Attenuated Total Reflection Fourier Transform Infrared Spectroscopy and Chemometrics for the Discrimination of Animal Hair Fibers for the Textile Sector.

Analyzing the composition of animal hair fibers in textiles is crucial for ensuring the quality of yarns and fabrics made from animal hair. Among others, Fourier transform infrared (FT-IR) spectroscopy is a technique that identifies vibrations associated with chemical bonds, including those found in amino acid groups. Cashmere, mohair, yak, camel, alpaca, vicuña, llama, and sheep hair fibers were analyzed via attenuated total reflection FT-IR (ATR FT-IR) spectroscopy and scanning electron microscopy techniques aiming at the discrimination among them to identify possible commercial frauds.

Application of Fabric Phase Sorptive Extraction as a Green Method for the Analysis of 10 Anti-Diabetic Drugs in Environmental Water Samples.

Due to the increased prevalence of diabetes, the consumption of anti-diabetic drugs for its treatment has likewise increased. Metformin is an anti-diabetic drug that is commonly prescribed for patients with type 2 diabetes and has been frequently detected in surface water and wastewaters, thus representing an emerging contaminant. Metformin can be prescribed in combination with other classes of anti-diabetic drugs; however, these drugs are not sufficiently investigated in environmental samples.

From a glimpse into the key aspects of calibration and correlation to their practical considerations in chemical analysis.

In this tutorial review, we provide a guiding reference on the good practice in building calibration and correlation experiments, and we explain how the results should be evaluated and interpreted. The review centers on calibration experiments where the relationship between response and concentration is expected to be linear, although certain of the described principles of good practice can be applied to non-linear systems, as well. Furthermore, it gives prominence to the meaning and correct interpretation of some of the statistical terms commonly associated with calibration and regression.

Wax screen-printable ink for massive fabrication of negligible-to-nil cost fabric-based microfluidic (bio)sensing devices for colorimetric analysis of sweat.

Fabric-based microfluidic analytical devices (μADs) have emerged as a promising material for replacing paper μADs thanks to their superior properties in terms of stretchability, mechanical strength, and their wide scope of applicability in wearable devices or embedded in garments. The major obstacle in their widespread use is the lack of a technique enabling their massive fabrication at a negligible-to-nil cost. In response, we report the development of a wax ink with proper thixotropic and hydrophobic properties, fully compatible with automatic screen-printing that allows the one step massive fabrication of microfluidics on a cotton/elastane fabric, with a printing resolution 400 μm (hydrophilic channel) and 1000 μm (hydrophobic barrier), without being necessary any post curing.

Ecotoxicity and rapid degradation of quaternary ammonium compounds (QACs) subjected to combined vacuum UV and UV-C treatment.

Quaternary ammonium compounds (QACs) are active ingredients in a palette of commercially available disinfectants, sanitizers, and biocides. QACs are widely used because of their broad-spectrum antimicrobial properties but the ubiquitous uses have resulted in frequent detection in aquatic and terrestrial matrices including domestic wastewater, surface waters, urban soils and sediments. An increased domestic QACs consumption has increased the environmental occurrence, and investigation of mitigation methods and effects on non-target organisms are in demand.

Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics.

This study proposes a simple approach for the recognition of polyamide 6.9 samples differing in impurity amounts and viscosities (modulated during the synthesis), which are parameters plausibly variable in polymers' manufacturing processes. Infrared spectroscopy (ATR-FTIR) was combined with chemometrics, applying statistical methods to experimental data.

Magnetic Solid-Phase Extraction Based on Silica and Graphene Materials for Sensitive Analysis of Emerging Contaminants in Wastewater with the Aid of UHPLC-Orbitrap-MS.

With the advancement of technology and nanotechnology, new extraction sorbents have been created and effectively used for the magnetic solid-phase extraction of target analytes. Some of the investigated sorbents have better chemical and physical properties, exhibiting high extraction efficiency and strong repeatability, combined with low detection and quantification limits. In this study graphene oxide (GO) magnetic composites were prepared and used as magnetic solid-phase extraction (MSPE) adsorbents along with synthesized silica based magnetic nanoparticles (MNPs) functionalized with the C18 group for the preconcentration of emerging contaminants (ECs) in wastewater samples generated from hospital and urban facilities.

Application of Fabric Phase Sorptive Extraction (FPSE) Engaged to Tandem LC-MS/MS for Quantification of Brorphine in Oral Fluid.

Brorphine (1-[1-[1-(4-bromophenyl) ethyl]-piperidin-4-yl]-1,3-dihydro-2H-benzo [d]imidazol-2-one) is one of the most recent novel synthetic opioids (NSOs) on the novel psychoactive substances (NPSs) market, involved in over 100 deaths in 2020. Brorphine is a substituted piperidine-benzimidazolone analogue that retains structural similarities to fentanyl, acting as a full agonist at the μ-opioid receptor. Oral Fluid (OF) is an alternative matrix, frequently analyzed for the detection of NPS.

Investigation of the Aquatic Photolytic and Photocatalytic Degradation of Citalopram.

This study investigated the direct and indirect photochemical degradation of citalopram (CIT), a selective serotonin reuptake inhibitor (SSRI), under natural and artificial solar radiation. Experiments were conducted in a variety of different operating conditions including Milli-Q (MQ) water and natural waters (lake water and municipal WWT effluent), as well as in the presence of natural water constituents (organic matter, nitrate and bicarbonate). Results showed that indirect photolysis can be an important degradation process in the aquatic environment since citalopram photo-transformation in the natural waters was accelerated in comparison to MQ water both under natural and simulated solar irradiation.

Quantification and Classification of Diclofenac Sodium Content in Dispersed Commercially Available Tablets by Attenuated Total Reflection Infrared Spectroscopy and Multivariate Data Analysis.

A new methodology, based on Fourier transform infrared spectroscopy equipped with an attenuated total reflectance accessory (ATR FT-IR), was developed for the determination of diclofenac sodium (DS) in dispersed commercially available tablets using chemometric tools such as partial least squares (PLS) coupled with discriminant analysis (PLS-DA). The results of PLS-DA depicted a perfect classification of the tablets into three different groups based on their DS concentrations, while the developed model with PLS had a sufficiently low root mean square error (RMSE) for the prediction of the samples' concentration (~5%) and therefore can be practically used for any tablet with an unknown concentration of DS. Comparison with ultraviolet/visible (UV/Vis) spectrophotometry as the reference method revealed no significant difference between the two methods.

Phototransformation of Three Psychoactive Drugs in Presence of Sedimental Water Extractable Organic Matter.

Psychoactive drugs are classified as contaminants of emerging concern but there is limited information on their fate in surface waters. Here, we studied the photodegradation of three psychoactive drugs (sertraline, clozapine, and citalopram) in the presence of organic matter (WEOM) extracted under mild conditions from sediment of Lake Pamvotis, Greece. Spectral characterization of WEOM confirmed its humic-like nature.

Study of the photoinduced transformations of sertraline in aqueous media.

In the present study, the photoinduced degradation of the antidepressant drug sertraline under artificial solar radiation was examined. Photolysis was studied under different experimental conditions to explore its photolytic fate in the aqueous environment. Photolytic degradation kinetics were carried out in ultrapure water, wastewater effluent, as well as in the presence of dissolved organic matter (humic acids), bicarbonate and nitrate ions which enabled their assessment on sertraline photo-transformation.

Sustainable production of a new generation biofuel by lipase-catalyzed esterification of fatty acids from liquid industrial waste biomass.

In this work we suggest a methodology comprising the design and use of cost-effective, sustainable, and environmentally friendly process for biofuel production compatible with the market demands. A new generation biofuel is produced using fatty acids, which were generated from acidogenesis of industrial wastes of bioethanol distilleries, and esterified with selected alcohols by immobilized Candida antarctica Lipase-B. Suitable reactors with significant parameters and conditions were studied through experimental design, and novel esterification processes were suggested; among others, the continuous removal of the produced water was provided.

Effects of anti-androgens cyproterone acetate, linuron, vinclozolin, and p,p'-DDE on the reproductive organs of the copepod Acartia tonsa.

The study was performed to detect the effects of anti-androgenic compounds on the reproduction. In this paper alterations observed in the marine calanoid copepod Acartia tonsa exposed to environmental concentrations of cyproterone acetate (CPA), linuron (LIN), vinclozolin (VIN), and 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene (p,p'-DDE) for 21 days covering a full life cycle are described. Histological alterations were studied with a focus on reproductive organs, gonad and accessory sexual glands.

Chemometric optimization of dispersive suspended microextraction followed by gas chromatography-mass spectrometry for the determination of polycyclic aromatic hydrocarbons in natural waters.

A dispersive suspended microextraction (DSME) method coupled with gas chromatography-mass spectrometry (GC-MS) was developed and validated for the simultaneous determination of ten polycyclic aromatic hydrocarbons in real water samples. The optimization of the method was achieved with a 2(7-4) Plackett-Burman design, while the significant factors were optimized using a central composite design (CCD). The parameters that were studied included the sample volume, organic solvent volume, extraction time, restoration time and organic solvent.

Residues of selected polychlorinated biphenyls (PCB) and organochlorine pesticides (OCP) in postmortem lungs from Epirus, northwestern Greece.

Organochlorine (OC) pesticides and polychlorinated biphenyls (PCB) are compounds characterized as persistent organic pollutants (POP) in the environment. These compounds are monitored globally since they enter the human body and accumulate in tissues, resulting in consequent adverse effects. In this study concentrations of selected OC compounds were determined in human autopsy lungs from Epirus, a relatively restricted region in northwestern Greece.

Evaluation of magnetic nanoparticles to serve as solid-phase extraction sorbents for the determination of endocrine disruptors in milk samples by gas chromatography mass spectrometry.

A rapid magnetic solid-phase extraction (MSPE) is proposed based on C18-functionalized magnetic silica nanoparticles as sorbents, for the determination of endocrine disruptors - 20 organochlorine pesticides and 6 polychlorinated biphenyls - in milk samples. Magnetic nanoparticles are characterized by several techniques, such as Scanning Electron Microscopy, X-Ray diffraction, Brunauer-Emmett-Teller and Fourier transform-infrared. The MSPE is performed by dispersion of the Fe3O4@SiO2@C18 nanoparticles in milk samples with sonication, after protein precipitation.

Effects of methyltestosterone, letrozole, triphenyltin and fenarimol on histology of reproductive organs of the copepod Acartia tonsa.

The marine calanoid copepod Acartia tonsa was exposed to methyltestosterone (MET, 1.6-126 μg L(-1)), letrozole (LET, 10-1000 μg L(-1)), triphenyltin chloride (TPT, 0.0014-0.

Evaluation of matrix solid-phase dispersion extraction for the determination of polycyclic aromatic hydrocarbons in household dust with the aid of experimental design and response surface methodology.

A simple, fast, and inexpensive procedure for sample preparation based on matrix solid-phase dispersion was developed for the determination of Environmental Protection Agency 16 priority polycyclic aromatic hydrocarbons in indoor dust samples. Parameters that affect the extraction efficiency such as type of dispersant, elution solvent, and solvent volume were evaluated and optimized with the aid of experimental design and response surface methodology. Analysis was performed by HPLC coupled with UV-Vis diode array detector (UV-DAD).

Development and application of chemometric-assisted dispersive liquid-liquid microextraction for the determination of suspected fragrance allergens in water samples.

A simple and green method based on dispersive liquid-liquid microextraction, mated to chemometrics and followed by mass spectrometric detection for the determination of suspected fragrance allergens in water samples is developed and assessed in this work. Volume of extraction and disperser solvent, pH, ionic strength, extraction time, sample volume, as well as centrifugation time were initially optimized in a fractional factorial design. The obtained significant factors were optimized by using a central composite design and the quadratic model between the dependent and the independent variables was built.

Determination of organochlorine pesticides and polychlorinated biphenyls in post-mortem human lung by matrix solid-phase dispersion with the aid of response surface methodology and desirability function.

A matrix solid-phase dispersion (MSPD) method for the simultaneous determination of 20 organochlorine pesticides (OCPs) (aldrin, endrin, dieldrin, α-BHC, β-BHC, γ-BHC, δ-BHC, α-chlordane, γ-chlordane, p,p'-DDE, p,p'-DDT, p,p'-DDD, endosulfan I, endosulfan II, endosulfan sulfate, endrin aldehyde, heptachlor, heptachlor epoxide, endrin ketone and methoxychlor) and six polychlorinated biphenyl (PCB) congeners (PCB 28, 52, 101, 138, 153 and 180) in post-mortem human lung has been developed and validated. Response surface methodology (RSM) and desirability function were employed to optimize the extraction conditions of MSPD. Extraction was carried out using Florisil (2.

Effect of chromatographic parameters and detector settings on the response of HILIC-evaporative light-scattering detection system using experimental design approach and multicriteria optimization methodology.

Four polar compounds, i.e. pantothenic acid, inositol, taurine and caffeine were used as probe solutes in conjunction with chemometric methods to find out meaningful implications of chromatographic conditions and detector settings on the system performance.

Sensitive determination of pesticides residues in wine samples with the aid of single-drop microextraction and response surface methodology.

The multi-residue trace-level determination of six pesticides (diazinon, dimethoate, chlorpyrifos, vinclozolin, fenthion and quinalphos) in wine samples, after their single-drop microextraction (SDME) is presented herein. The extraction procedure was optimized using the multivariate optimization approach following a two-stage process. The first screening experimental design brought out the significant parameters and was followed by a central composite design (CCD) experiment, which revealed the simultaneous effect of the significant factors affecting the SDME process.

Photocatalytic degradation using design of experiments: a review and example of the Congo red degradation.

The use of chemometric methods such as response surface methodology (RSM) based on statistical design of experiments (DOEs) is becoming increasingly widespread in several sciences such as analytical chemistry, engineering and environmental chemistry. Applied catalysis, is certainly not the exception. It is clear that photocatalytic processes mated with chemometric experimental design play a crucial role in the ability of reaching the optimum of the catalytic reactions.

Application of chemometric assisted dispersive liquid-liquid microextraction to the determination of personal care products in natural waters.

A rapid and simple method for the determination of two phthalates and five polycyclic musks in water samples using dispersive liquid-liquid microextraction (DLLME) mated to chemometrics and coupled to GC-MS was developed. Volume of extraction (CCl4) and disperser solvent (MeOH), pH, ionic strength, extraction time, centrifugation time as well as centrifugation speed were optimized in a 2(7-4) Plackett-Burman design. The obtained significant factors were optimized by using a central composite design (CCD) and the quadratic model between the dependent and the independent variables was built.