Chemical Bond Strength Research Articles

Investigation of Zr-doped CaMnO<sub>3</sub> perovskite solid solution forhigh-temperature solar thermochemical energy storage

<p indent="0mm">CaMnO₃ perovskite oxide, composed of earth-abundant and cost-effective elements, could store and release heat by the redox reactions over a wide range of temperatures and partial pressures of oxygen (<italic>p</italic>(O₂)). CaMnO₃ perovskite oxide has been regarded as a promising candidate for thermochemical heat storage in concentrated solar power plants. However, CaMnO₃ perovskite oxide is partially decomposed during the high-temperature reduction process, resulting in the incomplete reoxidation of the material, which severely limits its thermochemical energy storage performance. Herein, Zr-doped CaMnO₃ has been proposed as a novel thermochemical energy storage material. Moreover, its phase structure, redox capability, energy storage performance, and solar spectral absorption properties have been thoroughly investigated through experimental and theoretical calculations. The results demonstrated that the CaZr_0.1Mn_0.9O₃ perovskite solid solution could achieve a fully reversible redox cycle while effectively inhibiting decomposition during reduction. However, with the further increase in the Zr doping ratio, the produced side phases would significantly reduce the redox performance of the material. The thermochemical energy storage density of CaZr_0.1Mn_0.9O₃ could reach 390.6±32.8 kJ/kg at 1000°C and <italic>p</italic>(O₂)=10⁻⁵ atm, and the effective doping of Zr could enhance the spectral absorption of CaMnO₃ in the near-infrared region. According to the calculation of density functional theory, the effective doping of Zr could enhance the B–O chemical bond strength of ABO₃ oxides, thus strengthening the structural stability and improving the thermochemical energy storage density. This study provides guidance for the development of perovskites for thermochemical energy storage.

Study on the Properties of Fiber/Matrix Interface and Strain-Hardening Behavior of ECC Containing Municipal Solid Waste Incineration (MSWI) Powder.

In this paper, the mechanical properties of micropowder cement mortar and engineered cementitious composites (ECC), using different processing municipal solid waste incineration (MSWI) as a mineral admixture, were investigated. Through the direct ball milling method, ball milling heat treatment method, water washing ball milling method and water washing heat treatment ball milling method, the mechanical properties of MSWI bottom slag-regenerated micropowder cement mortar were tested. Compared with other groups, the flexural strength and compressive strength of the specimen prepared by the MSWI after washing and heating (750 °C, 5 h) were the highest, which reached 82.0% and 81.0% of the reference group, respectively. Based on this treatment, a uniaxial tensile test, three-point bending test and single fiber pull-out test were then carried out to explore the relevant ECC properties containing MSWI. The strain-hardening index PSH of ECC was determined by analyzing the fracture toughness and elastic modulus, fiber/matrix interface chemical bond and friction bond strength of ECC containing MSWI. The results showed that the PSH index of ECC was higher when the treated powder content was 2.2, the w/c ratio was 0.25 and the fiber volume content was 2.0%. This led to higher tensile ductility, which made it easier to achieve stable multi-slit cracking and strain-hardening behavior.

A Experimental Study on Engineered Cementitious Composites (ECC) Incorporated with Sporosarcina pasteurii

Microbial-induced calcium carbonate precipitation (MICP) has been successfully applied to self-healing concrete with improved mechanical properties, while the performance of engineered cementitious composites (ECC) incorporated with bacteria is still lacking. In this study, Sporosarcina pasteurii, which has a strong ability to produce calcium carbonate, was introduced into engineered cementitious composites (ECC) with mechanical properties analyzed in detail. A multiscale study including compression, tension and fiber pullout tests was carried out to explore the Sporosarcina pasteurii incorporation effect on ECC mechanical properties. Compared with the control group, the compressive strength of S.p.-ECC specimens cured for 7 days was increased by almost 10% and the regained strength after self-healing was increased by 7.31%. Meanwhile, the initial crack strength and tensile strength of S.p.-ECC increased by 10.25% and 12.68%, respectively. Interestingly, the crack pattern of ECC was also improved to some extent, e.g., bacteria seemed to minimize crack width. The addition of bacteria failed to increase the ECC tensile strain, which remained at about 4%, in accordance with engineering practice. Finally, matrix/fiber interface properties were altered in S.p.-ECC with lower chemical bond and higher frictional bond strength. The results at the microscopic scale explain well the property improvements of ECC composites based on the fine-scale mechanical theory.

Molecular tailoring of MnO2 by bismuth doping to achieve aqueous zinc-ion battery with capacitor-level durability

The poor structural stability and sluggish reaction kinetic leading to rapid capacity fading are still major obstacles for MnO2 as aqueous zinc-ion batteries (ZIBs) cathode materials. Herein, to address this issue, a bismuth (Bi) doping technology is proposed for α-MnO2. A comprehensive study suggests that the Bi stabilizes the tunnel structure by Bi-O bond, enhance the electrical conductivity and weaken the chemical bond strength between the Zn2+ and O via distorting the electron cloud of O. The reaction mechanism analysis further confirms the highly stable phase structure of the Bi-doped α-MnO2 (BMO-6) during the Zn2+/H+ co-insertion/extraction. As result, the BMO-6 cathode manifests an amazing cycle life over 10000 cycles with a capacity retention of 93%, which surpasses the reported Mn-based cathodes in aqueous ZIBs as far as known. Meanwhile, the BMO-6 ZIB displays good rate performance and outstanding energy density of 486 Wh kg−1. Furthermore, the assembled flexible ZIB based on BMO-6 also exhibits excellent mechanical stability at different deformations. This work has proved that Bi doping can boost the electrochemical performance of MnO2 and open new horizons for exploiting other potential cathodes in aqueous ZIBs.

Boosting adsorption ability of toluene, phenol, and aniline pollutants in B38 borofullerene via doping process

Motivated by the enhancing interest of experimental research in synthesis of new borofullerenes, herein, density functional theory (DFT) calculations were employed to determine impact of substitutional doping with foreign atoms on the structural, electronic, and chemical properties of all-boron B38 nanocage. Accordingly, the transition metals of Mn, Fe, Co, and Ni are selected and the interplay between the chemical reactivity and bond strength of the formed nanocages is evaluated. Taking inspiration from the results on the role of dopants in the electronic properties of pristine nanocage, we also attempt to explore the adsorption capability of nanocages toward three aromatic pollutants viz. toluene, phenol, and aniline. After calculating the adsorption characteristics, it is found that each pollutant is strongly adsorbed over all examined doped nanocages, outperforming the pristine B38. Furthermore, the energy values for the adsorption of mentioned pollutants over doped nanocages have been indicated to be in the range of about −126 to −283 kJ mol−1, depending on the type of dopant. Consequently, our results indicate that substitutional doping as an efficient strategy for modulation of the molecular arrangement possesses superior performance on the electronic structure of B38, which can provide opportunities to design suitable adsorbents for capturing harmful pollutants.

Reconstruction and structural transition at metal/diamond interfaces

Abstract Based on density-functional calculations, interfacial reconstruction and structural transition at diamond(111)/M/copper (M = Ag, Cu, Ni, Co) interfaces are studied by analyzing the atomistic structures of the interfaces. Tuning the strength of chemical bonds across the interfacial plane (out-of-plane), we show that interfacial reconstruction happens as a result of competition between the out-of-plane chemical bonds and the in-plane bonds within the diamond substrate. A relatively weak out-of-plane bond may easily lead to reconstruction of interfacial structures. A structural transition from one-dangling-bond- to three-dangling-bond-terminated interface is also observed as the out-of-plane bond is sufficiently strong, which leads to a dramatic enhancement of the adhesion of the interface.

Angle-dependent strength of a single chemical bond by stereographic force spectroscopy.

A wealth of chemical bonds and polymers have been studied with single-molecule force spectroscopy, usually by applying a force perpendicular to the anchoring surface. However, the direction-dependence of the bond strength lacks fundamental understanding. Here we establish stereographic force spectroscopy to study the single-bond strength for various pulling angles. Surprisingly, we find that the apparent bond strength increases with increasing pulling angle relative to the anchoring surface normal, indicating a sturdy mechanical anisotropy of a chemical bond. This finding can be rationalized by a fixed pathway for the rupture of the bond, resulting in an effective projection of the applied pulling force onto a nearly fixed rupture direction. Our study is fundamental for the molecular understanding of the role of the direction of force application in molecular adhesion and friction. It is also a prerequisite for the nanoscale tailoring of the anisotropic strength of bottom-up designed materials.

Sliding wear behaviour of Ni-5 %Al coating deposited by detonation spray on IN718

Ni-5 %Al metallic coating was deposited on Nickel-based superalloy (IN718) specimens using the detonation spray coating (DSC) method. Detonation spraying yielded coating with extreme chemical bond strength, hardness, and less porosity. The microstructure, microhardness, and room temperature pin-on-disc sliding wear behavior of the Ni-5 %Al coating and the as-received IN718 superalloy were evaluated. Sliding wear tests were done at room temperature (25 °C), under different loading conditions (6 N and 10 N), using an alumina (Al2O3) ball-on-disk tribometer and friction coefficients were measured. The study of worn surfaces conducted by SEM indicated that both Ni-5 %Al coating and the substrate suffered significant abrasive wear with occasional adhesion and spalling of the coating. The 3D topography of the wear track was examined by a 3D non-contact profilometer, which enabled the quantification of the wear. The friction coefficient values of the tests and the wear in terms of mass loss were in good correlation.

The mechanism for the enhanced mechanical and piezoelectricity properties of La2O3 doped BaTiO3 ceramic coatings prepared by plasma spray

Lanthanum oxide (La2O3) doped Barium titanate (BaTiO3) ceramic coatings were obtained by plasma spray. The detail discussion was conducted on the characteristic morphologies (microstructure and cross section of BaTiO3 +xwt% La2O3 composite powders) and phase. In order to further study the reasons for the improvement of its mechanical properties. Using first-principles calculation methods, theoretically analyze the mechanism of its mechanical performance improvement. The piezoelectric coefficient observed in the BaTiO3 + xwt%La2O3 coatings in this study. The reason for the increase in relative microhardness is the elimination of microcracks and pores, which increases the tendency of covalent bonds between atoms to form bonds, shortens the bond length of chemical bonds, and improves the bond energy and strength of chemical bonds. The piezoelectric performance simulation result is consistent with the experimental result. Adding La2O3 to the BaTiO3 ceramic coating can significantly improve the piezoelectric performance.

MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra.

The ‘inverse problem’ of mass spectrometric molecular identification (‘given a mass spectrum, calculate/predict the 2D structure of the molecule whence it came’) is largely unsolved, and is especially acute in metabolomics where many small molecules remain unidentified. This is largely because the number of experimentally available electrospray mass spectra of small molecules is quite limited. However, the forward problem (‘calculate a small molecule’s likely fragmentation and hence at least some of its mass spectrum from its structure alone’) is much more tractable, because the strengths of different chemical bonds are roughly known. This kind of molecular identification problem may be cast as a language translation problem in which the source language is a list of high-resolution mass spectral peaks and the ‘translation’ a representation (for instance in SMILES) of the molecule. It is thus suitable for attack using the deep neural networks known as transformers. We here present MassGenie, a method that uses a transformer-based deep neural network, trained on ~6 million chemical structures with augmented SMILES encoding and their paired molecular fragments as generated in silico, explicitly including the protonated molecular ion. This architecture (containing some 400 million elements) is used to predict the structure of a molecule from the various fragments that may be expected to be observed when some of its bonds are broken. Despite being given essentially no detailed nor explicit rules about molecular fragmentation methods, isotope patterns, rearrangements, neutral losses, and the like, MassGenie learns the effective properties of the mass spectral fragment and valency space, and can generate candidate molecular structures that are very close or identical to those of the ‘true’ molecules. We also use VAE-Sim, a previously published variational autoencoder, to generate candidate molecules that are ‘similar’ to the top hit. In addition to using the ‘top hits’ directly, we can produce a rank order of these by ‘round-tripping’ candidate molecules and comparing them with the true molecules, where known. As a proof of principle, we confine ourselves to positive electrospray mass spectra from molecules with a molecular mass of 500Da or lower, including those in the last CASMI challenge (for which the results are known), getting 49/93 (53%) precisely correct. The transformer method, applied here for the first time to mass spectral interpretation, works extremely effectively both for mass spectra generated in silico and on experimentally obtained mass spectra from pure compounds. It seems to act as a Las Vegas algorithm, in that it either gives the correct answer or simply states that it cannot find one. The ability to create and to ‘learn’ millions of fragmentation patterns in silico, and therefrom generate candidate structures (that do not have to be in existing libraries) directly, thus opens up entirely the field of de novo small molecule structure prediction from experimental mass spectra.

Effect of COF Presence on DNA Molecular Interactions: A QM/MM and MD Simulations Study

AbstractFour models of DNA including A‐DNA, B‐DNA, Triple helix‐DNA (T‐DNA), and Z‐DNA along with a COF molecule were prepared. Molecular dynamics simulations were performed on all DNAs and their complex with COF (embedded DNAs in the central hole of COF). Comprehensive analyses such as Base pair distance, hydrogen bonding, Van der Waals, and electrostatic interaction numbers were carried out to investigate the effect of COF molecule on DNA intermolecular interactions. Furthermore, quantum‐mechanics studies were performed to explore the accuracy of intermolecular and intramolecular interactions. The results obtained based on promolecular density in two selected base pairs. Noncovalent interaction (NCI) analysis to investigate the strength of hydrogen bonds, Van der Waals interactions, and steric effect was done. Density Overlap Regions Indicator (DORI) analysis was accomplished to study the accuracy of π‐π stacking interactions between adjacent bases. δg functions were evaluated to analyze the strength of chemical bonds, hydrogen bonds and also the steric effect. The average distance between O…H, N…H, and H…O that are contributing in H‐bonding are ∼1.88, 1.97, and 1.95 Å in A‐DNA, respectively. Also, the average number of H‐bonding numbers in A‐DNA calculated to be 14.43 and 13.04 in pure and complex form. All the achieved results showed that designed COF did not make any changes in DNA structures, but in some cases, had some effects on the interactions of DNAs.

Study on Chemical Bond Dissociation and the Removal of Oxygen-Containing Functional Groups of Low-Rank Coal during Hydrothermal Carbonization: DFT Calculations.

The molecular structure model of lignite was constructed, and the dissociation and removal mechanism of different C–O bonds and oxygen-containing functional groups was investigated using density functional theory (DFT) calculations. First, the bond order and bond dissociation enthalpy (BDE) were analyzed to predict the strength of different chemical bonds, and differences in the BDE and bond order were related to the difference in the fragment structure and electronic effects. The first group to break during hydrothermal carbonization (HTC) is the methyl of Ph(CO)O–CH3, followed by the C–O of CH3–OC(O)OH; the hydroxyl in Ph–OH is the most thermally stable group, followed by the hydroxyl in CH3OC(O)–OH. In addition, the orbital localization analysis has also been carried out. All three chemical bonds of Ph(CO)OCH3 show the characteristics of σ bond, while Ph(C=O)OCH3 and Ph(CO)–OCH3 with the Mayer bond order (MBO) greater than 1 also contains certain π bond characteristics. The lignite van der Waals (vdW) surface electrostatic potential (ESP) was constructed and visualized, and the results showed that the oxygen-containing functional groups mainly contributed to the area with a large absolute ESP. Finally, weak interactions between water molecules and lignite at different sites were described by independent gradient model (IGM) analysis. Models A, B, and E formed weak interactions with the hydrogen bond as the main force; model E showed the weakest hydrogen bond, while model C showed van der Waals interaction as the dominant force. In addition, some steric effect was also observed in model D.

Proton transfer reaction of the formamide and its derivatives characterized via the Kohn–Sham potential

Proton transfer (PT) reaction plays a critical role in chemical and biological processes, but the bond breaking and forming during the reaction as well as the charge change are rarely concerned. In this work, Kohn–Sham potential (KSpot) quantum chemical topology (QCT) method is used to partition a molecule into respective atomic basins and yield a new atomic charge model. The bond critical point and Dpb gained from KSpot are applied to determine chemical bond forming and estimate the bond strength, respectively. Moreover, KSpot molecular face has been defined by the KSpot that presents the reactive site of formamide during PT process. In general, KSpot method can present the charge change, visualize reactive sites and quantify the chemical bond strength in the PT process, which can be considered as the cornerstone for other chemical reactions.

First-principles explorations of mechanical, electronic and thermodynamic properties of (o, h)-AlCu3 compounds

In this study, we used the first-principles calculation method based on density functional theory to study systematically the mechanical, electronic and thermodynamic properties of o-AlCu3 and h-AlCu3 compounds. The calculation results of formation enthalpies showed that these two compounds are thermodynamically stable, and o-AlCu3 has higher thermodynamic stability. The calculation results of the elastic constants of single-crystal and polycrystalline showed that both o-AlCu3 and h-AlCu3 have mechanical stability, and they are all ductile materials, the order of ductile is: h-AlCu3 > o-AlCu3. The discussion of anisotropic elasticity showed that both o-AlCu3 and h-AlCu3 are anisotropic, and the order of anisotropy is: o-AlCu3 > h-AlCu3. The research of electronic properties showed that both o-AlCu3 and h-AlCu3 are metallic, and the Al-Cu chemical bond strength of o-AlCu3 is higher than that of h-AlCu3. Finally, the quasi-harmonic Debye model is used to calculate and analyze the thermodynamic properties, such as the heat capacity, thermal expansion coefficient, Debye temperature and Grüneisen parameter, in the pressure range of 0–40 GPa and the temperature range of 0–800 K. To the best of our knowledge, this work represents the first theoretical prediction on o-AlCu3 and h-AlCu3 compounds and needs to be verified by experiments.

Structural and chemical mechanisms governing stability of inorganic Janus nanotubes

One-dimensional inorganic nanotubes hold promise for technological applications due to their distinct physical/chemical properties, but so far advancements have been hampered by difficulties in producing single-wall nanotubes with a well-defined radius. In this work we investigate, based on Density Functional Theory (DFT), the formation mechanism of 135 different inorganic nanotubes formed by the intrinsic self-rolling driving force found in asymmetric 2D Janus sheets. We show that for isovalent Janus sheets, the lattice mismatch between inner and outer atomic layers is the driving force behind the nanotube formation, while in the non-isovalent case it is governed by the difference in chemical bond strength of the inner and outer layer leading to steric effects. From our pool of candidate structures we have identified more than 100 tubes with a preferred radius below 35 Å, which we hypothesize can display distinctive properties compared to their parent 2D monolayers. Simple descriptors have been identified to accelerate the discovery of small-radius tubes and a Bayesian regression approach has been implemented to assess the uncertainty in our predictions on the radius.

First-principles simulation of oxygen evolution reaction (OER) catalytic performance of IrO2 bulk-like structures: Nanosphere, nanowire and nanotube

Developing high-efficiency IrO2 catalysts is significant but still challenging in water electrolyzers. Using density functional theory (DFT) calculations, a theoretical study of the OER electrocatalyst was conducted with three types of IrO2 bulk-like surface structures: nanowires, nanospheres and nanotubes. The electron transfer and distribution between adjacent Ir and O atoms were evaluated using Mulliken charge analysis. IrO2 nanowires have strong chemical bond strength with a large average bond population of 0.375 and electron transfer of −0.56/1.109e. Compared with nanospheres, the overpotential of nanowires (0.387 V) is only 63.4% of that of rutile IrO2 bulk. IrO2 nanotubes presented the largest specific-surface area, and its active atom utilization rate was 2–3 times that of nanospheres. By modifying the electronic structure and oxygen adsorption strength of catalysts, the one-dimensional bulk-like structure can effectively enhance the electrochemical stability and catalytic activity. IrO2 nanowires showed the best overall performance due to their stable bond structure and outstanding catalytic activity. Although nanotubes with hollow structures exhibited higher potential, the stability was relativity poor due to the low bond population (0.354). This research theoretically analyzes catalytic and electronic performance of IrO2 catalysts from unit cells to bulk-like surface structures and provides guidance for electrocatalyst development.

Enhanced thermal stability and crystallization of nonlinear optical RExBi2-xZnB2O7 in RE2O3-added bismuth zinc borate glasses (RE: Eu, Gd, Er)

The effect of the substitution of RE2O3 (5 mol%) (RE: Eu, Gd, Er) for Bi2O3 on the thermal stability and crystallization behavior in 33.3Bi2O3-33.3ZnO-33.3B2O3 glass with a low temperature melting feature was clarified to explore new potentials of Bi2O3-based glasses and glass-ceramics. Both the glass transition and crystallization temperatures increased with the RE2O3 addition and the thermal stability against crystallization was enhanced. This is due to the increase in the average chemical bond strength of the glasses with the addition of RE2O3. The formation of RE3+-doped nonlinear optical RExBi2-xZnB2O7 crystals was confirmed from X-ray diffraction analyses and photoluminescence spectra in the glass crystallization. RE2O3 oxides added to the glass do not act as nucleating agents for the crystallization of Bi2ZnB2O7. The photoluminescence related to the 4f-4f transitions of Eu3+ and Er3+ was clearly observed even in the glasses with a relatively large amount (33.3 mol%) of B2O3, suggesting that RE3+ ions are present in the environment of Bi2O3-rich region with low phonon energies.

Effect of Protein-Based Treatment on Chemical Composition, Hardness and Bond Strength of Remineralized Enamel.

This study evaluated the chemical composition and microhardness of human enamel treated with an Enamel Matrix Derivative (EMD) solution, and the bond strength between composite resin and this enamel. Thirty human enamel samples were randomly divided into three groups: Untouched Enamel (UE), Demineralized Enamel (DE) and Demineralized Enamel Treated with EMD (ET). DE and ET groups were subjected to acid challenge and ET treated with EMD (EMD was directly applied over conditioned enamel and left for 15 min). Samples from each group (n=4) had chemical composition assessed through to attenuated total reflectance Fourier transform infrared (ATR-FTIR). Knoop microhardness of enamel samples from each group (n=10) was measured. For the microshear bond strength, the samples were etched for 30 s, and the adhesive was applied and cured for 10 s. Two matrixes were placed on the samples, filled with Filtek Z350 XT composite and cured for 20 s, each. The matrix was removed, and the microshear bond strength of each group (n=10) was tested. Data were subjected to Kruskal-Wallis test (for microhardness), to analysis of variance and to Tukey's test (for microshear bond strength); (α=0.05). FTIR results have shown phosphate (hydroxyapatite indicator) in 900-1200 cm-1 bands in the UE and ET groups, which were different from the DE group. Microhardness and microshear analyses recorded higher statistical values for the UE and ET groups than for DE. EMD application to demineralized enamel seems to have remineralized the enamel; thus, the microhardness and bond strength was similar between UE and ET groups.

Synchronizing chemistry, quantum mechanics and radioactivity in a revolutionary renewed atom model. Part 1: the elements where Z is 1-10 (H, He, Li, Be, B, C, N, O, F, Ne).

The alliance between the reigning quantum mechanical atom model and chemistry still is a difficult one when it comes to an adequate explanation for e.g. the covalent bond, inversion, chirality, or hydrogen bonds. Overruling Rutherford's extrapolation from gold to hydrogen, an atom model is described that provides improved answers to these phenomena while the hybridization principle and the covalent bond are re-defined by giving neutrons a much more prominent role than they have in the reigning quantum mechanical model. It is postulated that a neutron is not just there to assist the strong force in surpassing the repulsive coulombic forces between the protons in the nucleus, but the neutron is the modus operandi of molecular geometry, and as such plays a part in chemical reactivity, bond length and bond strength.

The LC-MS and GC-MS Based Isotopic Abundance Ratio Analysis of the Consciousness Energy Healing Treated Silver Sulfadiazine

Silver sulfadiazine is a topical antibiotic helps to prevent and treat wound infections in patients with severe burns. This research was performed to evaluate the impact of the Trivedi Effect®- Consciousness Energy Healing Treatment on the structural properties and the isotopic abundance ratio of silver sulfadiazine using spectroscopic and chromatographic techniques. The test sample silver sulfadiazine sample was divided into control and treated parts. Only the treated part of silver sulfadiazine was received the Trivedi Effect®-Consciousness Energy Healing Treatment remotely by a renowned Biofield Energy Healer, Dahryn Trivedi. The LC-MS spectra of both the samples at retention time (Rt ) 4.1 minutes exhibited the mass of the protonated molecular ion peak at m/z 251.08 (calculated for C10H11N4 O2 S+ , 251.06) was found to be sulfadiazine. The chromatographic peak area of the treated silver sulfadiazine was significantly increased by 20.35% compared to the control sample. The result indicated that the solubility profile of the treated silver sulfadiazine must have increased significantly after the Biofield Energy Treatment compared with the control sample. The LC-MS based isotopic abundance ratio of PM+1/PM in the treated sulfadiazine was significantly increased by 31.88% compared with the control sample. Similarly, the GC-MS based isotopic abundance ratio of PM+1/PM and PM+2/PM in the treated sulfadiazine was significantly increased by 9.74% and 15.13%, respectively compared with the control sample. Hence, 13C, 2 H, 15N, 17O, 33S, and 34S contributions from (C7 H9 N2 O2 S)+ to m/z 186 and 187 in the treated sulfadiazine were significantly increased compared to the control sample. Thus, the isotopic abundance ratios of PM+1/PM (2 H/1 H or 13C/12C or 15N/14N or 17O/16O or 33S/32S) and PM+2/PM (34S/32S) in the treated sulfadiazine were significantly increased compared to the control sample. The changes in isotopic abundance and peak area might be due to changes in nuclei possibly via the interference of neutrino particles controlled by the Trivedi Effect®-Consciousness Energy Healing Treatment. The increased isotopic abundance ratio of the treated silver sulfadiazine might improve the chemical bond strength, led to increase the stability in the body. This novel silver sulfadiazine would be more efficacious in pharmaceutical formulations which might offer better solubility, bioavailability, and therapeutic response against bacterial infections, superficial and partial thickness burn injuries, etc.