Experimental Corroboration Research Articles

Exploring the Interaction of Human α-Synuclein with Polyethylene Nanoplastics: Insights from Computational Modeling and Experimental Corroboration.

Plastics, particularly microplastics (MPs) and nanoplastics (NP), have become major environmental and health concerns due to their high chemical stability. The highly hydrophobic plastics enter living organisms through reversible interactions with biomolecules, forming biocoronas. Following recent reports on plastics breaching the blood-brain barrier, the binding behavior of human α-synuclein (hαSn) with polyethylene-based (PE) plastics was evaluated by using molecular dynamics simulations and experimental methods. The results provided three important findings: (i) hαSn transitions from an open helical to a compact conformation, enhancing intramolecular interactions, (ii) nonoxidized PE NPs (NPnonox) rapidly adsorb hαSn, as supported by experimental data from dynamic light scattering and adsorption isotherms, altering its structure, and (iii) the oxidized NP (NPox) failed to capture hαSn. These interactions were dominated by the N-terminal domain of hαSn, with major contributions from hydrophobic amino acids. These findings raise concerns about the potential pharmacological effects of NP-protein interactions on human health.

A Diagnostic Machine Learning Algorithm for Air Brakes in Commercial Vehicles⁎

To safely introduce any level of autonomy to trucks, the health of their brake systems needs to be monitored continuously. Out-of-adjustment push rods and leakages in the air brake system are two major reasons for increased braking distances in trucks, and result in safety violations. Air leakages can occur due to small cracks or loose/improperly ft couplings which do not affect the overall braking capacity but contribute greatly to increasing the braking lag and reducing the maximum braking torque at the wheels. Similarly, an increased stroke of push rod leads to a larger delay in brake response and a smaller value of the brake torque at the wheels. Currently, the condition of an air brake system is inspected manually by measuring the push rod offset, checking the couplings and hoses of the system for air leakages. These inspections are highly labor intensive, subjective, time consuming and do not accurately quantify how adversely the braking system is affected. Having an on-board diagnostic device that can monitor the health of air brakes would be crucial in the prevention of road accidents, especially when considering any level of automation and comply with FMSCA safety requirements. The focus of this paper is to aid the development of such a diagnostic system that facilitates enforcement and pre-trip inspections and continuous on-board monitoring of trucks through the development of a model for its multi-chamber braking system; this model can be used to estimate the severity of leakage and the push rod stroke using real time brake pressure transients. A machine learning algorithm for estimating the air leakage in the air brake system and its experimental corroboration is presented in this paper.

Molecular sieving of L-arginine over L-lysine by α-Hydroxy acid functionalized ZnII-luminescent framework from aqueous medium and other biofluids: Experimental and DFT corroboration with logic gate construction

The present work exemplifies MOF as a unique functional scaffold for ultrasensitive monitoring of L-Arginine (Arg) over L-Lysine (Lys) and other amino acids from purely aqueous medium. In this context, a thermostable ZnII-functionalized MOF (viz. ZnII-CA-LMOF) has been synthesized utilizing α-hydroxy acid containing aliphatic ligand like citric acid (CA). The MOF provides an excellent platform for optical speciation of Arg over other competitive biohazards via “turn-on” fluorescence response with a limit of detection 3.3 ppb (R = 0.99) with response time of ∼90 s. Interestingly, the Zn-MOF has been exploited for detecting Arg from complex bio-fluids which are of immense clinical importance. Additionally, DFT studies shed light on the role of SBUs in non-covalent interaction between CA and targeted bio-hazards in a confined space which results in desired molecular sieving amongst different bio-analytes. Moreover, the host–guest interactions through “turn-off-on-off” have been utilized for fabricating molecular electronics. In brief, the demand of formulizing a single platform to rationalize the structure-performance synergies to fabricate smarter material has been properly emphasized in the current work.

AIEE activated Pyrene-Dansyl coupled FRET probe for discriminating detection of lethal Cu2+ and CN–: Bio-Imaging, DNA binding studies and prompt prognosis of Menke’s disease

In present work a pyrene-dansyl dyad functionalized chemoreceptor, DPNS is unveiled towards ultrasensitive chromo-fluorogenic detection of heavy and transition metal ions (HTMs) like Cu2+ and pernicious CN–. It demonstrated distinct chromogenic responses; colorless to faint yellow (Cu2+), intense yellow (CN–) from contaminant aqueous sources. Cu2+ instigated alteration in DPNS fluorescence from feeble emission to sparkling green with LOD: 37.75 × 10-9 M, cyan emission for CN– having LOD 61.51 × 10-8M. In particular, chemical scaffold of DPNS consists of –C = N, O = S = O donor entitities that escalates overall polarity thereby providing an excellent binding pocket for simultaneous Cu2+ and CN– recognition with distinct photophysical signaling. Impressively, presence of two fluorophoric moieties triggers FRET, CHEF phenomenon. The conceivable host:guest interactive pathway is manifested by LMCT- FRET-PET-CHEF, C = N isomerization for Cu2+ and ICT-H-bonding for CN–. An exquisite experimental and theoretical corroboration further strengthened the recognition phenomenon. In addition owing to pyrene excimer formation, DPNS exhibits AIEE with increasing water fraction. Notably, DPNS could successfully undergo intracellular tracking of Cu2+ in Tecoma Stans, Peperomia Pellucida. DPNS•••Cu2+ adduct displayed significant intercalative DNA binding activity rationalized by spectral investigation, competitive EB binding, viscosity study. The overall findings, excellent properties endows DPNS a potential contender towards discriminative detection of Cu2+ and CN– like toxic industrial contaminants.

A hybrid calibration scheme for developing hydrogen enrichment ratio control map using RSM and ANN technique to enhance the characteristics of an ammonia biodiesel RCCI combustion engine

This investigation aims to optimally attune hydrogen enrichment ratio for an ammonia biodiesel powered RCCI engine using RSM and ANN techniques. Conventionally, optimal mapping is accomplished through trial-and-error experimentation. In this study, an innovative model-based calibration method for developing an optimal hydrogen ratio map is suggested. The LRF energy share of ammonia in premixing is set at 40%, the hydrogen enrichment is varied from 5 to 20%, and the rest of the energy is biodiesel as HRF. Based on the experimental inputs, the RSM-based optimization has established an ideal hydrogen enrichment ratio of 14.77%, 18.75%, 18.93%, 17.94%, 16.43%, 14.42%, 15.58%, 13.23%, and 17.12% for intermittent load conditions of 20%, 30%, 40%, 50%, 60%, 70%, 80%, 90%, and 100%. A simultaneous decrease in smoke and BSEC is obtained, with a little penalty in NOx emissions at optimal conditions. RSM optimization with a desirability level of 97.9% was conducted over three trials for authentication using ANN. Based on the results, ANN predicts all the replies with R > 0.96. The experimental corroboration of the predicted variables of the optimized map for 50% load has an error between 1.40% and 4.95%, which are within the acceptable range.

Magnetically tunable ultralow threshold optical bistability by exciting LRSPR in InAs/graphene layers at the terahertz region.

With the experimental corroboration employing a transfer matrix method, an analytical observation of optical bistability using long-range surface plasmon resonance (LRSPR) through the external magnetic field is presented for a very low threshold value. The proposed analytical method has been verified with the reported experimental data provided by Liu etal. [Curr. Appl. Phys.29, 66 (2021)1567-173910.1016/j.cap.2021.06.003]. Now theoretical analysis is further extended in the proposed multilayered structure comprising an InAs layer sandwiched between two graphene layers, whose electromagnetic response at 2THz can be regulated by employing a magnetic field and may tune the optical bistability without modifying the geometry or the characteristics of the structure. The observed threshold intensity for the switch-up is 6.6615×104 W/c m 2 at 0.001T; thus, this analytical approach is able to achieve 2 orders lower threshold for magnetically tunable upswitching of the optical bistable process. This suggested magnetically adjustable optical bistable arrangement gives a possibility for the comprehension of optical logic gates, optic memory, opto-transistors, and switches at a low switching threshold due to extraordinary features of the composite layers due to local field amplification of the graphene layer.

Dynamic modelling, simulation and theoretical performance analysis of Volatile Organic Compound (VOC) abatement systems in the pharma industry

Volatile Organic Compound (VOC) use is extremely widespread in the pharmaceutical industry, posing great risks, as potential organic gas releases are harmful to both environment and human health. Fixed-bed columns containing Activated Carbon (AC) or other adsorbents selectively remove VOCs from gas effluent streams. Nevertheless, adsorbing beds can be quickly and/or irregularly saturated, due to simultaneous and significant variations of flowrates and mixture compositions. This paper presents the development and implementation of a dynamic, non-isothermal adsorption model used for studying binary VOC mixture adsorption on industrial AC beds for a wide variety of structural and operating conditions. A scenario-based investigation of binary mixture behaviour examines (via multiple dynamic simulations, experimental corroboration and predictive formulas) the effect of key parameter changes on bed performance. Theoretical bed performance analysis (employing Glueckauf hodographs) has been employed to provide valuable insight into nonisothermal VOC capture bed operation, for both clean and used beds.

Architectural optimization and feature learning for high-dimensional time series datasets

As our ability to sense increases, we are experiencing a transition from data-poor problems, in which the central issue is a lack of relevant data, to data-rich problems, in which the central issue is to identify a few relevant features in a sea of observations. Motivated by applications in gravitational-wave astrophysics, we study a problem in which the goal is to predict the presence of transient noise artifacts in a gravitational-wave detector from a rich collection of measurements from the detector and its environment. We argue that feature learning---in which relevant features are optimized from data---is critical to achieving high accuracy. We introduce models that reduce the error rate by over 60% compared to the previous state of the art, which used fixed, hand-crafted features. Feature learning is useful not only because it can improve performance on prediction tasks; the results provide valuable information about patterns associated with phenomena of interest that would otherwise be impossible to discover. In our motivating application, features found to be associated with transient noise provide diagnostic information about its origin and suggest mitigation strategies. Learning in such a high-dimensional setting is challenging. Through experiments with a variety of architectures, we identify two key factors in high-performing models: sparsity, for selecting relevant variables within the high-dimensional observations, and depth, which confers flexibility for handling complex interactions and robustness with respect to temporal variations. We illustrate their significance through a systematic series of experiments on real gravitational-wave detector data. Our results provide experimental corroboration of common assumptions in the machine-learning community and have direct applicability to improving our ability to sense gravitational waves, as well as to a wide variety of problem settings with similarly high-dimensional, noisy, or partly irrelevant data.

Targeting Leishmania donovani sterol methyltransferase for leads using pharmacophore modeling and computational molecular mechanics studies

The mortalities and morbidities of leishmaniasis are high and the disease is under reported globally. The absence of vaccines coupled with chemotherapeutic challenges including chemoresistance, scarcity and toxicity have made the fight against leishmaniasis an arduous one. Furthermore, the treatment options currently available for leishmaniasis are long and sometimes require hospitalization. There is therefore the need to explore novel pathways to identify new compounds with alternative mechanisms of action. A pharmacophore-based screening was employed in identifying new potential inhibitors with unique scaffolds targeting Leishmania donovani sterol methyltransferase (LdSMT), a key enzyme for ergosterol biosynthesis. To accomplish this, 22,26-azasterol, a known inhibitor of this target and five other derivatives with IC50 less than 10 μM were used to generate a robust 3D pharmacophore model via LigandScout with a score of 0.9144. The validated model was used as a query to screen a library of 69034 natural products obtained from the InterBioScreen Limited. Compounds with pharmacophore fit scores above 50 were docked against the modelled structure of LdSMT. Altogether, ten molecules with binding energies between −7 and −11 kcal/mol were identified as potential bioactive molecules. The molecular dynamics simulation and molecular mechanics Poisson–Boltzmann surface area (MM-PBSA) calculations reinforced the results from the docking studies suggesting the selected hits bind effectively at the active sites of the target protein. The compounds were observed to bind in the S-adenosine-L-homocysteine binding pocket of the modelled LdSMT with Trp208 and Val330 predicted as key residues critical for ligand binding. Prediction of biological activity with probability of activity (Pa) greater than probability of inactivity (Pi) revealed that seven compounds (STOCKIN-54848, STOCKIN-89115, STOCKIN-68720, STOCKIN-44724, STOCKIN-76694, STOCKIN-47277 and STOCKIN-95708) possessed antileishmanial properties. STOCKIN-89115, STOCKIN-68720, STOCKIN-44724, and STOCKIN-47277 were predicted to be membrane permeability inhibitors, while all ten hit compounds possessed antineoplastic activity. The compounds have the propensity of disrupting ergosterol biosynthesis leading to the suppression of growth in Leishmania donovani. The compounds were predicted to have good absorption, distribution, metabolism, excretion and toxicity profiles, hence their potential antileishmanial activity can be exploited upon experimental corroboration.

Blood-seeking horseflies prefer vessel-imitating temperature gradients on host-mimicking targets: Experimental corroboration of a new explanation of the visual unattractiveness of zebras to tabanids

Several hypotheses tried to explain the advantages of zebra stripes. According to the most recent explanation, since the borderlines of sunlit white and black stripes can hamper thermal vessel detection by blood-seeking female horseflies, striped host animals are unattractive to these parasites which prefer hosts with a homogeneous coat, on which the temperature gradients above blood vessels can be detected more easily. This hypothesis has been tested in a field experiment with horseflies walking on a grey barrel with thin black stripes which were slightly warmer than their grey surroundings in sunshine, while in shade both areas had practically the same temperature. To eliminate the multiple (optical and thermal) cues of this test target, we repeated this experiment with improved test surfaces: we attracted horseflies by water- or host-imitating homogeneous black test surfaces, beneath which a heatable wire ran. When heated, this invisible and mechanically impalpable wire imitated thermally the slightly warmer subsurface blood vessels, otherwise it was thermally imperceptible. We measured the times spent by landed and walking horseflies on the test surface parts with and without underlying heated or unheated wire. We found that walking female and male horseflies had no preference for any (wired or wireless) area of the water-imitating horizontal plane test surface on the ground, independent of the temperature (heated or unheated) of the underlying wire. These horseflies looked for water, rather than a host. On the other hand, in the case of host-imitating test surfaces, female horseflies preferred the thin surface regions above the wire only if it was heated and thus warmer than its surroundings. This behaviour can be explained exclusively with the higher temperature of the wire given the lack of other sensorial cues. Our results prove the thermal vessel recognition of female horseflies and support the idea that sunlit zebra stripes impede the thermal detection of a host‘s vessels by blood-seeking horseflies, the consequence of which is the visual (non-thermal) unattractiveness of zebras to horseflies.

Genome mining for bioprospecting of biosynthetic genes clusters for bacterial metabolites potentially useful in agroecological production en la producción agroecológica

Objective. To describe the relevance and some tools of genome mining to explore genetic and molecular determinants encoded in bacterial genomes to address agronomic problems. Design/Methodology/Approach. Literature review of the importance of bacteria as a reservoir of biosynthetic gene clusters (BGC), involved in the production of metabolites with biological activity as anti-pathogens; and of genome mining as a tool to reveal this potential. Results. Bioinformatic tools are useful for the exploration of bacterial genomes and have the potential to contribute to the resolution of agronomy problems. For example, the use of bacteria, their genes and metabolites for the control of phytopathogens that attack crops of global importance. Likewise, the limitations of the genome mining and their coupling with other experimental approaches to achieve bioprospecting of BGC or their related metabolites are summarized. Limitations of the study/implications: Although the use of genome mining to explore the potential of bacteria is a very powerful approach, it will always be necessary the experimental corroboration at the laboratory level, to confirm the hypotheses generated by bioinformatics tools. Findings/conclusions: Genome mining allows to take advantage of the large number of bacterial genomes currently sequenced, that are available in public databases to understand the genetic bases of their biological activities. As well as for the heterologous expression of biosynthetic genes, or the identification and purification of new metabolites. The foregoing with the objective of contributing with more effective and environmentally friendly solutions that address agronomic problems.

Cu(II)-Catalyzed Unsymmetrical Dioxidation of gem-Difluoroalkenes to Generate α,α-Difluorinated-α-phenoxyketones.

A Cu-based catalyst system convergently couples gem-difluoroalkenes with phenols under aerobic conditions to deliver α,α-difluorinated-α-phenoxyketones, an unstudied hybrid fluorinated functional group. Composed of α,α-difluorinated ketone and α,α-difluorinated ether moieties, these compounds have rarely been reported as a synthetic intermediate. Computational predictions and later experimental corroboration suggest that the phenoxy-substituted fluorinated ketone's sp3-hybridized hydrate form is energetically favored relative to the respective nonether variant and that perturbation of the electronic character of the ketone can further encourage the formation of the hydrate. The more facile conversion between ketone and hydrate forms suggests that analogues should readily covalently inhibit proteases and other enzymes. Further functionalization of the ketone group enables access to other useful fluorinated functional groups.

Experimental and theoretical characterization of x-ray induced excitons, magnons, and dd transitions in MoO3 nanosheets

The Mo $4d$ shell in the ground state of ${\mathrm{MoO}}_{3}$ is widely believed to be unoccupied. However, this assumption lacks clear experimental and theoretical corroboration. Using x-ray absorption and emission spectroscopy along with resonant inelastic x-ray scattering, we provide experimental evidence of two-dimensional ${\mathrm{MoO}}_{3}$ exhibiting enhanced many-body effects due to its reduced dimensionality. The observed phenomena include many-body effects such as $dd$ and spin-flip excitations, valence-hole and excited electron, and core-hole and excited electron bound excitonic states. Moreover, density functional theory and ligand field-based calculations were performed to investigate and interpret the experimental spectra. Considering that these many-body effects can only be observed by the interaction of x-ray photons with ${\mathrm{MoO}}_{3}$ if the $4d$ state is partially occupied, our experimental and theoretical approach clearly demonstrates a partial occupation of the Mo $4d$ state, refuting the assumption that the ground state is a $4{d}^{0}$ state. The Mo d occupancy is $4{d}^{3.36}$ and $4{d}^{3.53}$ determined with two different theoretical approaches (density functional theory and multiplet, respectively) and the computed spectra agree very well with our measurements further supporting this finding. Both the two- and three-dimensional samples exhibit strong core-hole effects that reduce the absorption onset at both the Mo ${M}_{2,3}$ and O $K$ edge. The band gap of the three-dimensional sample is experimentally found to be 3.1 \ifmmode\pm\else\textpm\fi{} 0.2 eV; however, for the two-dimensional material, strong many-body effects, even at the O $K$ edge, prevent an accurate determination of this value. The presence of these quasiparticles influences the band dispersions near the Fermi level, and thus has a key role in the performance of possible ${\mathrm{MoO}}_{3}$-based devices.

Unveiling Role of Metals in Mononuclear Metal‐Complexes for Chemodosimetric Detection of S2− from aqueous medium: Experimental and DFT Corroboration with Real‐Field Application

AbstractHerein, we have reported two isostructural mononuclear metal complexes [M(HL)2(ClO4)2], wherein, M= Co2+ (viz. SN‐1) and Ni2+ (viz. SN‐2) and HL is NNO donor Schiff‐base ligand i. e. ((E)‐2‐methyl‐2‐((pyridin‐2‐ylmethylene)amino)propan‐1‐ol) for unveiling as molecular sensor for S2− (sulphide) like hazardous entity. The molecular probes have been characterized by SCXRD, 1H‐NMR, FT‐IR, HRMS etc. X‐ray diffraction studies confirm the mono‐nuclear structures of both the complexes. Interestingly, SN‐1 exhibited remarkable sensitivity towards S2− by naked eye colour change in purely aqueous medium with detection limit of 33.5 nM and binding constant of 11.05 × 108 M−1 while the SN‐2 didn't show any subtle chromogenic changes upon interaction with the targeted analyte. Judicious choice of metal centre plays a pivotal role for such discriminative interacting behaviour. Spectroscopic and DFT studies shed light on the mechanistic pathway of host‐guest interaction, indicating a S2− mediated chemodosimetric approach following HSAB principle. Impressively, the SN‐1 has also been explored towards fabrication of test strips for on‐field detection of H2S/S2− via. “Dip‐Stick” approaches. In a nutshell, the presently developed simple mono‐nuclear metal complex can be utilised for detecting gasotransmitter like H2S/S2− from purely aqueous medium that may be helpful in fabricating “point‐of‐care” devices in coming days for better understanding of H2S as a key role maker in various health related issues.

Estimating the reliability of simulated metabolism using documented data and theoretical knowledge. QSAR application

Establishing the reliability of simulated metabolism continues to be pivotal in accepting predictions of both fate and toxicological endpoints, especially when metabolic activation of a parent chemical is deemed crucial. A quintessential way of estimating the reliability of simulated metabolism is by comparing a simulated metabolic map with an appropriate documented metabolic map. The approach is constructed on two core parts - experimental and theoretical corroboration. Specifically, the three-layer algorithm is used to support experimentally the adequacy of the simulated maps. The first layer defines similarity boundaries between the parent chemical or metabolite starting the sequence, the root of the simulated series of biotransformations, and the corresponding initial structure of the analogue from the database with documented maps. Different criteria (e.g., the commonality between organic functional groups) are used for this rationale. The second layer delineates the metabolic transformation sequences applied to the target chemical or the initial metabolite of the transformation sequence. The last layer establishes the similarity between the final transformation product in the simulated and documented sequences. To support the adequacy of the simulated molecular transformations, a library of theoretical knowledge is used, providing mechanistic justification on applied transformations. The results of applications of the above procedure are shown using two examples.

Exploration of Twin-Pocket Aldimine Luminophore for Ultrasensitive As3+ Recognition in Industrial Waste Waters and Cytosolic Detection by “Arseno-Selective Azomethine Hydrolysis”: A Mutual Experimental and Theoretical Corroboration

Exploration of Twin-Pocket Aldimine Luminophore for Ultrasensitive As³⁺ Recognition in Industrial Waste Waters and Cytosolic Detection by “Arseno-Selective Azomethine Hydrolysis”: A Mutual Experimental and Theoretical Corroboration

Selection Methodology of Femoral Stems According to the Cross Section and the Maximum Stresses.

The maximum stresses on a femoral stem must be known for selecting the right size and shape of the shaft cross-sectional area for reducing the stress shielding effect generated after the total hip arthroplasty (THA) surgical procedure. The methodology proposed in this study provides the tools to the designers of femoral stems and orthopedic surgeons to select the adequate femoral stem cross section, decreasing the stiffness of the stem, thus reducing the stress shielding effect in the patient bones. The first contribution is the theoretical development of the maximum static stress calculation for 12 different femoral stem models with the beam theory, followed by the comparison with the static finite element analysis (FEA) simulations and finally the experimental corroboration of one femoral stem model measuring the strain with linear strain gages and transform it to stresses, the three different approaches provide comparable results, with a maximum average error of less than 8.5%. The second contribution is the formulation of a new selection methodology based on maximum stresses in the femoral stem and the cross section area for decreasing the stress shielding effect, optimizing the area needed for withstand the loads and decreasing the overall stiffens of the stem.

Dynamic trajectory for landing an aerial vehicle on a mobile platform.

In the presented work, a trajectory is designed allowing an Unmanned Aerial Vehicle (UAV) to perform landing on a mobile platform. The proposed trajectory behaves in such a way that grants a seamless integration of information about the target landing platform into its design. This allows any generic tracking controller to follow the trajectory regardless of the target's dynamics or movement, as they are indirectly applied to the trajectory's architecture. The focus of this work is for fixed-wing aircraft to land on water surface vehicles but can be adjusted for different scenarios. One of which is used for the experimental corroboration of the proposed strategy in a real-world environment.

On the generation and evolution of heated vortex rings in viscous fluids

Vortex rings are turbulent coherent structures that are ubiquitous in various application domains ranging from gas turbines to aquatic locomotion. The vortex rings are highly sensitive to a variety of external governing parameters. In this paper, we have quantitatively investigated the topology and formation mechanisms of such rings under the effect of externally modulated temperature, pressure, and amount of fluid injection. Vortex characteristics like translational velocity, peak vorticity, and circulation are analytically predicted along with rigorous experimental corroboration. The experiments are carried out on high viscous fluids with circulation-based vortex Reynolds number varied in the range of 8–100.​ The rings under distinct conditions are generated from a solenoid valve-controlled pipe by varying the externally governed parameters. We have shown that these parameters can be collapsed into a universal variable to provide insights into the vortex roll-up characteristics and variation of energy distribution towards translation and circulation for a given vortex ring.

Experimental corroboration of theory for impedance response of solid electrolytes: Doped cubic garnet LLZO

• Theory is corroborated with experimentally recorded impedance for Al and Ta-doped LLZO. • Theory resolves impedance of solid electrolyte into contribution from grain and grain boundary. • Phenomenological time scales are characterized through impedance of SSE. • Al and Ta-substituted cubic garnet Li 7 La 3 Zr 2 O 12 are synthesized using solid-state method. We corroborate phenomenological theory for the electrochemical impedance response of solid state electrolyte (SSE) with experimental data for the garnet structured oxide LLZO synthesized using conventional solid-state method. Theoretical analysis of experimentally recorded impedance spectrum indicates three characteristic frequency regimes, viz. (i) high frequency regime, ion relaxation dynamics in grain (g) and space charge layer (SCL) in grain boundary (gb) controls the impedance response, (ii) intermediate frequency regime, depicts the ion transfer and reorganization across heterogeneous grain and grain boundary and (iii) low frequency regime, response is attributed to the capacitive behavior due to the formation of double layer at solid electrolyte/partially blocking metal interface. Theory identifies phenomenological time scales associated with different electrochemical processes occurring in grain, grain boundary and their interface. The material characterization of samples is carried out using powder X-ray diffraction, scanning electron microscopy and Raman spectroscopy. The characteristic phenomenological time scales are extracted from the impedance response of Ta-doped and Al-doped LLZO unraveling the influence of doping. Finally, theory provides an alternative approach as it has rigor of phenomenological ab initio methodology as well as captures the simplicity of equivalent circuit models.