This work explores the incorporation of a carbon‑supported zinc oxide-sulfide composite (ZnO–ZnS/C) into alcohol‑fueled paper‑based microfluidic fuel cells (paper‑based µFCs) to develop more efficient, sustainable, and low‑cost portable energy systems. The ZnO–ZnS/C materials were synthesized from banana peel–derived carbon (BC) and zinc sulfate using zinc salt: BC weight ratios of 1:2 (BCZ1), 1:1 (BCZ2), and 2:1 (BCZ3). FTIR analysis confirmed the presence of lignocellulosic components after the carbonization process. The specific surface areas were 232 m2/g, 239 m2/g, and 141 m2/g for BCZ1, BCZ2, and BCZ3, respectively. BCZ1 and BCZ2 exhibited more developed porous structures than BCZ3, likely due to a higher degree of activation and fewer pore‑blocking effects. SEM analysis revealed irregular and porous morphologies for all BCZ samples, with well‑dispersed zinc species. Raman spectroscopy confirmed the presence of characteristic D and G bands at 1350 and 1580 cm⁻¹, indicative of partially graphitized carbon with moderate structural disorder. The ID/IG ratios (0.95–0.97) suggest similar graphitization degrees among the samples, with BCZ3 exhibiting slightly fewer defects. This balanced structure, combining good electrical conductivity with a suitable number of defect sites, is favorable for electrochemical applications, such as microfluidic fuel cell anodes, as demonstrated in this study. Paper‑based µFCs were evaluated using ethanol (0.1–1.5 M), tequila, and antioquian aguardiente as fuels. The highest power densities were obtained using BCZ2 as the anode, with antioquian aguardiente (0.21422 mW cm− 2) and tequila (0.22436 mW cm− 2), highlighting the potential of these materials for powering portable sensing devices under real‑sample conditions.

Microfluidic fuel cells offer a promising route for portable power generation; however, scaling paper-based systems remains challenging because capillary-driven flow can limit fuel distribution and electrochemical performance. This work investigates the experimental performance and computational fluid dynamics (CFD) behavior of air-breathing paper-based microfluidic fuel cell ( mu FCs) stacks powered directly by commercial tequila (35 vol.% ethanol). Single cells with electrode areas ranging from 0.5 cm & times; 0.5 cm to 3 cm & times; 3 cm were evaluated to determine the optimal design, followed by the construction of 4-cell and 6-cell series-parallel stacks. The smallest electrode (0.5 cm & times; 0.5 cm) achieved the highest power density (0.142 mW cm-2) and open-circuit voltage (0.92 V). Scaling to a 6-cell stack increased the maximum power density to 3.20 mW cm-2 and the voltage to 1.39 V, outperforming the 4-cell configuration (1.09 mW cm-2 and 1.07 V). Computational Fluid Dynamics simulations revealed that fuel velocity decreased from 2.8 & times; 10-2 m s-1 near the inlet to approximately 1.0 & times; 10-6 m s-1 in the final cells because of porous-medium resistance, explaining the observed mass-transport limitations. The results demonstrate that tequila can be directly used as a sustainable fuel source and that optimized stack architectures significantly enhance power generation in paper-based microfluidic fuel cells.

Cannabidiol (CBD) and its derivatives show interesting therapeutic potential, including antioxidant, anti-inflammatory, and anticancer properties; however, their clinical translation remains a complex task due to physicochemical restrictions such as low water solubility, high lipophilicity, and instability under light, oxygen, and high temperatures. Polymeric encapsulation has emerged as a promising strategy to overcome these challenges, offering protection against environmental degradation, improved bioavailability, and controlled release. Natural and synthetic polymers, both biocompatible and biodegradable, provide versatile matrices for CBD delivery, enabling nanoparticle formation, targeted transport, and enhanced pharmacokinetics. This review highlights the structural characteristics of CBD, its interaction mechanisms with polymeric matrices such as hydrogels, electrospun nanofibers, biodegradable microparticles, thin films, and lipid-polymer hybrid systems, and the principal encapsulation techniques, such as emulsion solvent evaporation, electrospinning, and supercritical fluid technologies, that facilitate stability and scalability. Furthermore, material characterization approaches, including microscopy, thermal, and degradation analyses, are discussed as tools for optimizing encapsulation systems. While notable advances have been made, key challenges remain in achieving reproducible large-scale production, ensuring regulatory compliance, and designing smart polymeric carriers personalized for specific therapeutic contexts. By addressing these gaps, polymer-based encapsulation may unlock new opportunities for CBD in pharmaceutical, nutraceutical, and therapeutic applications, providing a guide for future innovation and translation into effective patient-centered products.

Renewable energy generation is an innovative approach that uses the electrochemical properties of substances that can be used as fuels, for example, urine and in addition to mixed metal oxides for the generation of energy from fuel cells based on synthetic urine. In this study, energy generation was carried out in a synthetic urine sample, using ferrites of the CaFe2O4 and LaFeO3 type as anode. These materials act as sensors that react with the analytes present in the urine sample, producing a detectable electrical signal. In the study, a cell with two electrodes was used, one made of platinum (cathode) and another made of synthesized material (anode). The synthesized materials were prepared using a mixture of nitrates, and the synthetic urine sample, which was deposited on a paper microfluidic fuel cell design. Six assemblies were carried out and the results were satisfactory for the study. References Saputra, H. A. (2023). Electrochemical sensors: basic principles, engineering, and state of the art. Monatshefte Fur Chemie, 154(10), 1083–1100 Salih, S.J.; Mahmood W.M. Review on magnetic spinel ferrite (MFe2O4) nanoparticles: From synthesis to application, Heliyon 2023, 9, e16601 Pandiyan, R., Vinothkumar, V., Chen, S. M., Sangili, A., & Kim, T. H. (2023). Integrated LaFeO3/rGO nanocomposite for the sensitive electrochemical detection of antibiotic drug metronidazole in urine and milk samples. Applied Surface Science, 635, 157672 Nemati, S. S., Salemi-Seresht, M., Abdi, Y., & Dehghan, G. (2024). Highly sensitive and label-free detection of naproxen using mixed metal oxide-based field effect transistor as a biosensor for in-vitro analysis of urine. Materials Science in Semiconductor Processing, 179, 108487

This work presents, for the first time, power generation using diabetic urine as fuel. The energy conversion is achieved through a paper-based microfluidic fuel cell. Urine has recently gained attention as a source of novel biomarkers for early disease detection, making the use of diabetic urine as fuel particularly relevant to the development of autonomous portable medical devices. A key challenge in using diabetic urine as fuel lies in the fact that it contains various molecules and compounds that can block or poison the fuel cell's electrodes. This study introduces a selective catalyst of ZnO and nickel-based particles that oxidize the urea in human urine. Different concentrations of Ni (3%, 6%, and 9%) were evaluated to optimize catalyst activity. The best performance of the diabetic urine-microfluidic fuel cell was achieved with the ZnO-Ni at 3%, yielding a maximum voltage of 0.89 V, a maximum current density of 1.18 mA cm(-2), and a maximum power density of 1.26 mW cm(-2). These results demonstrate the potential for enhancing point-of-care devices through paper-based microfluidic fuel cell stacks.

This work presents, for the first time, power generation using diabetic urine as fuel. The energy conversion is achieved through a paper-based microfluidic fuel cell. Urine has recently gained attention as a source of novel biomarkers for early disease detection, making the use of diabetic urine as fuel particularly relevant to the development of autonomous portable medical devices. A key challenge in using diabetic urine as fuel lies in the fact that it contains various molecules and compounds that can block or poison the fuel cell's electrodes. This study introduces a selective catalyst of ZnO and nickel-based particles that oxidize the urea in human urine. Different concentrations of Ni (3%, 6%, and 9%) were evaluated to optimize catalyst activity. The best performance of the diabetic urine-microfluidic fuel cell was achieved with the ZnO-Ni at 3%, yielding a maximum voltage of 0.89 V, a maximum current density of 1.18 mA cm−2, and a maximum power density of 1.26 mW cm−2. These results demonstrate the potential for enhancing point-of-care devices through paper-based microfluidic fuel cell stacks.

Fatty liver and other related diseases are caused mainly by fructose consumption from nonalcoholic sweetened beverages; therefore, the development of new techniques, materials, and practical devices for its quantification is important for clinical diagnosis. In the present work, composites based on zinc oxide (ZnO) and different praseodymium concentrations were prepared by precipitation in alkaline aqueous media. Composites of ZnO/praseodymium were characterized by ultraviolet/visible-near infrared (UV/Vis-NIR) and Fourier transform infrared (FTIR) spectroscopies, thermogravimetry (TGA), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The composites consisted of ZnO microparticles of cabbage-like morphologies with sizes of 850 ± 253 nm and a thickness of 36.6 ± 1 nm, which were decorated with praseodymium particles of rice-like morphology with different sizes depending on the praseodymium concentration. The composites exhibited photoactivity in the UV and visible regions, with characteristic absorbances due to the presence of fluorophores in the near-infrared region. ZnO/praseodymium composites were characterized electrochemically in half-cells under visible light irradiation at different fructose concentrations to determine their detection limit, which was between 30 and 40 mM fructose. The composite with 2

Copper-deficient cobalt ferrite nanoparticles were synthesized by a simple combustion method. In the synthesis, tests of different polyalcohols were carried out, demonstrating the effectiveness of glycerin as a cosolvent, facilitating the preparation of electrode modifier nanomaterials. A standing time (eight hours) before calcination causes a decrease in the secondary phase of hematite. In acidic conditions (pH 2.5), the limit of detection (LOD) was calculated as (99.4 nM), the limit of quantification (LQO) turned out to be (331 nM). and RSD 3.31%. The superior electrocatalytic activity of the copper-deficient cobalt ferrite modified electrode Co0.87Cu0.13Fe2O4/GCE correlates very well with its resistance Rct found by the EIS technique and which defined its electron transfer capacity. The detection limit obtained for Co0.87Cu0.13Fe2O4/GCE in the present study (99.4 nM) is lower than the other electrodes studied here. The results show the possibility of determining acetaminophen in complex biological matrices

Perovskite-type lanthanum ferrite nanoparticles were developed and used to detect acetaminophen. For this work, lanthanum ferrite nanoparticles were synthesized by the combustion technique using industrial sugar molasses with lanthanum nitrate and ferric nitrate. To verify the electrochemical properties of an electrode modified with these perovskites, cyclic voltammetry (CV) and differential pulse voltammetry (DPV) techniques were used. During the experiment, phosphate buffer solution was used. Preliminary tests will show promising results on the electrocatalytic effect of lanthanum ferrrite obtained from a synthesis assisted with molasses of industrial origin.

The use of microfluidic fuel cells (μFCs) as power sources in the development of non-implantable biomedical devices, such as patch sensors, could be broadened with the use of physiological fluids as fuels and the use of low-cost materials. In this work, we report the evaluation of a paper-based photo-μFC working with human blood as fuel, and we implement a nanocomposite as anode that presents photoactivity under visible light. The electrocatalyst was synthesized using Zn(NO 3 ) 2 and TiCl 4 as precursors of the ZnO and the TiO 2 , respectively, which were coated with Au nanoparticles. It was demonstrated that ZnO and TiO 2 nanoparticles consisted of crystals with wurtzite and anatase phases, with average sizes of 26.6 and 19.5 nm, respectively, and the TiO 2 /ZnO/Au nanocomposite presents 2.62 eV of band gap energy, demonstrating its photoactivity under visible light irradiation. The photocatalyst was tested as photoanode in half-cell for glucose oxidation in aqueous solutions, under illumination and dark conditions, showing characteristics peaks of glucose oxidation in both cases, but higher current was generated under illumination. Finally, we present the implementation of this anode and the construction of a paper-based photo-μFC using human blood as fuel; its performance was evaluated under visible light irradiations and in the dark. The results show a better performance under illumination with voltage, current, and power density values of 0.95 V, 1.2 mA cm −2 , and 0.458 mW/cm 2 , respectively, compared to the corresponding values of 0.8 V, 0.96 mA cm −2 , and 0.274 mW/cm 2 in dark conditions.

This work presents results of the synthesis of mixed metal oxides such as calcium ferrite by dissolving Ca(NO3)2.4H2O, Fe(NO3)3.9H2O and NH4OH with constant stirring, and assisted with conventional heating or microwave (MAE) combustion. using natural aloe vera extract as fuel at 900°C for 3 hours. The resulting material was characterized by instrumental methods for powders. Calcium ferrite powders were used for the modification of the surface of a glassy carbon electrode. The modified electrodes were used for the electrochemical investigation of acetaminophen (ACe) and acyclovir (ACy), at controlled pH. The preliminary results demonstrated the potential application of calcium ferrite powders in the electrochemical detection of molecules of pharmaceutical interest.

This work devised a simple glycerol-assisted synthesis of a low-Cu2+-doped CoFe2O4 and the electrochemical detection of acetaminophen (AC). During the synthesis, several polyalcohols were tested, indicating the efficiency of glycerin as a cosolvent, aiding in the creation of electrode-modifier nanomaterials. A duration of standing time (eight hours) before calcination produces a decrease in the secondary phase of hematite. The synthesized material was used as an electrode material in the detection of AC. In acidic conditions (pH 2.5), the limit of detection (LOD) was 99.4 nM, while the limit of quantification (LOQ) was found to be (331 nM). The relative standard deviation (RSD), 3.31%, was computed. The enhanced electrocatalytic activity of a low-Cu2+-doped CoFe2O4-modified electrode Cu0.13Co0.87Fe2O4/GCE corresponds extremely well with its resistance Rct, which was determined using the electrochemical impedance spectroscopy (EIS) technique and defined its electron transfer capacity. The possibility of a low-Cu2+-doped CoFe2O4 for the electrochemical sensing of AC in human urine samples was studied. The recovery rates ranging from 96.5 to 101.0% were obtained. These findings suggested that the Cu0.13Co0.87Fe2O4/GCE sensor has outstanding practicability and could be utilized to detect AC content in real complex biological samples.

Microfluidic fuel cells that use microorganisms to oxidize different organic substances to generate electricity are gaining importance due to their versatility to use different fuels. Saccharomyces cerevisiae has used for various purposes due to its capacity to ferment broad spectrum of carbohydrates. In this research, the development of bioanodes based on the immobilization of this yeast was carried out to apply them in the evaluation of a paper lateral-flow microfluidic fuel cell. Immobilization was performed using two different supports, Vulcan carbon and graphene oxide, and four carbohydrates as fuel (saccharose, glucose, fructose, and maltose). The results indicated that the yeast is better distributed and reaches a higher capacity to oxidize carbohydrates when is immobilized on graphene oxide, this bioanode shows better performance in the microfluidic device, reaching a potential above 0.9V when saccharose are used as fuel, representing a promising approach to use microbial bioanodes in small energy conversion devices.

Due to the great importance of looking for new alternatives for the use of agroindustrial waste, it is intended to synthesizeCu2+-doped NiFe2O4 nanoparticles in an environmentally friendly way from extract of the agroindustrial waste coffee pulp, characterizing its structural and anticorrosive properties. A preliminary study of the effect of the concentration of Ni, Cu and Fe on the corrosion of steel in 1M sulfuric acid was developed, using various advanced electrochemical tools such as electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PD). The effect of Cu2+-doped NiFe2O4 on corrosion for steel in acidic environment is promising and of great importance for the industry.

A composite of ZnO and Pr (3% mol of Pr/Zn) was synthesized in one-step using ZnCl 2 and PrCl 3 as precursors and NaOH to precipitate the oxides, resulting in a composite of ZnO/PrO 2 + Pr(OH) 3 . Composite of ZnO/PrO 2 + Pr(OH) 3 was characterized by scanning electron microscopy, thermogravimetric analysis, UV/Vis–NIR spectroscopy and X-ray diffraction. Composite consisted of micro-rods of 5 to 10 µm in length coated with agglomerated nanoparticles of PrO 2 + Pr(OH) 3 . From the UV/Vis–NIR spectrum, the calculated band-gap energy values of composite were 3.05 and 2.73 eV for direct and indirect transitions, respectively. In addition, the characteristic f – f transitions of the Pr 3+ ions were also identified due to photoactivity in both: the UV and visible regions of the electromagnetic spectrum. ZnO/PrO 2 + Pr(OH) 3 composite was tested in photodegradation of methylene blue (MB) and reactive red 120 (RR-120) dyes under solar irradiation (1.15 ± 0.15 W/m 2 ) and 1 g/L of photocatalyst load. It was observed that for a MB dye solution 30 mg/L of initial concentration, 81% of photodegradation was achieved after 120 min of solar irradiation, this efficiency increased to 97% for initial MB dye concentration of 10 mg/L in 90 min. The photodegradation efficiency for RR-120 was 98% at 10 mg/L of RR-120 initial concentration in only 45 min, however in the competitive photodegradation of the mixed dyes at 20 mg/L of initial concentration, 99% and 95% of efficiency were achieved for MB and RR-120 after 120 min, respectively. The photocatalytic activity of composite was associated with two mechanisms: (1) light absorption in the UV/Vis region activating the CTB band (charge transfer band, O 2− → Zn 2+ , Pr 3+ ) and the f–f bands of the Pr 3+ ions. (2) The presence of the redox-pair Pr 4+ + e − → P 3+ ( ε 0 = 3.2 V) that would capture the photogenerated e − CB . Both mechanisms increase the lifetime of the exciton.

The mixed metal oxides, have been used in different environmental and chemical applications in view of their physical and chemical properties. In the field of electrochemistry, particularly electroanalysis, they are extensively used as functional materials due to their high surface area, mass transport, catalytic effect, and control over the local environment. [1] Mixed metal oxides providing a material with different physicochemical and morphological properties, such as, greater surface area, high dispersion, thermal stability, acid/base properties, making its application in various fields of chemistry, mainly as catalysts in various organic reactions. [2] In this work, mixed metal oxides of CuO-Fe 2 O 3 and CoFe 2 O 4 ferrite were synthesized by sol–gel combustion route using glycerin as an adjuvant. [3-4] The mixed metal oxides CuO-Fe 2 O 3 and CoFe 2 O 4 ferrites structure was confirmed by means of X-ray powder diffraction. Scanning electron microscopy were used to investigate the morphology of the sample and the vibrations of the functional groups were determined by Raman and IR-ATR spectroscopy. [3-4] The electrochemical behavior of mixed metal oxides CuO-Fe 2 O 3 and CoFe 2 O 4 ferrite were determined by cyclic voltammetry using an Ag/AgCl electrode, platinum wire and a glass carbon electrode (GCE), as reference electrode, counter electrode and working electrode, respectively. It was used a solution of KNO 3 (0,1 mol L -1 ) as electrolytic medium. The GCE was modified with mixed metal oxides obtained to analyze their electrochemical behavior. Bibliographic Kefeni, K.K.; Msagati, T.A.; Mamba, B.B. 2017, Sci. Eng. B . 215, 37–55 Veisi, S.S.; Yousefi, M.; Amini, M.M.; Shakeri, A.R.; Bagherzadeh, M. 2019, Alloy. Compd . 773, 1187–1194 Basante-Delgado, S.F.; González-Vidal, D.; Morales-Morales, J.A.; Aperador-Chaparro, W.A.; Gómez-Cuaspud, J.A. 2020 Phys. Conf. Ser . 1541, 012013 Granja-Banguera CP, Silgado-Cortázar DG, Morales-Morales JA. 2022, Molecules . 2022, 27, 1550.

Magnetic nanoparticle has been an attractive area of research in view of their unique physical and chemical properties. [1] In the field of electrochemistry, particularly electroanalysis, they are extensively used as functional materials due to their high surface area, mass transport, catalytic effect, and control over the local environment. Barium based ferrites have emerged as attractive materials of interest due to their interesting physical, chemical, magnetic and electrical properties. [2] Hexaferrite and ferrites such as barium ferrite are very important group of magnetic oxides and these are used in different technologies including sensors because of their specific properties such as low cost, corrosion resistance chemical stability and large magneto crystalline anisotropy. [3] However, the investigation of the effect by various other elements on the structure of hexaferrite and ferrite particles and its electrochemical properties remains the subject of popular research. In this work, mixed metallic oxides hexaferrite and ferrite were synthesized by sol–gel combustion route using glycerin as an adjuvant. [4] Their structure was confirmed by means of X-ray powder diffraction. Scanning electron microscopy were used to investigate the morphology of the sample and the vibrations of the functional groups were determined by Raman and IR-ATR spectroscopy. The electrochemical behavior of substituted hexaferrite and ferrite were determined by cyclic voltammetry using an Ag/AgCl electrode, platinum wire and a glass carbon electrode (GCE), as reference electrode, counter electrode and working electrode, respectively. The GCE was modified with mixed metal oxides obtained to analyze their electrochemical behavior. Bibliographic Xueli X, Wei S 2019 Materials Technology , 1-5 Kefeni, K.K.; Msagati, T.A.; Mamba, B.B. 2017, Sci. Eng. B . 215, 37–55 Valenzuela R, Magnetic Ceramics, Chemistry of Solid State Materials 4 serie. Cambridge (Great Britain): Cambridge University Press, 1994, p. 50 Sandra F. Basante-Delgado, Dalliver González-Vidal, Jimmy A. MoralesMorales, William A. Aperador-Chaparro, Jairo A. Gómez-Cuaspud, 2020 Phys.: Conf. Ser . 1541 012013

The external corrosion of a pipeline buried or submerged under specific conditions was studied. The pipelines were made of API 5L X52 steel covered with polyolefin tape. The external corrosion of pipelines was studied without and with coating to emulate those that are in service. The study of the external corrosion of a buried pipeline was carried out in a sodium bentonite medium. The bentonite humidity percentage was modified to simulate in a better way the characteristics of real soil and the effect of this on the measurement of external corrosion was determined. The electrochemical technique used to measure the external corrosion in buried ducts was the electrochemical impedance spectroscopy. The results showed a resistance to corrosion with a value of 2.41 and 25.896 Ω cm 2 with a humidity percentage of 80% for sodium bentonite for bare and tape pipes, respectively. The corrosion resistance values when varying the separation distance of 14 and 23 cm from the reference electrode and the counter electrode were 2.41 Ω and 0.13 Ω cm 2 , being very close values, which also occurred for the tape pipe. This indicated the independence of the resistance with respect to the electrode separation.

The direct integration of paper-based microfluidic fuel cells (μFC’s) toward creating autonomous lateral flow assays has attracted attention. Here, we show that an air-breathing paper-based μFC could be used as a power supply in pregnancy tests by oxidizing the human urine used for the diagnosis. We present an air-breathing paper-based μFC connected to a pregnancy test, and for the first time, as far as we know, it is powered by human urine without needing any external electrolyte. It uses TiO2-Ni as anode and Pt/C as cathode; the performance shows a maximum value of voltage and current and power densities of ∼0.96 V, 1.00 mA cm−2, and 0.23 mW cm−2, respectively. Furthermore, we present a simple design of a paper-based μFC’s stack powered with urine that shows a maximum voltage and maximum current and power densities of ∼1.89 V, 2.77 mA cm−2 and 1.38 mW cm−2, respectively, which powers the display of a pregnancy test allowing to see the analysis results.

Oxazoles and thiazoles are useful organic compounds in the pharmaceutical industry and agricultural chemistry. For example, the aminothiazole heterocycle system is a useful structural element in medical chemistry and has found wide applications. [1] In previous studies, our group has reported that he electroactivity of 2-aminothiazole and 2-aminooxazole derivate resides on the primary amine group in C-2 position in thiazolic and oxazolic ring respectively and the electron donor ability is mainly governed by 2-aminothiazole and 2-aminooxazole chemistry. [2] Preliminary results, however, have not described or reported the electrochemical behavior of these heterocyclic compounds using in situ coupled techniques. One of the most interesting tools in the characterization of materials is the spectroscopy in the UV-Vis region, because it gives an idea of the compounds present. [3] This interesting technique has been coupled to electrochemicals methods, giving the possibility to in-situ information. In this work, the electrochemical oxidation of 2-Thiazolamine and 2-Oxazolamine is performed utilizing cyclic voltammetry purely electrochemical technique, coupled to UV-vis spectroscopy in situ. The UV–Vis spectra were collected simultaneously while potentiostatic electrolysis was performed. Cyclic voltammetry was carried out using a PalmSens4 potentiostat and Spectroelectrochemical experiments were performed using a quartz curvet of 1 cm path length by placing a commercial screen-printed electrode (IS-1, Italsens), which included a three-electrode configuration printed on the same strip. The preliminary results show the important information provided by UV-Visible spectroscopy coupled with electrochemical techniques. Bibliographic Yichao Wan, Jiabing Long, Han Gao, Zilong Tang, 2021, Eur. J. Med. Chem 210, 15, 112953 J A Morales-Morales, A F Villamarin, E Florez-López, J J Rios-Acevedo, 2018 Phys.: Conf. Ser . 1119 012006 Noelia González-Diéguez, Alvaro Colina, Jesús López-Palacios, and Aránzazu Heras 2012, Chem . 84, 21, 9146–9153