Spectroscopy Research Articles

Polyelectrolyte modified Ag-nanosphere: A Practical Approach for Sensitive and Selective SERS-based Detection of Organic Dye Pollutants

This study presents a cost-effective method for fabricating surface-enhanced Raman spectroscopy (SERS) substrates using Ag-nanospheres (AgNS) capped with Poly(diallyldimethylammonium chloride) (PDADMAC) and poly(styrene sulfonate) (PSS). AgNS synthesis involves immersing Ag-nanocrystals in a nonaqueous solution, mixed with PEs in an aqueous solution via ultrasonic disturbance. Resulting aggregates form stable spherical assemblies with diameters ranging from 150 nm to 450 nm, and various characterization techniques, including scanning electron microscopy with energy-dispersive X-ray, UV-visible spectrophotometry, dynamic light scattering, and zeta potential analysis, were employed to analyze their fundamental chemical and physical properties. These qualified AgNSs serve as SERS substrates for sensitive and selective identification of charged organic dye contaminants, such as rhodamine 6G (R6G) and rose bengal (RB). Sensitivity assessments with the optimized quantities of either PDADMAC or PSS-capped AgNSs demonstrate successful detection down to concentrations of 10-14 M for RB and 4 x 10-13 M for R6G. The same SERS substrates also enable electrostatically driven selective detection even in analyte mixtures, and an additional variation of the SERS substrate comprising a complex of PDADMAC-capped and PSS-capped AgNSs exhibited distinct SERS spectra influenced by both positively and negatively charged analytes. Finally, successful detection of two oppositely charged pesticides was achieved through electrostatic attraction, so theses polyelectrolytes capped AgNS-based SERS substrate presents a promising avenue for efficiently and selectively detecting charged organic contaminants.

Migration of Platinum Nanoparticles via Volatile Platinum Dioxide during Lean High-Temperature Ageing of Diesel Oxidation Catalysts

When platinum-containing diesel oxidation catalysts (DOC) are exposed to high temperatures under lean conditions, the platinum nanoparticles form volatile platinum dioxide on the catalyst surface. The exhaust flow carries the volatile platinum dioxide to the downstream aftertreatment catalyst, such as the selective catalytic reduction (SCR) catalyst, that is responsible for reducing the nitrogen oxides (NOx) emissions and can negatively impact its performance, by promoting the parasitic oxidation of ammonia. Here we investigate the factors such as exposure time, temperature and DOC design characteristics for their impact on the platinum dioxide migration, by characterising the amount of platinum deposited on the SCR catalyst at very low levels (<5 ppm), using inductively coupled plasma optical emission spectroscopy (ICP-OES) fire assay technique. Our results indicate that well-dispersed platinum, not associated with palladium, is most prone to platinum dioxide migration. We also compare several methods to suppress the platinum dioxide migration from the DOC, such as sintering of the platinum nanoparticles, stabilising the platinum nanoparticles via interaction with palladium or covering the platinum nanoparticles with a high surface area capture layer to trap the volatile platinum dioxide.

High-Volume Production of Repeatable High Enhancement SERS Substrates Using Solid-State Superionic Stamping

Abstract Surface-enhanced Raman spectroscopy (SERS) is emerging as a powerful tool for detecting and identifying chemical and biological substances because of its high sensitivity, specificity, speed, and label-free detection. For SERS substrates to be effective in sensing applications, they must exhibit reproducible and robust high signal enhancement and cost-effective scalability. This article introduces a highly sensitive, large-area silver SERS substrate patterned with a uniform array of 3D retroreflecting inverted pyramids and develops a manufacturing pathway for it, using a novel and facile electrochemical imprinting process called solid-state superionic stamping (S4). Substrates, approximately 4 mm2 in area, are produced and tested with 1,2-bis(4-pyridyl) ethylene (BPE). Uniformly high and reproducible spatially averaged enhancement factor (EF), typically around a value of 2 × 107 with a relative standard deviation of 6.7% and a high batch-to-batch repeatability with a relative standard deviation of 10.5% between batches were observed. Passivating a substrate's surface with atomically thin layers of alumina, deposited using atomic layer deposition (ALD) was effective in maintaining the EF constant over a 60-day period, albeit with a trade-off between its EF and its lifespan. S4 has the potential to make substrates with EF consistently greater than 107 available at a cost of $1 to $2 per substrate, allowing SERS to be adopted across a wide spectrum of high-volume applications, including security, food safety, medical diagnostics, and chem-bio analysis.

Optical emission spectroscopy as a method for evaluating the change in Si etching structures profile in ICP SF6/C4F8 plasma: Microstructures

In this work, a method for in situ diagnostics of the etching profile of silicon structures (etching window sizes 15–400 μm) using optical emission spectroscopy was proposed. To determine the relationship between the etching profile and plasma parameters, the influence of technological parameters on the etching characteristics (vertical and lateral etching rate, selectivity in relation to photoresist, and sidewall angle) was studied. As a general parameter, which reflects the changes in plasma characteristics depending on the selected technological parameters, the parameter X (C/F ratio in SF6/C4F8 plasma) was introduced. Based on the results obtained, a general pattern between the lateral etching rate, sidewall angle, and optical emission spectra was identified. Thus, ranges of X values, at which the lateral etching rate does not exceed 5 nm/min for 15–30 μm structures and 15 nm/min for 100 μm structures, were estimated: 0.38 ≤ X ≤ 0.77 and 0.28 ≤ X ≤ 0.46, respectively. For 250–400 μm structures, ranges of X values, at which the sidewall angle is acute, straight, and obtuse, were determined: 0.16 ≤ X < 0.29, 0.29 ≤ X ≤ 0.41, 0.41 < X ≤ 0.75, respectively.

Electric field components within a micro-scaled DBD measured by Stark shifting and splitting of helium lines

Abstract Atmospheric pressure dielectric barrier discharges (DBDs), such as the micro cavity plasma array (MCPA), have emerged as promising technologies for the conversion of volatile gases. These conversion processes' effectiveness can be enhanced by integrating catalytically active surfaces. To deepen the understanding of the plasma-catalyst interaction, it is crucial to study the transport dynamics of charged species to the catalytic surface, which, due to collisions with neutrals, also directly affects the transport of reactive species to the catalyst. Thereby the transport of the charged species is in particular influenced by the electric field perpendicular to the catalytic surface. 
However, experimental data on the component-wise electric field strength within DBDs are rare. To address this issue, we performed polarized optical emission spectroscopy (OES) on the shifting and splitting of the allowed 492.19 nm (1D→1P0) and forbidden 492.06 nm (1F0→1P0) helium line pair. This diagnostic approach requires a non-radially symmetric geometry, which leads to an adapted reactor design of the MCPA allowing the side-on observation of the discharge. The discharge operates in pure helium at atmospheric pressure, utilizing a triangular excitation voltage with a frequency of 15 kHz and an amplitude of 600 V. We performed phase-resolved measurements of the electric field components with a temporal resolution of 1 µs. Our results revealed an electric field strength of approximately 22 kV cm-1 for the component perpendicular to the dielectric surface, while the component parallel to the dielectric surface is about 5 kV cm-1 larger during the decreasing potential phase of the applied voltage.

Combined microwave and optical spectroscopy for hyperfine structure analysis in thulium atoms

Combined microwave and optical spectroscopy for hyperfine structure analysis in thulium atoms

Automated Calibration for Rapid Optical Spectroscopy Sensor Development for Online Monitoring

Automated Calibration for Rapid Optical Spectroscopy Sensor Development for Online Monitoring

CXOU J005245.0-722844: Discovery of a be star / white dwarf binary system in the SMC via a very fast, super-eddington X-ray outburst event

Abstract CXOU J005245.0-722844 is an X-ray source in the Small Magellanic Cloud (SMC) that has long been known as a Be/X-ray binary (BeXRB) star, containing an OBe main sequence star and a compact object. In this paper, we report on a new very fast X-ray outburst from CXOU J005245.0-722844. X-ray observations taken by Swift constrain the duration of the outburst to less than 16 days and find that the source reached super-Eddington X-ray luminosities during the initial phases of the eruption. The XRT spectrum of CXOU J005245.0-722844 during this outburst reveals a super-soft X-ray source, best fit by an absorbed thermal blackbody model. Optical and Ultraviolet follow-up observations from the Optical Gravitational Lensing Experiment (OGLE), Asteroid Terrestrial-impact Last Alert System (ATLAS), and Swift identify a brief ∼0.5 magnitude optical burst coincident with the X-ray outburst that lasted for less than 7 days. Optical photometry additionally identifies the orbital period of the system to be 17.55 days and identifies a shortening of the period to 17.14 days in the years leading up to the outburst. Optical spectroscopy from the Southern African Large Telescope (SALT) confirms that the optical companion is an early-type OBe star. We conclude from our observations that the compact object in this system is a white dwarf (WD), making this the seventh candidate Be/WD X-ray binary. The X-ray outburst is found to be the result of a very-fast, ultra-luminous nova similar to the outburst of MAXI J0158-744.

Sensing Biomolecules Associated with Cells' Radiosusceptibility by Advanced Micro- and Nanospectroscopy Techniques.

Radiotherapy is one of the most common approaches for cancer treatment, especially in the case of peripheral nervous system tumors. As it requires exposure to high doses of ionizing radiation, it is important to look for substances that support efficient reduction of the tumor volume with simultaneous prevention of the surrounding noncancerous cells. Cannabidiol (CBD), which exhibits both anticancer and neuroprotective properties, was applied as a potential modulator of radiological response; however, its influence on cells undergoing irradiation remains elusive. Here, we have applied high-resolution optical spectroscopy techniques to capture biomolecules associated with CBD shielding of normal and damaging cancerous cells upon X-ray exposure. Conventional Raman (RS) and Fourier transformed infrared (FT-IR) spectroscopies provided semiquantitative information mainly about changes in the concentration of total lipids, DNA, cholesteryl esters, and phospholipids in cells. A through assessment of the single cells by atomic force microscopy coupled with infrared spectroscopy (AFM-IR) allowed us to determine not only the alterations in DNA content but also in its conformation due to cell treatment. Pronounced nanoscale changes in cholesteryl ester metabolites, associated with CBD treatment and radiation, were also observed. AFM-IR chemoselective maps of the single cells indicate the modified distribution of cholesteryl esters with 40 nm spatial resolution. Based on the obtained results, we propose a label-free and fast analytical method engaging optical spectroscopy to assess the mechanism of normal and cancerous cell susceptibility to ionizing radiation when pretreated with CBD.

Multi-diagnostic of dust growth in a capacitive Ar/C2H2 plasma

Abstract The interest in the production of nanoparticles (NPs) within Ar/C2H2 reactive plasmas is increasing, driven by their potential applications in functional materials or for their analogy to cosmic dust. The growth process of NPs has been thoroughly examined using a broad array of diagnostic tools. Significant among these tools are those that determine two-dimensional distributions of NP sizes and densities. The inherent complexity of these techniques has resulted in a limited number of works that integrate these measurements with a multitude of other diagnostic tools. Here, we show a multi-diagnostic exploration of the growing process of NPs in Ar/C2H2 plasmas. The combination of in-situ techniques, such as scattered light images, optical emission spectroscopy, light extinction, quadrupole mass signals, or self-bias voltage, with exsitu SEM images and FTIR spectra of the deposited dust, provides a detailed picture of the growth process. The temporal evolution of plasma parameters, coupled with chemical composition measurements, provides a comprehensive description of the dust growth phases, and the FTIR measurements reveal an appreciable difference in chemical composition between the core and shell of the NPs. Furthermore, employing a method based on the terminal falling
velocity of NPs in the afterglow, the intrinsic mass density of NPs is estimated. The asymmetries observed in the spatial distributions of nanoparticle size and density are qualitatively discussed in terms of neutral drag, ion drag, and electrostatic forces.

Microstructural evolution and formation of defect complexes in diamond films by nitrogen-containing plasma

Abstract The morphology and crystalline quality of polycrystalline diamond samples were studied by systematically varying the flowrate of nitrogen gas in the microwave plasma. A slight improvement in both crystallite size and crystalline quality is observed for a low concentration of 0.5 sccm nitrogen. With a further increase in nitrogen concentration, diamond switches from micro-crystalline (MCD) to nanocrystalline (NCD) with a nitrogen flow of 2.5 sccm (10% of methane concentration). The surface roughness of the sample is found to depend strongly on the crystallite size of the sample. Extensive spectroscopic studies have been done to understand the presence and formation of different defect complexes in diamond. The presence of nitrogen-containing defect complexes has been studied thoroughly and their concentration has been found to be limited by the solubility limit rather than the availability of reactants in the gas environment. In contrast, the effect these complexes have on the strain of the diamond film is found to be negligible. Optical emission spectroscopy (OES) of the plasma reveals the presence of C2 dimers as well as C-N radicals. However, they have little role in modifying diamond grain morphology or crystalline quality.

The Gaia Ultracool Dwarf Sample – IV. GTC/OSIRIS optical spectra of Gaia late-M and L dwarfs

Abstract As part of our comprehensive, ongoing characterisation of the low-mass end of the main sequence in the Solar neighbourhood, we used the OSIRIS instrument at the 10.4 m Gran Telescopio Canarias to acquire low- and mid-resolution (R≈300 and R≈2500) optical spectroscopy of 53 late-M and L ultracool dwarfs. Most of these objects are known but poorly investigated and lacking complete kinematics. We measured spectral indices, determined spectral types (six of which are new) and inferred effective temperature and surface gravity from BT-Settl synthetic spectra fits for all objects. We were able to measure radial velocities via line centre fitting and cross correlation for 46 objects, 29 of which lacked previous radial velocity measurements. Using these radial velocities in combination with the latest Gaia DR3 data, we also calculated Galactocentric space velocities. From their kinematics, we identified two candidates outside of the thin disc and four in young stellar kinematic groups. Two further ultracool dwarfs are apparently young field objects: 2MASSW J1246467+402715 (L4β), which has a potential, weak lithium absorption line, and G 196–3B (L3β), which was already known as young due to its well-studied primary companion.

Carbon dots based AuAg@AuNPs with oxidase-like activity for SERS dual-readouts detection of D-penicillamine.

An oxidase (OXD)-like AuAg@AuNPs nanozyme was prepared by Au seeds growth using dopamine carbon dots as reducing and capping agents. The AuAg@AuNPs show excellent OXD-like and surface-enhanced Raman spectroscopy (SERS) activities and can oxidize the non-Raman-active leucomalachite green (LMG) into the Raman-active malachite green (MG). The research displays that D-penicillamine (D-PA) can effectively inhibit the OXD-like activity of Au@AgNPs and enhance the SERS signals as substrate. It is attributed to the formation of S-Au bond due to thiol (-SH) in D-PA. Therefore, a highly sensitive and specific SERS dual-readout sensing platform was proposed to assay D-PA with alimit of detection of 0.1μg/mL (direct SERS mode) and 6.64μg/L (indirect SERS mode). This approach was successfully used to determine D-PA in actual pharmaceutical formulations.

A comparative study of Fibre Bragg Grating for spatially and temporally resolved gas temperature measurements in cold atmospheric pressure plasma jets

Abstract Cold atmospheric pressure plasma jets (CAP-Jet) are successfully used in medical ther-apy for healing of chronic wounds and are widely researched in inactivation of patho-gens and in assisting in cancer therapy. A crucial parameter for these plasma applica-tions is that CAP-Jets operate at temperatures that are tolerable for biological tissues. While tools characterizing the plasma's gas temperature are well developed, there are only a few methods that work with an agreeable limit of uncertainty, complexity and limited perturbation properties to accurately determine that the studied plasma jet operates at tissue tolerable temperatures at all times. In the current work, time resolved measurements of the gas temperature in the effluent of a CAP-Jet are performed using the innovative technique of a Fibre Bragg Grating (FBG), in which the temperature dynamics is measured by a shift of the FBGs resonant wavelength through its thermo-optic coefficient. Comparing with other temporal and spatial diagnostic tools such as thermocouple measurement, Schlieren imaging, and optical emission spectroscopy, we demonstrate reliable calorimetric measurements at different plasma duty cycles. The plasma source maintains tissue tolerable temperatures inside the plasma active zone with values below 35°C at 1 cm distance from the jet nozzle. The calorimetric measure-ments have revealed that the heat power dissipation in comparison to electric energy of our plasma source is at least 50%.

Transition Metal-Promoted LDH-Derived CoCeMgAlO Mixed Oxides as Active Catalysts for Methane Total Oxidation

A series of M(x)CoCeMgAlO mixed oxides with different transition metals (M = Cu, Fe, Mn, and Ni) with an M content x = 3 at. %, and another series of Fe(x)CoCeMgAlO mixed oxides with Fe contents x ranging from 1 to 9 at. % with respect to cations, while keeping constant in both cases 40 at. % Co, 10 at. % Ce and Mg/Al atomic ratio of 3 were prepared via thermal decomposition at 750 °C in air of their corresponding layered double hydroxide (LDH) precursors obtained by coprecipitation. They were tested in a fixed bed reactor for complete methane oxidation with a gas feed of 1 vol.% methane in air to evaluate their catalytic performance. The physico-structural properties of the mixed oxide samples were investigated with several techniques, such as powder X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDX), elemental mappings, inductively coupled plasma optical emission spectroscopy (ICP-OES), X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction under hydrogen (H2-TPR) and nitrogen adsorption–desorption at −196 °C. XRD analysis revealed in all the samples the presence of Co3O4 crystallites together with periclase-like and CeO2 phases, with no separate M-based oxide phase. All the cations were distributed homogeneously, as suggested by EDX measurements and elemental mappings of the samples. The metal contents, determined by EDX and ICP-OES, were in accordance with the theoretical values set for the catalysts’ preparation. The redox properties studied by H2-TPR, along with the surface composition determined by XPS, provided information to elucidate the catalytic combustion properties of the studied mixed oxide materials. The methane combustion tests showed that all the M-promoted CoCeMgAlO mixed oxides were more active than the M-free counterpart, the highest promoting effect being observed for Fe as the doping transition metal. The Fe(x)CoCeMgAlO mixed oxide sample, with x = 3 at. % Fe displayed the highest catalytic activity for methane combustion with a temperature corresponding to 50% methane conversion, T50, of 489 °C, which is ca. 40 °C lower than that of the unpromoted catalyst. This was attributed to its superior redox properties and lowest activation energy among the studied catalysts, likely due to a Fe–Co–Ce synergistic interaction. In addition, long-term tests of Fe(3)CoCeMgAlO mixed oxide were performed, showing good stability over 60 h on-stream. On the other hand, the addition of water vapors in the feed led to textural and structural changes in the Fe(3)CoCeMgAlO system, affecting its catalytic performance in methane complete oxidation. At the same time, the catalyst showed relatively good recovery of its catalytic activity as soon as the water vapors were removed from the feed.

Effect of RF acetylene plasma on the composition and dynamics of a titanium plasma plume in a plasma enhanced pulsed laser deposition system

We report the effect of radio frequency (RF) acetylene plasma on the dynamics and composition of titanium (Ti) plasma plume in a plasma-enhanced pulsed laser deposition (PEPLD) system. The titanium target, mounted inside a capacitively coupled RF discharge, was ablated by using a nanosecond Nd:YAG pulsed laser at 1064 nm with a power density of 2.65 GW/cm2. The experiments were performed at different operating pressures of acetylene. Fast imaging and optical emission spectroscopy were employed to study the physics behind the pulsed laser deposition in both (PLD) and PEPLD systems. A nonlinear dependence of the plasma plume evolution was observed over a range of pressure. Different expansion regimes correspond to the pressure of the experiments. The plume expansion velocity ranges between 6 × 103 m/s and 30 × 103 m/s. Emission spectra reveal the presence of C II and Ti II lines depending on the experimental conditions. The presence of background RF plasma leads to substantial enhancement of the emission intensity of the C II spectral lines. In addition, with increasing RF power and background pressure, the intensities of the C II spectral lines increase; whereas the intensities of the Ti II spectral lines decrease with the increase in RF power. Plasma temperature was estimated from the Ti II lines using the Boltzmann plot method, whereas the electron density was estimated from the Stark-broadened Ti II line at 454.9 nm. The calculated densities and temperatures lie between 1017–1018 cm−3 and 0.8–2.0 eV, respectively. These results show the effects of the different backgrounds (either neutral or RF plasma) on the propagation of the laser-produced plasma (LPP), which we propose to be useful in the thin film deposition process using PLD.

Introduction to the feature issue: Diffuse Optical Spectroscopy: Technology and Applications

Introduction to the feature issue: Diffuse Optical Spectroscopy: Technology and Applications

Advancing Protein Detection and Analysis Based on Ag/Au PHCN for Enhanced SERS Sensitivity and Specificity in Biomolecular Diagnostics.

In the realm of disease diagnostics, particularly for conditions such as proteinuria and hemoglobinuria, the quest for a method that combines accurate, label-free detection of protein compositions and their conformational changes remains a formidable challenge. In this study, we introduce an innovative Ag/Au plasmonic hybrid coupling nanoarray (Ag/Au PHCN) architecture marked by sub-10 nm interparticle gaps. These nanoarrays, leveraging plasmonic hybrid coupling and synergistic enhancement mechanisms, create a plethora of uniform surface-enhanced Raman spectroscopy (SERS) hotspots. The Ag/Au PHCN substrates demonstrated unparalleled sensitivity in the unmarked detection of hemoglobin (HGB), bovine serum albumin (BSA), and cytochrome C (Cyt.C) in bodily fluids, incorporating the advantages of high sensitivity, high reproducibility, durability, recyclability, and biocompatibility. Notably, the detection limits for BSA and HGB are unprecedented at 0.5 and 5 ng/mL, respectively. This achievement sets a new benchmark for label-free protein detection using two-dimensional nanostructures. Crucially, the Ag/Au PHCNs possess the novel capability to discern protein conformational changes post denaturation, underscoring their potential in probing protein functionalities. Most importantly, these nanoarrays can differentiate between normal and proteinuria-affected urine samples and monitor protein content variations over time, heralding a new era in clinical diagnostics with particular relevance to proteinuria and hemoglobinuria detection.

Analysis of discharge parameters of an Argon Cold Atmospheric Pressure Plasma Jet and its impact on surface characteristics of White Grapes

Abstract An argon cold atmospheric-pressure plasma (CAP) jet operated using bipolar pulsed power supply has been characterised electro-optically and the discharge parameters are optimized. An analysis has been done on the impact of the argon CAP jet treatment on the surface properties of white grapes for different treatment time period. The developed argon CAP jet is a plasma source based on dielectric barrier discharge (DBD) that has been tuned at various input parameters including applied voltage, frequency, average power consumption, and argon flow rate. Optical Emission Spectroscopy (OES) is used to identify the generated species along with plasma parameters. The collisional–radiative (CR) model is employed to extract the electron density (ne) and electron temperature (Te) from the spectra at the optimised applied voltage of 4 kV, frequency 20 kHz and argon flow rate of 4 slpm. The OES results coupled with the CR model (ne ~ 1014 cm-3 and Te ~ 1 eV) and the plasma gas temperature measurement through OH (A-X) transitions (Tg ~310.5 K) show the non-equilibrium nature of the argon CAP jet. A comparative analysis between untreated and treated white grapes reveals that the argon CAP jet treatment influences surface microstructure, increasing hydrophilicity (with a ~49.3% decrease in water contact angle) along with slight changes in surface temperature (~5°C increase), colour (ΔE* < 1.5), and physiochemical properties such as chemical composition (no change) and Total Soluble Solid (TSS) content (~8.3 %). It is inferred that this type of CAP jet treatment of white grapes only affects the physical characteristics of the grape surface and does not alter any chemical compositions.

In situ determination of soybean leaves nutritional status by portable X-ray fluorescence: An initial approach for data collection and predictive modelling

X-ray fluorescence (XRF) analyses are fast, clean, non-destructive, and compatible with on-field operations, which are some advantages over traditional determinations using coupled plasma optical emission spectroscopy (ICP-OES). The aim of this study was to advance in situ XRF approaches for assessing the nutritional status of soybean leaves (i.e., P, S, K, Ca, Mn, Fe, Cu and Zn). More specifically, we propose a protocol to ensure accuracy of in-field analysis and then evaluate the predictive performance of XRF via different data modelling strategies for macro- and micronutrient determination. Therefore, the XRF sensor dwell time of 60 s and the maximum time of 5 min were determined for the analysis of the leaves after leaf abscission, taking into account the influence of moisture loss on the signal intensity of the lighter elements. Regarding the predictive performance of XRF data for nutrients determination, multiple linear regression (MLR) models resulted in lower root mean square errors (RMSE) for P (433 mg kg−1), S (204 mg kg−1) and K (1957 mg kg−1); Partial least squares regression (PLS) for Ca (519 mg kg−1); and simple linear regression (SLR) for Mn (9 mg kg−1), Fe (18 mg kg−1), Zn (5 mg kg−1). The different modelling strategies exhibited equivalent RMSE for Cu (2 mg kg−1). These prediction errors are within a ±20% range, demonstrating that the in situ protocols developed in this research are useful for predicting the nutrients concentration in soybean leaves. Our study shows the possibility of using the in situ XRF sensor for the rapid and practical nutrients determination in soybean leaves, presenting good potential as a crop diagnosis tool.