Total Reflection Research Articles

Multicamera simultaneous total internal reflection and interference reflection microscopy.

Interference Reflection Microscopy (IRM) is an optical technique that relies on the interference between the reflected light from an incident beam as it passes through materials of different refractive indices. This technique has been successfully used to image microtubules, biologically important biofilaments with a diameter of 25nm. However, it is often desirable to image both the microtubule and microtubule interacting proteins simultaneously. Here we present a simple modification to a standard multicolour total internal reflection fluorescence (TIRF) microscope that enables simultaneous high-speed IRM and single molecule TIRF imaging. Our design utilises a camera for each channel (IRM and TIRF) allowing independent optimisation of camera parameters for the two different modalities. We illustrate its application by imaging unlabelled microtubules and GFP-labelled end-binding protein EB1, which forms comets on the tips of polymerising microtubules. Our design is easily implemented, and with minimal cost, making it accessible to any laboratory with an existing fluorescence microscope.

Metasurface absorber for millimeter waves: a deep learning-optimized approach for enhancing the isolation of wideband dual-port MIMO antennas

In this communication, the concept of metasurface absorber is utilized to enhance the isolation in the dual port multiple-input multiple-output (MIMO) antenna specially designed for a wideband millimeter wave operation. The frequency of operation of the designed module is 32.5–42.5 GHz with sufficient gain attributes. The designed metasurface array consists of two circular rings on two different layers. The concept of deep learning is utilized to optimize the dimensional configuration of the metasurface to achieve the maximum absorption of electromagnetic waves in the band of interest. The suppression of mutual coupling by double-ring metasurface is analyzed with the help of the wave theory concept. In contrast to previous decoupling methods using metasurfaces, the suggested metasurface is intended to be in the same plane as the array. The findings demonstrate the capability of effectively separating antenna elements in wideband MIMO antenna without compromising the geometrical complexity. Diversity metrics such as envelope correlation coefficient (ECC), mean effective gain (MEG), channel capacity loss (CCL), and total active reflection coefficient (TARC) for the proposed frequency range are also used to evaluate the performance of the constructed MIMO antenna. The wideband characteristics with a compact configuration make the design MIMO module a suitable candidate for mm-wave applications. The congruence between simulation and measurement confirms the validity of the suggested design.

Real-Time In Vivo Human Skin Testing Using a Handheld Fourier Transform Infrared Spectrometer with a Three-Bounce Two-Pass Attenuated Total Reflection Interface.

Attenuated total reflection (ATR) Fourier transform infrared spectroscopy (FT-IR) is used to characterize a vast array of materials at the molecular level in various industry types. Here we compare the performance of a portable spectrometer with a novel three-bounce-two-pass (3B2P) ATR scanning interface to the same device with a standard one-bounce (1B) ATR, and to a benchtop spectrometer with a 10-bounce (10B) ATR, in ideal sample-interface conditions and an applied dermatological study setting. In both application settings, the benchtop 10B ATR interface showed the highest signal-to-noise ratio (SNR), however, the novel 3B2P produced a six-fold increase in the sensitivity of the portable spectrometer when analyzing isopropanol and showed the greatest consistency of SNR of all devices when analyzing isopropanol and in vivo skin samples. Spectral data were sourced from a recently undertaken dermatological study involving a cohort of 180 healthy, full-term babies, using both 1B and 3B2P interfaces. Use of the 3B2P interface resulted in a 55% greater successful high-quality spectrum collection rate, compared to the 1B, and showed significantly superior SNR at both observed study time points, i.e., birth (1B: 68.37; 3B2P: 77.37), and at four weeks (1B: 74.53; 3B2P: 80.22). The utility of ATR FT-IR spectrometers as a dermatological clinical tool was also exemplified here, by quantifying the moisture level of newborn skin. By gathering rich spectroscopic data on the molecular structure of the skin, this technique holds great promise for the quantification of skin disease-specific biomarkers.

Polarization-insensitive ultra-wideband tunable perfect absorber based on a vanadium dioxide metasurface

This paper provides a polarization-insensitive ultra-wideband tunable perfect absorber based on a patterned vanadium dioxide (VO2) metasurface. The absorption bandwidth reaches 18.5 THz, surpassing that of most previous studies, through integrating two distinct region patterns (A and B). The proposed absorber features a three-layer sandwiched structure and a simpler metasurface pattern, demonstrating the advantages of lower manufacturing cost and a simplified photolithography process. In addition, by optimizing geometric parameters and manipulating VO2 conductivity, the absorption spectrum reveals three specific perfect absorption peaks with the absorptance of 99.06%, 99.85%, and 99.85% at 10 THz, 14 THz, and 21.5 THz and shows polarization-insensitive performance due to the C4 rotational symmetry of the metasurface pattern. Furthermore, we illustrate that the intrinsic mechanism of the proposed perfect absorber arises from the lossy localized surface plasmon polarization (LSPP) excited by the incident wave, with the Fabry–Perot (FP) cavity enhancing LSPP absorption. The absorber reveals a good impedance matching with the free space, where the real and imaginary parts are close to 1 and 0, which also explains the perfect absorption from the perspective of the impedance matching theory. The device can transition between perfect absorption mode and total reflection mode, with relative absorptance also adjustable via manipulating the VO2 conductivity. Ultimately, the absorber displays an excellent angle tolerance maintaining absorptance above 90% in the range of 0°–50°. Consequently, the proposed polarization-insensitive ultra-wideband tunable perfect absorber can be applied in optical switching, object cloaking, and wireless communication.

Behavior of TE and TM propagation modes in nanomaterial graphene using asymmetric slab waveguide

Abstract In this article, the conduction of transverse electric/transverse magnetic (TE/TM) propagation modes in nanomaterial graphene utilization of asymmetric dielectric slab waveguide was studied in terms of their applicability in optical fiber communication. Nano-graphene film was deposited on silica substrate and air cladding. Three layers were exposed to electromagnetic waves with a 1.55 µm wavelength and 1 µm thick nanographene film, silica, and air covering to study the performance and optical properties of graphene nanomaterials. The models were influenced by factors such as attenuation wavenumbers, cut-off frequency, mode number, propagation wavenumbers, skin depth, and angles of total internal reflection. The impact of these parameters was assessed through numerical analysis, revealing significant correlations. The modes generated ten numbers of TE and nine numbers of TM mode dependent upon the structure of nanographene, with low loss propagation wavenumber. As the TE/TM modes increase, the decay wavenumbers of the cladding and substrate parameters diminish. This indicates that the magnetic and electric fields undergo extremely rapid decay beyond the film region, which leads to the skin depth for higher TE/TM modes traveling longer distances in the cladding and substrate than do lower-order modes. Therefore, nanographene exhibits good optical properties due to its low absorption loss. The angles of internal reflection are greater in magnitude than the substrate and cladding key angles. Still, in the tenth TE mode, the internal reflection angles are extremely close to the critical angle as a result of the small substrate decay parameter and the near operating frequency. The tenth TE mode is weakly characterized. The characteristics of TE/TM modes in an asymmetric three-layer slab waveguide structure are realized for various mode orders and various parameters of nanographene material. The field profiles of the TE/TM modes are submitted to comprehend these characteristics.

A novel elliptical MIMO antenna design for enhanced wireless connectivity in greenhouse applications

This paper presents a novel design and development of an elliptical antenna tailored for Greenhouse applications, providing support for multiple wireless services. The proposed antenna configuration is a quad-port multiple input multiple output (MIMO) system consisting of four identical elliptical antenna elements arranged in an orthogonal configuration on a Polycarbonate substrates. It operates effectively across the 2.4 GHz band and the 3–14.8 GHz band, enabling seamless connectivity for a range of Greenhouse and wireless applications, including Bluetooth, Wi-Fi, intelligent control systems (ICS), Greenhouse-to-infrastructure (G2I) communication, sensor networks (SN), and Greenhouse-to-network (G2N) connections. Rigorous analysis of antenna diversity performance is conducted, focusing on key parameters such as the envelope correlation coefficient (ECC), diversity gain (DG), total active reflection coefficient (TARC), and channel capacity loss (CCL). The antenna demonstrates exceptional performance, with an ECC of less than 0.005, DG exceeding 10 dB, TARC below − 25 dB, and CCL less than 0.25 bits/s/Hz. Detailed parametric analysis confirms the suitability of this design for 5G Greenhouse applications.

DNA Hybridization Kinetics Observed at the Single-Molecule Level Using Graphene Near-Field Effects.

We present the development of an advanced sensing platform using a monolayer of graphene functionalized with fluorophore-labeled DNA hairpins to detect the kinetics of single hairpins during the hybridization reaction. The near-field photonic effects of graphene induce a distance-dependent quenching effect on the attached fluorescent labels, resulting in distinct optical signals in response to axial displacements resulting from DNA hybridization. Employing a wide-field Total Internal Reflection Fluorescence (TIRF) optical setup coupled with a sensitive Electron-Multiplying Charge-Coupled Device (EM-CCD) camera, we successfully detected fluorescent signals of individual or a low number of individual DNA hairpins within a low-concentration environment DNA target (tDNA). These signals were used to determine the optical setup's Point Spread Function (PSF) in a novel approach to super-resolution reconstruction. Combining these techniques, the subpixel localization of single hairpin molecules and their respective intensity profiles were extracted, enabling a kinetic assessment of individual DNA hairpins, with estimated unfolding times of approximately 7 s. Observations of kinetic phenomena unveiled intermediate partially hybridized states, extending the time required to unfold the hairpin probes by more than a factor of 2. Furthermore, a developed semiempirical model allowed the conversion of fluorescent signals into fluorophore-graphene distances. At the nanometer scale, we observed a step-like unfolding process characterized by intermittent metastates of unfolding and static periods, which can be attributed to nucleation events in some cases. Our graphene-based sensing platform and optical methodologies can be adopted for further research into the kinetics of different biomolecules under diverse environmental conditions.

Narrow-Pulse-Width, Straight-Type-Cavity, All-Solid-State Laser at 228.5 nm

Deep-ultraviolet (DUV) lasers operating at a wavelength of 228 nm offer distinct advantages in Raman spectroscopy and analysis, demonstrating significant potential in the field of surgical medicine. This paper details the development of a high-repetition-rate, narrow-pulse-width, short-cavity laser system functioning at 228.5 nm, which is based on Barium Borate (BBO) electro-optic Q-switching. The system utilizes a double-concave resonator structure and a pressure-applied electro-optic Q-switching technique, incorporating Lithium Borate (LBO) and BBO as frequency-doubling crystals. A low-concentration Nd:YVO4 crystal, measuring 4 mm × 4 mm × 5 mm, serves as the gain medium, with a high-reflectivity coating applied to its left end face to function as the total reflection mirror within the resonant cavity. Upon achieving a pump power of 37 W at a repetition rate of 12 kHz, the system produced a maximum average power of 32 mW, with a pulse width varying from 2.48 ns to 2.70 ns and a central wavelength of 228.5 nm, which is effectively applicable for deep-ultraviolet spectral detection.

Effects of hydrocolloids on the structure and physicochemical properties of triticale starch during fermentation

The regulation of the structure and properties of new starch varieties has been a necessary step in the development of promising products. This study investigated the effects of 1 % xanthan gum (XG) and hydroxypropyl methylcellulose (HPMC) on the physicochemical properties and structure of triticale starch during fermentation. Frequency scanning and rapid viscosity analyzer results showed that the addition of XG or HPMC during fermentation resulted in the reduced loss factor (tanθ) and the increased peak viscosity, indicating that the network gel strength is enhanced. X-ray diffraction and attenuated total reflectance Fourier transform infrared spectroscopy experimental results revealed that adding XG or HPMC in the triticale starch during fermentation increased relative crystallinity (2.7 % and 5.27 %, respectively) and short-range order. Combined with microstructure and thermal analysis, the encapsulation effect of XG or HPMC on triticale starch increased the thermal stability of triticale starch during fermentation, which was specifically reflected by higher residue content (26.69 % and 19.13 %, respectively). This study can provide a theoretical basis for the effect of hydrocolloids on the texture and digestibility of triticale starch fermented products.

Polyelectrolyte complex membranes for zinc-ion cathode by polymerization of polyaniline

Although lithium batteries dominate the rechargeable battery market, concern over safety and material supply have motivated scientists to develop non-lithium-based alternative such as zinc-ion batteries (ZIBs). This work focuses on the development of polyelectrolyte complex-based cathode for ZIBs using a mild aqueous electrolyte such as ZnCl2 instead of KOH and to be further developed into wearable electronics. Composite polyelectrolyte complex electrodes with carbon black and polyaniline (PANI), or manganese oxide (MnO2) as active materials were prepared. The membranes were then further modified by electropolymerization of PANI to enhance the battery performance. Results show that electropolymerization leads to a threefold increase in ZIB performance with increased current density, power density, and specific energy capacity. Zinc chloride (ZnCl2; 1 m) was used as a mild electrolyte instead of potassium chloride (KOH; 6 m) leading to a reduced performance yet allowing for potential use in skin contact and wearable electronics. All the membranes were assembled into ZIB and tested using the battery testing machine. Scanning electron microscopy was used to observe the morphology of the electropolymerized PANI while attenuated total reflection Fourier transform infrared spectroscopy was used to confirm the chemical nature of PANI.

Maternal hair lead and cytokine pro-inflammatory effects in preterm birth

This case-control study analyzed the lead (Pb), interleukin 6 (IL-6), and tumor necrosis factor alpha (TNF-α) levels in pregnant women with preterm birth (PTB) in Central Java, Indonesia. Hair samples from 72 pregnant women were collected non-invasively. The prenatal exposure to Pb was determined with the total reflection X-ray fluorescence (TXRF) method. Serum IL-6 and TNF-α were examined using enzyme-linked immunosorbent assays (ELISA). The Pb concentration in hair was slightly higher in women with PTB than those without PTB; however, this difference was not statistically significant. An elevated hair Pb level was not associated with increased PTB risk (OR 24.69, 95% CI 0.93–653.82, p>0.05). A serum TNF-α level ≥27 pg/ml, a serum IL-6 level ≥9 pg/ml, and the spouse’s smoking frequency were significantly associated with increased PTB risk (TNF-α OR 42.25, 95% CI 5.26–339.61; IL-6 OR 22.33, 95% CI 3.12–158.54; spouse’s smoking frequency OR 1.28, 95% CI 1.09–1.5), while the maternal hemoglobin concentration significantly decreased PTB risk (OR 0.43, 95% CI 0.2–0.927). This study demonstrates that maternal hair Pb concentration has no significant relationship with PTB. Serum TNF-α, IL-6, and the spouse’s smoking frequency potentially increased PTB risk, while the maternal hemoglobin level is a protective factor.

Synthesis investigation and exploring of new tetraglycidyl bisurea bisphenyl S polyepoxide as an excellent corrosion inhibitory resin for mild steel in 1M HCl environment: Comprehensive approaches

This work reports the synthesis of new epoxy resin namely tetraglycidyl bisurea bisphenyl S (TGBUBS). TGBUBS was characterized through using nuclear magnetic resonance (1H NMR and 13C NMR) and attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR). TGBUBS was investigated as an excellent organic inhibitor for protecting the mild steel from corrosion in 1M HCl solution at different concentrations. Anticorrosion protection behaviors were evaluated and more discussed including different techniques such as potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and contact angle (CA) measurements. The obtained results showed that the TGBUBS exhibited inhibition efficiencies at lower concentration are 93.19 % (PDP) and 91.21 % (EIS), respectively. Further, PDP measurements indicated that the TGBUBS acted as a mixed-type inhibitor in 1M HCl solution. Furthermore, SEM and EDS analysis showed a significant reduction in the corrosion on the mild steel surface when the inhibitory epoxy resin was present compared to the blank solution (1M HCl). The effectiveness and interactions of the new epoxy resin on the mild steel surface were also predicted using DFT calculations and molecular dynamics (MD) simulations. The theoretical approaches are in agreement with the experiment results.

New Antioxidant Caffeate Esters of Fatty Alcohols Identified in Robinia pseudoacacia

The stem bark of black locust (Robinia pseudoacacia L.) was extracted, and nine antioxidant compounds (R1–R9) were detected by high-performance thin-layer chromatography combined with the radical scavenging 2,2-diphenyl-1-picrylhydrazyl (DPPH•) assay, multi-detection, and heated electrospray high-resolution mass spectrometry. For structure elucidation, the methanolic crude extract was fractionated by solid-phase extraction, and the compounds were isolated by reversed-phase high-performance liquid chromatography with diode array detection. The structures of isolated compounds were elucidated by nuclear magnetic resonance and attenuated total reflectance Fourier-transform infrared spectroscopy as well as gas chromatography-mass spectrometry to determine the double bond position. 3-O-Caffeoyl oleanolic acid (R1), oleyl (R2), octadecyl (R3), gadoleyl (R4), eicosanyl (R5), (Z)-9-docosenyl (R6), docosyl (R7), tetracosyl (R8), and hexacosanyl (R9) caffeates were identified. While R1 has been reported in R. pseudoacacia stem bark, the known R3, R5, R7, R8, and R9 are described for the first time in this species, and the R2, R4, and R6 are new natural compounds. All nine caffeates demonstrated antioxidant activity. The antioxidant effects of the isolated compounds R1–R8 were quantified by a microplate DPPH• assay, with values ranging from 0.29 to 1.20 mol of caffeic acid equivalents per mole of isolate.

Simultaneous bright-field and fluorescence lensless imaging with high excitation light extinction for microfluidics applications

Lensless imaging fluorescence applications are limited by the unavoidable trade-off between the object-sensor distance and the excitation light attenuation at the detection plane. Indeed, a shorter object-sensor distance reduces the spreading of fluorescent signals but at the cost of losing excitation light attenuation provided by filter thickness. Accordingly, the combination of four synergistic pathways to attain further attenuation of excitation light is proposed: the optimization of total internal reflection by microfluidic chip geometry modification, cross-polarization extinction, interchangeable absorption longpass filters, and the CMOS sensor built-in bandpass Bayer filters. The advantages of such a combined setup are demonstrated with a microfluidic application, as we managed to keep the object-sensor distance as short as 600 µm and still distinguish the fluorescence of individual droplets, flowing as close as 650 µm to each other, while attenuating excitation light to an OD 5.9 level. This approach also allowed simultaneous fluorescence and bright-field observation of on-chip droplet fluorescence during flow at a rate of 30 fps. The enhanced capabilities in our scheme pave the way to further lensless fluorescence applications requiring parallelism, lower detection thresholds, and real-time acquisition, such as fluorescence biosensing.

Bio-material-based deformable out-coupling film with UV-blocking properties for stabilized organic light-emitting diodes

In multilayer organic light-emitting diodes (OLEDs), 70% of the generated light is lost due to differences in the refractive indices, resulting in total internal reflection. Therefore, external light-extraction films that can easily enhance efficiency are being researched. However, most of these films use petroleum-based polymers, raising waste disposal concerns. Additionally, ultraviolet (UV) light degrades organic materials. Hence, UV protection is essential for mitigating this damage. This study fabricated an eco-friendly external light-extraction film with UV-blocking capabilities using carboxymethyl cellulose (CMC) and sodium lignosulfonate (LS) extracted from plants. The phenolic groups in LS absorb UV light, while the sulfonate groups enhance its hydrophilicity, rendering it soluble in water. Therefore, a simple process was employed by casting a CMC-LS solution onto a microlens-array (MLA) template to fabricate a CMC-LS MLA film. The CMC-LS MLA film achieved 90% transmittance in the visible light range and exhibited excellent UV-blocking capabilities, simultaneously enhancing the lifespan of the OLED and improving the light-extraction efficiency by 30%.

In Situ Surface-Enhanced Infrared Absorption Spectroscopy to Explore the Stability of Electrolyte in Nonaqueous Lithium Oxygen Batteries

Tetraethylene glycol dimethyl ether (TEGDME) decomposition on the Au electrode surface is studied using in situ attenuated total reflectance surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). Due to the weak solvation of TEGDME, the superoxide intermediate (LiO2/O2−) of the discharge process rapidly gains electrons on the electrode surface to generate Li2O2. Furthermore, alkyl radical, formed by LiO2/O2− extracting hydrogen from ether, undergoes oxidative decomposition reactions to form by-products. During the charge process, amorphous film-like Li2O2 obtained from surface-phase mechanism oxidizes in the low potential range of 3–3.4 V, while the oxidation potential of large-sized crystal Li2O2 particles obtained from solution-phase mechanism is above 3.4 V. Besides, TEGDME is intrinsically unstable and can decompose at 3.8 V even the solution is saturated with argon, indicating that the degradation of ether-based electrolyte is inevitable during the cycling process. This work confirms the feasibility of ATR-SEIRAS in probing the reaction mechanism and electrolyte stability of lithium oxygen batteries, and provides direct spectroscopic evidence for subsequent optimization of electrolyte components.

Spatial structure of light fields at Gaussian beams transmission through multilayer dielectrics under the total internal reflection and waveguide excitation

Spatial structure of light fields at Gaussian beams transmission through multilayer dielectrics under the total internal reflection and waveguide excitation

Poly(Ionic) Liquid-Enhanced Ion Dynamics in Cellulose-Derived Gel Polymer Electrolytes.

Gel polymer electrolytes (GPEs) are regarded as a promising alternative to conventional electrolytes, combining the advantages of solid and liquid electrolytes. Leveraging the abundance and eco-friendliness of cellulose-based materials, GPEs were produced using methyl cellulose and incorporating various doping agents, either an ionic liquid (1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide [Pyr14][TFSI]), its polymeric ionic liquid analogue (Poly(diallyldimethylammonium bis(trifluoromethylsulfonyl)imide) [PDADMA][TFSI]), or an anionically charged backbone polymeric ionic liquid (lithium poly[(4-styrenesulfonyl)(trifluoromethyl(S-trifluoromethylsulfonylimino) sulfonyl) imide] LiP[STFSI]). The ion dynamics and molecular interactions within the GPEs were thoroughly analyzed using Attenuated Total Reflectance Fourier-Transform Infrared Spectroscopy (ATR-FTIR), Heteronuclear Overhauser Enhancement Spectroscopy (HOESY), and Pulsed-Field Gradient Nuclear Magnetic Resonance Diffusion (PFG-NMR). Li+ transference numbers (tLi+) were successfully calculated. Our study found that by combining slow-diffusing polymeric ionic liquids (PILs) with fast-diffusing lithium salt, we were able to achieve transference numbers comparable to those of liquid electrolytes, especially with the anionic PIL, LiP[STFSI]. This research highlights the influence of the polymer's nature on lithium-ion transport within GPEs. Additionally, micro supercapacitor (MSC) devices assembled with these GPEs exhibited capacitive behavior. These findings suggest that further optimization of GPE composition could significantly improve their performance, thereby positioning them for application in sustainable and efficient energy storage systems.

Irradiation of hydrophilic acrylic intraocular lenses by a 365 nm UV lamp

Abstract Intraocular lenses (IOLs) based on a transparent hydrophilic acrylic polymer have been irradiated by a 365 nm UV lamp at a 200 mJ/cm2 fluence and at different exposure times, from 1 h up to 19 h, in air and at room temperature. The macromolecular modifications induced in the lens have been investigated by attenuated total reflectance coupled to Fourier transform infrared spectroscopy and optical spectroscopy. Particular attention was devoted to the study of chemical modifications of the IOL by UV irradiation, which induced chain scissions, radical formation, and cross-links in the more superficial polymer layers. The experimental results at long exposures demonstrate that the IOL transmission decreases in the UV and NIR ranges, remaining nearly constant in the visible range.

2-Amino-6-methylbenzothiazole as corrosion inhibitor for low carbon steel in acidic solution: Experimental and theoretical studies

The corrosion susceptibility of S235 steel samples in 1 M HCl solution, with and without addition of 2-amino-6-methylbenzothiazole (AMBT) was evaluated using weight loss (WL), chronopotentiometry, electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PD) techniques. The corrosion inhibition efficiency of AMBT was investigated at 298 to 318 K, with and without addition of 0.5 wt% KI. The highest corrosion inhibition efficiency (i.e. 83.30 %) was achieved upon addition of 5 mM AMBT. PD curve measurements after 24 h immersion revealed that AMBT behaves as a mixed-type inhibitor, predominantly affecting the cathodic corrosion reaction. Thermodynamic calculations showed that AMBT adheres to the Langmuir adsorption isotherm. Attenuated total reflectance Fourier transform infrared (ATR-FTIR) was used to confirm the adsorption of AMBT, while its influence on the morphology of the S235 steel samples was also investigated by scanning electron microscopy (SEM). Density Functional Theory (DFT) calculations, along with Monte Carlo (MC) and Molecular Dynamics (MD) simulations, were employed to investigate AMBT’s corrosion inhibition behaviour at the molecular level. The simulations confirmed that AMBT strongly adsorbs on the Fe(110) surface through a combination of physisorption and chemisorption mechanisms. This study offers detailed insights into AMBT’s effectiveness as a corrosion inhibitor