Maria Ibáñez

Jaume I University | UJI · Department of Physical and Analytical Chemistry

A comprehensive study assessed indoor air quality parameters, focusing on relevant air pollutants such as particulate matter (PM10 and PM2.5), gaseous compounds (CO, CO2, formaldehyde, NO2) and volatile/semi-volatile organic chemicals, as well as respiratory viruses (including SARS-CoV-2), fungi and bacteria in Spanish university classrooms. Non-ta...

In this work, an analytical strategy based on non-target screening of semi-volatile organic compounds and subsequent risk assessment for adult and child populations has been conducted for the first time in household indoor dust samples in Spain. The methodology was based on a microwave-assisted extraction followed by gas chromatography coupled to h...

The research on antibiotics occurrence in the aquatic environment has become a hot topic in the last years due to their potential negative effects, associated to possible bacterial antibiotic-resistance, after continuous exposure to these compounds. Most of antibiotic residues are not completely removed in the wastewater treatment plants (WWTPs) an...

A fast and automated strategy has been developed for identifying unknown substances in the atmosphere (concretely, in the particulate matter, PM10) using LC-HRMS (MS3). A total of 15 samples were collected in three different areas (rural, urban and industrial). A sampling flow rate of 30 m3 h−1 was applied for 24 h, sampling a total volume of aroun...

Synthetic cannabinoids receptor agonists (SCRAs) are often almost completely metabolised, and hence their pharmacokinetics should be carefully evaluated for determining the most adequate biomarker in toxicological analysis. Two structurally related SCRAs, AMB-FUBINACA and AMB-CHMICA, were selected to evaluate their in vivo metabolism and pharmacoki...

The analysis in real-time of the exhaled breath has gained great attention in the last years due to the high number of possible applications, such as the investigation of endogenous compounds, the detection of disease biomarkers, or the determination of exogenous compounds related to the consumption of certain products. Although commercial ionizati...

The effluents from wastewater treatment plants (WWTPs) can be an important contamination source for receiving waters. In this work, a comprehensive study on the impact of a WWTP from Madrid on the aquatic environment has been performed, including a wide number of pharmaceuticals and pesticides, among them those included in the European Watch List....

There is an increasing need for comparable and harmonized retention times (tR) in liquid chromatography (LC) among different laboratories, to provide supplementary evidence for the identity of compounds in high-resolution mass spectrometry (HRMS)-based suspect and nontarget screening investigations. In this study, a rigorously tested, flexible, and...

Laboratory wastes containing Cd2+ and water polluted by pharmaceuticals represent an environmental concern. In this work, a proof concept, consisting of the use of teaching-laboratory wastes to synthesize CdS and its subsequent use as a photocatalyst to degrade fluoroquinolone antibiotics, was developed. The CdS was prepared by extraction with thio...

Discharges from the wastewater treatment plants (WWTPs) are among the main sources of contamination to receiving surface water, therefore the quality of treated wastewater needs to be properly monitored. However, not only the effluents of larger WWTPs employing advanced treatment processes have been considered, but also those from more conventional...

New psychoactive substances (NPS) are a wide group of compounds that try to mimic the effects produced by the ‘classical’ illicit drugs, including cannabis (synthetic cannabinoids), cocaine and amphetamines (synthetic cathinones) or heroin (synthetic opioids), and which health effects are still unknown for most of them. Nowadays, more than 700 comp...

This month's Special Feature is authored by four accomplished investigators from the Department of Physical and Analytical Chemistry, University Jaume I, Castellón de la Plana, Spain. In their article, Dr. Ibáñez and colleagues direct their attention towards issues relating to new psychoactive substances (NPS), or emerging designer drugs, a heterog...

This paper provides scientific results from a European LIFE project carried out in the Valencian region of Spain during the 2017 to 2018 time frame. In 2018, more than 60,000 tons of pesticides were commercialized in Spain, with approximately 15% destined for Valencian crops. In order to improve the air quality in the agricultural areas of this reg...

Only a limited number of households in the Amazon are served by sewage collection or treatment facilities, suggesting that there might be a significant emission of pharmaceuticals and other wastewater contaminants into freshwater ecosystems. In this work, we performed a wide-scope screening to assess the occurrence of pharmaceuticals, illicit drugs...

The widespread use of pesticides, especially in agricultural areas, makes necessary to control their presence in surrounding surface waters. The current study was designed to investigate the occurrence and ecological risks of pesticides and their transformation products in a Mediterranean river basin impacted by citrus agricultural production. Nine...

The presence of pharmaceutically active substances (PhACs) in aquatic ecosystems is of great concern due to their constant occurrence in different water systems and potential negative effects on the quality of water and living organisms. After consumption, PhACs are excreted as the parent compound, and/or as free or conjugated metabolites, which mi...

Synthetic cathinones are the second most commonly seized new psychoactive substance family in Europe. These compounds have been related to several intoxication cases, including fatalities. Although the pharmacological effects, metabolism, and pharmacokinetics of cathinones have been studied, there is little information about the permeability of the...

Degradation of two representative antihypertensives, losartan (LOS) and valsartan (VAL) in water by photo-electro-Fenton (PEF), using a BDD anode in presence of sulfate anion was evaluated. PEF showed a fast elimination of these pollutants (>95% at 30 and 60 min of treatment for LOS and VAL, respectively). The main elimination route was the attacks...

Currently, the most powerful approach to monitor organic micropollutants (OMPs) in environmental samples is the combination of target, suspect, and nontarget screening strategies using high-resolution mass spectrometry (HRMS). However, the high complexity of sample matrices and the huge number of OMPs potentially present in samples at low concentra...

Pharmaceuticals are biologically active molecules that may exert toxic effects to a wide range of aquatic organisms. They are considered contaminants of emerging concern due to their common presence in wastewaters and in the receiving surface waters, and the lack of specific regulations to monitor their environmental occurrence and risks. In this w...

El presente estudio muestra los resultados obtenidos relativos a la identificación, cuantificación y eliminación de contaminantes emergentes (CE) presentes en el agua residual y el fango de una estación depuradora de aguas residuales (EDAR) de la Región de Murcia. También se presentan los resultados tras estudiar la eliminación de algunos contamina...

New psychoactive substances (NPS) have become a serious public health problem, as they are continuously changing their structures, modifying their potency and effects on humans, and therefore novel compounds are unceasingly appearing. One of the major challenges in forensic analysis, particularly related to the problematic of NPS, is the developmen...

The use of synthetic cannabinoids (SCs), which escape conventional detection systems, may be a good alternative to elude routine drug analysis for cannabis. The detection of these drugs in urine is unusual due to their complete and fast metabolism, therefore requiring alternative strategies. In this work, an investigation has been made on SCs consu...

In urban, industrial, and agricultural areas, a vast array of contaminants may be found because they are introduced into the aquifers by different recharge sources. The emerging contaminants (ECs) correspond to unregulated contaminants, which may be candidates for future regulation depending on the results of research into their potential effects o...

Synthetic cathinones are new psychoactive substances that represent a health risk worldwide. For most of the 130 reported compounds, information about toxicology and/or metabolism is not available, which hampers their detection (and subsequent medical treatment) in intoxication cases. The principles of forensic analytical chemistry and the use of p...

The composition of Atlantic salmon feed has changed considerably over the last two decades from being marine-based (fishmeal and fish oil) to mainly containing plant ingredients. Consequently, concern related to traditional persistent contaminants typically associated with fish-based feed has been replaced by other potential contaminants not previo...

This work evaluates the occurrence of pharmaceuticals, with special emphasis on their metabolites, in raw hospital wastewater (HWW) using wide-scope screening based on liquid chromatography coupled to high resolution mass spectrometry. The applied strategy uses an extended purpose-built database, containing >1000 pharmaceuticals and 250 metabolites...

Synthetic cannabinoids (SCs) represented 45% of the new psychoactive substances seizures in Europe (data from 2016). The consumption of SCs is an issue of concern due to the still unknown toxicity and effects on human health, the great variety of compounds synthetized and continuous modifications in their chemical structure to avoid regulatory issu...

Despite the fact that 33% of the new psychoactive substances seized in 2015 were synthetic cathinones, the number of these derivatives has been decreasing in the last years, probably as a consequence of the unfavourable effects reported by users. Thus, the list of possible cathinone analogues is expected to get shorter, and it is likely that the sa...

This work compares the sonochemical degradation of losartan and valsartan (antihypertensives) in water. Initially, the suitable operational conditions of ultrasonic power density and frequency were established. Under such conditions, losartan was eliminated in a higher percentage than valsartan, which was associated to differences in their hydropho...

The potential presence of introduced antibiotics in the aquatic environment is a hot topic of concern, particularly in the Antarctic, a highly vulnerable area protected under the Madrid protocol. The increasing presence of human population, especially during summer, might led to the appearance of pharmaceuticals in wastewater. The previous discover...

The simultaneous degradation of seventeen emerging concern pollutants in effluent from the municipal wastewater treatment plant (MWTP) of Bogotá-Colombia was studied using high frequency ultrasound (375 kHz). The considered compounds in the effluent corresponded to pharmaceuticals (diclofenac, carbamazepine, venlafaxine, ciprofloxacin, norfloxacin,...

In this work, a comprehensive investigation on the occurrence of pesticides in the Paraná 3 hydrographic basin of Paraná State, Brazil, was made by application of wide-scope screening based on ultra-high performance liquid chromatography (LC) and gas chromatography (GC) both coupled to quadrupole time-of-flight mass spectrometry (QTOF MS). The use...

In this work, the oxidation of the antihypertensive drug valsartan by the Electro-Fenton (EF) and photo-electro- Fenton (PEF) processes was studied using a Ti/IrO2 doped with SnO2 as anode, and a carbon felt air diffusion electrode as cathode. Initially, the influence of variables such as supporting electrolyte type, current density, and pH on EF a...

In this work, the sonochemical treatment (at 354 kHz and 88 W L-1) of six relevant antibiotics belonging to fluoroquinolones (ciprofloxacin and norfloxacin), penicillins (oxacillin and cloxacillin) and cephalosporins (cephalexin and cephadroxyl) classes was evaluated. Firstly, the ability of the process to eliminate them was tested, showing that so...

Purpose In this work, a new approach for synthetic cathinone identification in seized products, consisting of a rapid pseudo-target screening using liquid chromatography coupled to low-resolution tandem mass spectrometry (MS/MS), is proposed based on typical common product ions and neutral losses observed for this drug class. Methods The term “pse...

In this study, the feasibility of two sample treatments has been evaluated for the determination of seven neonicotinoid insecticides in honey from different botanical origins using ultra-high performance liquid chromatography coupled to tandem mass spectrometry (UHPLC–MS/MS). A solid phase extraction with a polymeric sorbent (Strata® X) is proposed...

PurposeIn this work, the identification and characterization of the novel synthetic cathinone 5-PPDI found in a suspect drug sample were performed.Methods The suspect sample was analyzed by gas chromatography–mass spectrometry (GC–MS), Fourier-transformed infrared (FTIR) spectroscopy, ultra-high performance liquid chromatography–high-resolution mas...

This work evaluates the Fenton process in the removal of eight pharmaceuticals (gemfibrozil, nimesulide, furosemide, paracetamol, propranolol, dipyrone, fluoxetine, and diazepam), present at an initial concentration of 500»;μg»;L⁻¹ for each compound, from three different water matrixes (distilled water, simulated wastewater, and hospital wastewater...

A key challenge in the environmental and exposure sciences is to establish experimental evidence of the role of chemical exposure in human and environmental systems. High resolution and accurate tandem mass spectrometry (HRMS) is increasingly being used for the analysis of environmental samples. One lauded benefit of HRMS is the possibility to retr...

Pesticide residue analysis is a specialized field of analytical chemistry, where the role of liquid chromatography-mass spectrometry (LC-MS) is of great importance. A highly reliable determination, including both quantification and identification, of pesticide residues in food is required nowadays because of the strict international regulations on...

The aim of this study was to use an untargeted UHPLC-HRMS-based metabolomics approach allowing discrimination between almonds based on their origin and variety. Samples were homogenized, extracted with ACN:H2O (80:20) containing 0.1% HCOOH and injected in a UHPLC-QTOF instrument in both positive and negative ionization modes. Principal component an...

New psychoactive substances have been rapidly growing in popularity in the drug market as non-illegal drugs. In the last few years, an increment has been reported on the use of synthetic alternatives to heroin, the synthetic opioids. Based on the information provided by the European Monitoring Centre for Drug and Drug Addiction, these synthetic opi...

The pesticide chlorpyrifos-methyl (CLP-m) has been identified in plant ingredients intended for aquaculture feed production. To investigate systemic effects of CLP-m with emphasis on lipid metabolism, post-smolt Atlantic salmon were fed in duplicate (n = 2) either diets with no CLP-m (Control) or CLP-m at different concentrations (0.1, 1.0 or 8.0 m...

An isotope dilution mass spectrometry (IDMS) method for the determination of selected endogenous anabolic androgenic steroids (EAAS) in urine by UHPLC-MS/MS has been developed using the isotope pattern deconvolution (IPD) mathematical tool. The method has been successfully validated for testosterone, epitestosterone, androsterone and etiocholanolon...

Three quantification methodologies, namely calibration with internal standard (Cal-IS, non-weighted), weighted calibration with internal standard (wCal-IS) and isotope pattern deconvolution (IPD) have been used for the determination of testosterone in urine by LC-MS/MS. Uncertainty has been calculated and compared for the three methodologies throug...

New psychoactive substances (NPS) are a new breed of synthetically produced substances designed to mimic the effects of traditional illegal drugs. Synthetic cannabinoids and synthetic cathinones are the two most common groups, which try to mimic the effects of the natural compounds ⁹Δ-tetrahydrocannabinol and cathinone, respectively. Similarly, syn...

Chemical analysis of raw wastewater in order to assess the presence of biological markers entering a wastewater treatment plant can provide objective information about the health and lifestyle of the population connected to the sewer system. This work was performed in a tropical country of Central America, Costa Rica, with the aim of extending this...

Plant ingredients and processed animal proteins are alternative feedstuffs for fish feeds in aquaculture. However, their use can introduce contaminants like pesticides that are not previously associated with marine Atlantic salmon and gilthead sea bream farming. This study covers the screening of around 800 pesticides by gas chromatography (GC) and...

After consumption, pharmaceuticals are excreted as parent compounds and/or metabolites in urine and faeces. Some are not completely removed during wastewater treatments, forcing sewage treatment plants (STPs) to apply alternative technologies to guarantee quality of treated water. To monitor the removal efficiency of STPs, not only unchanged compou...

Wastewater-based epidemiology (WBE) employs the analysis of wastewater to detect and quantify drug use and discharge within a community. In this work, transformation products (TP) by microbes in the environment were identified after incubations in wastewater and an isolated microbial strain. The microbial strain was isolated from an enrichment cult...

Nowadays, there is an increasing concern over the presence of contaminants in the aquatic environment, where they can be introduced from wastewater after their incomplete removal in the treatment plants. In this work, degradation of selected emerging pollutants in the aqueous and solid phases of sewage sludge has been investigated after anaerobic d...

Abstract The fraudulent miss-description on food product labels regarding origin or composition is a widespread problem. In this work, a metabolomic approach based on the use of ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS) has been applied to identify the differentiating chemica...

The solid-waste treatment plant of RECIPLASA is located in the municipality of Onda (Castellón province), which is an important agricultural area of Spain, with predominance of citrus crops. In this plant, all urban solid wastes from the town of Castellón (around 200,000 inhabitants) and other smaller towns as Almassora, Benicàssim, Betxí, Borriana...

In this work, two analytical methodologies based on liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) were developed for quantification of emerging pollutants identified in sewage sludge after a previous wide-scope screening. The target list included 13 emerging contaminants (EC): thiabendazole, acesulfame, fenofibric acid, valsa...

A suspicious white powder labelled “idanyl-biphenyl-amninone,” which was seized by customs officials at the "channel island" of Jersey, UK, was brought to our laboratory for identification and characterization of its structure. The elucidation process required the use of several complementary analytical techniques, including gas chromatography–mass...

This work presents a strategy for elucidation of unknown migrants from plastic food contact materials (baby bottles) using a combination of analytical techniques in an untargeted approach. First, gas chromatography (GC) coupled to mass spectrometry (MS) in electron ionisation mode was used to identify migrants through spectral library matching. Whe...

Nowadays, there is an increasing concern over the presence of contaminants in the environment (mainly in the aquatic system) due to the high number of potential pollutants which might be present. Emerging contaminants include compounds such as pharmaceuticals, veterinary drugs, drugs of abuse or many metabolites/transformation products, which are n...

The potential of high-resolution mass spectrometry (HRMS) for the investigation of human in vivo metabolism of 3,4-methylenedioxypyrovalerone (MDPV) using urine collected from a consumer (this is, in non-controlled experiments) has been investigated. As a control sample was not available, the common approach based on the comparison of a control/bla...

This study reports an investigation of omeprazole and venlafaxine parent substances and metabolites in Italian municipal influent wastewaters (IWWs). These pharmaceuticals were selected because they are widely consumed in Italy, but are poorly detected in waste and surface water. The aim of the study was to identify the most relevant pharmaceutical...

Identification of new psychoactive substances (NPS) is challenging. Developing targeted methods for their analysis can be difficult and costly due to their impermanence on the drug scene. Accurate-mass mass spectrometry (AMMS) using a quadrupole time-of-flight (QTOF) analyzer can be useful for wide-scope screening since it provides sensitive, full-...

Venlafaxine, gemfibrozil, ibuprofen, irbesartan and ofloxacin are highly-consumed pharmaceuticals that show considerable removal efficiencies (between 40 and 98%) in wastewater treatment plants (WWTPs). Consequently, they are expected to generate transformation products (TPs) during wastewater treatment and in surface water (SW) receiving WWTP effl...

The use of untargeted metabolomics for the discovery of markers is a promising and virtually unexplored tool in the doping control field. Hybrid quadrupole time-of-flight (QTOF) and hybrid quadrupole Orbitrap (Q Exactive) mass spectrometers, coupled to ultra-high pressure liquid chromatography are excellent tools for this purpose. In the present wo...

We document the presence of a previously unknown species in the urine of patients with acute intermittent porphyria (AIP). The compound was fully characterised by liquid chromatography tandem mass spectrometry. Interpretation of both full spectrum acquisition and product ion spectra acquired in positive and negative ionisation modes by quadrupole t...

A large screening of around 1,000 emerging contaminants , focused on licit and illicit drugs and their metabo-lites, has been made in urban wastewaters (both influent and effluent) and surface waters from the area of Bogotá, Colom-bia. After a simple generic solid-phase extraction (SPE) step with Oasis hydrophilic-lipophilic balanced (HLB) cartridg...