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Drug overdoses have risen dramatically in recent years. We developed a simple nontargeted method using a disposable paper spray cartridge with an integrated solid phase extraction column. This method was used to screen for ~160 fentanyl analogs, synthetic cannabinoids, other synthetic drugs, and traditional drugs of abuse in over 300 authentic overdose samples collected at emergency departments in Indianapolis. A solid phase extraction step was implemented on the paper spray cartridge to enable subnanograms per milliliter synthetic drugs screening in plasma. Analysis was performed on a quadrupole orbitrap mass spectrometer using the sequential window acquisition of all theoretical fragment ion spectra approach in which tandem mass spectrometry was performed using 7 m/z isolation windows in the quadrupole. Calibration curves with isotopically labeled internal standards were constructed for 35 of the most frequently encountered synthetic and traditional illicit drugs by US toxicology labs. Additional qualitative-only drugs in a suspect screening list were also included. Limits of detection in plasma for synthetic cannabinoids ranged from 0.1 to 0.5 and 0.1 to 0.3 ng/mL for fentanyl and its analogs and between 1 and 5 ng/mL for most other drugs. Relative matrix effects were evaluated by determining the variation of the calibration slope in 10 different lots of biofluid and found to be between 3% and 20%. The method was validated on authentic overdose samples collected from two emergency departments in Indianapolis, Indiana, from suspected or known overdoses. Commonly detected synthetic drugs included fentanyl related substances, designer benzodiazepines such as flubromazolam, and the synthetic cannabinoid 5F-PB-22., (© 2024 The Authors. Drug Testing and Analysis published by John Wiley & Sons Ltd.)

The ability to detect newly emerging substances is of great importance in reducing harms for people who use drugs. New psychoactive substances including novel benzodiazepines in the illicit drug supply have been linked to high rates of overdose deaths while complicating drug checking as an overdose prevention strategy. Paper-spray mass spectrometry (PS-MS) has emerged as a novel strategy to rapidly detect trace components in street drug samples. While targeted, low-resolution PS-MS methods have proven effective, newly emerging substances are often missed. To address this, a method was applied to low-resolution full-scan PS-MS data to aid in the early detection and identification of novel benzodiazepines in the unregulated drug supply. Using the developed method, true positives rates of 0.89 and 0.75 were achieved for bromazolam and etizolam in street samples obtained in a community drug checking service. The applicability of the method was further demonstrated for a novel benzodiazepine, desalkylgidazepam, that has recently emerged in the illicit drug supply., (© 2023 The Authors. Drug Testing and Analysis published by John Wiley & Sons Ltd.)

Adsorbents play a significant role in enhancing the analytical sensitivity of target analytes in complex samples by mitigating matrix effects. In our recent report, ZnO stood out among various adsorbents to determine target therapeutic drugs in complex biological matrices when applied for portable paper-based electrospray ionization mass spectrometry (PPESI-MS). However, the influence of the morphology of ZnO on the performance of PPESI-MS is elusive. Herein, different morphologies of ZnO particles were prepared via co-precipitation or ultrasonic methods, and their capability to determine different therapeutic drugs in serum were systemically investigated. The results demonstrated that flower-shaped ZnO gave a superior capacity, and its analysis sensitivity was 2.9-12.8-fold higher than those achieved with other ZnO morphologies. Further characterization revealed that the unique performance of flower-shaped ZnO was closely associated with its favorable desorption behavior to drugs, small spray plume, and few spray emitters at the tip of coated paper substrate. To illustrate the potential of flower-shaped ZnO, its coated paper was used as a substrate for the determination of various drugs in complex matrices such as serum, and a limit of detection as low as 2 pg mL -1 was achieved. The corresponding recoveries ranged from 93.2% to 107.2%. The developed protocol is promising in high-sensitivity analysis of target drugs in complex sample matrices., (© 2024 John Wiley & Sons Ltd.)

Background: Deinking is an important part of paper recycling that involves the removal of ink particles from the paper fibres. This industrial process is important so that the fibres can be recirculated back into paper production, which enables better sustainability as fewer fresh fibres are needed. In this study, we examined five different alternative fibre materials from different agricultural residues and industrial processes for the pilot production of papers. Papers containing fibres from invasive plants (Japanese knotweed), dedicated crops (miscanthus, acacia), agricultural residues (tomato stems), and industrial waste (jute - fibres from coffee bags) were printed with water-based flexo inks and deinked with two separate processes (chemical and enzymes). Mechanical (break and tensile index, breaking length) and optical properties (ISO whiteness, brightness and CIE L*a*b* values) were measured and ink elimination IR700 and deinking efficiency was calculated for the two deinking processes., Results: Enzymatic treatment improved the mechanical properties of deinked pulp in comparison with the classic chemical treatment. Mechanical strength for almost all papers increased slightly (breaking length up to 20% in tomato and jute), and the optical result (brightness) increased similarly for both processes due to the bleaching action of the colour-shaded samples, whereas the deinking efficiency showed mixed results between chemical- and enzyme-type deinking (with chemical achieving better elimination measured at 700 nm) in the typical range of ink elimination values (15-35%) for flexographic inks. This indicates further optimization of the deinking with enzymes is needed due to different alternative fibre compositions and variations of residues in the delignification processes., Conclusion: Using a combination of adjusted enzymatic treatment as a precursor for deinking of paper-based packaging materials sourced from alternative fibres showed promising results regarding mechanical properties, whereas the optical properties need to be improved with cellulase optimization or by using mixes of different enzymes. These kinds of paper materials printed with flexo inks were found to be successfully deinkable with the chemical ISO-based deinking protocol. © 2022 Society of Chemical Industry., (© 2022 Society of Chemical Industry.)

Background: Flexible surface-enhanced Raman spectroscopy (SERS) substrates such as paper-based substrates show great potential for rapid detection of residual chemicals on food surfaces. However, controlling the density and distribution of metallic nanoparticles adsorbed on the paper is still challenging., Results: The amount of gold (Au) nanospheres (51 ± 4 nm) attached on the filter paper modified with 3-aminopropyltriethoxysilane (APTES) was tunable, increasing as the level of APTES (2.5-15.0 g kg -1 ) applied for paper modification increased. Moreover, the Au nanospheres were relative evenly distributed on the filter paper modified with 2.5-10.0 g kg -1 of APTES, which resulted in excellent intra- and inter-reproducibility of SERS signals for pesticides including thiram, diquat dibromide, and paraquat dichloride (relative standard deviation = 2.2-10.1%). The modified paper-based substrate could be used to detect as low as 0.05-0.2 mg L -1 of pesticides in standard solutions, and as low as 5-20 ng cm -2 of residual pesticides on apple skins with minimum sample pretreatment., Conclusion: This paper-based substrate with tunable feature for the density and distribution of nanoparticles is applicable for rapid SERS detection of residual pesticides in fruits and vegetables. © 2023 Society of Chemical Industry., (© 2023 Society of Chemical Industry.)

Drug misuse in prisons contributes to increased disruption and violence and negatively impacts prisoner safety, rehabilitation, and recovery. Synthetic cannabinoid receptor agonists (SCRAs), colloquially known as "spice", are infused into papers and are of particular concern in a prison setting where they are commonly vaped. Methods for the qualitative and quantitative analysis of SCRA infused papers, including impurity profiling, were developed using gas chromatography-mass spectrometry (GC-MS) with qualitative confirmation by ultra high pressure liquid chromatography with photodiode array and quadrupole time of flight mass spectrometry detection (UPLC-PDA-QToF-MS) and applied to 354 individual seized paper samples originating from 168 seizures from three Scottish prisons. Of these samples, 41% (146 samples from 101 seizures) contained at least one SCRA and multiple SCRAs were detected on 23% of these papers. Concentrations ranged from < 0.05-1.17 mg/cm 2 paper, representing the first reported quantitative data for SCRA infused papers. An evolution in the SCRAs detected was demonstrated; 5F-MDMB-PINACA (5F-ADB) predominated until late 2018, after which time 5F-MDMB-PICA and 4F-MDMB-BINACA became increasingly more prevalent, followed by the arrival of MDMB-4en-PINACA in June 2019. Concentration mapping data from two seized paper samples demonstrated that SCRA concentrations across larger papers were highly variable (0.47-2.38 mg/cm 2 paper) making consistent dosing by users, and representative sampling by laboratory analysts, difficult. Near real-time qualitative and quantitative information on SCRAs circulating in prisons acts as an early warning system for SCRAs emerging on the wider illicit market, inform the methods used to detect them and limit supply, and provide information to support harm reduction measures., (© 2020 John Wiley & Sons, Ltd.)

Due to the much lower production costs but similar effects to lysergic acid diethylamide (LSD), phenethylamine derivatives are sold as a cheaper replacement or deceptively as LSD itself. These potent hallucinogenic substances can lead to severe intoxication, thus a more profound understanding of their use is required. This includes the elucidation of the manufacturing processes for the commonly used blotter papers and the assessment of the risk of overdosing because of a heterogeneous distribution on the blotter papers. Besides the rapid detection of the analytes, the manufacturing process was elucidated by three different imaging techniques and liquid chromatography-mass spectrometry (LC-MS). A blotter paper sample, containing the two hallucinogenic phenethylamine derivatives 25I-NBOMe and 25C-NBOMe, was analyzed by complementary techniques such as micro x-ray fluorescence (μXRF), laser ablation (LA)-inductively coupled plasma-optical emission spectroscopy (ICP-OES), matrix assisted laser desorption ionization (MALDI)-MS, and with LC-MS after extraction. Using the signal from chlorine and iodine within the compounds, μXRF proved to be the fastest, cheapest and easiest method for identification, requiring no sample preparation at all. LA-ICP-OES provided three-dimensional information of the elements in the blotter paper. These results helped to confirm the assumption that manufacturers spray the compounds onto the paper. Whereas μXRF and LA-ICP-OES detected signals for chlorine and iodine, MALDI-MS-imaging showed the molecular distribution of both analytes. LC-MS analyses as a complementary method support the imaging results. Quantitative results for different drug hotspots revealed a heterogeneous distribution of the drugs on the blotter paper implying an inherent risk of overdosing for consumers., (© 2019 The Authors. Drug Testing and Analysis published by John Wiley & Sons Ltd.)

Carfentanil is one of the most potent synthetic opioids ever developed, with an estimated analgesic potency approximately 20-100 times that of fentanyl and 10,000 times that of morphine. Carfentanil has been appearing in the illicit drug supply in many regions and has been linked to fatal overdose events. A subset of 59 street drug samples obtained in Victoria, B.C., that were confirmed to contain carfentanil were analyzed by mass spectrometry for this study. Carfentanil quantitation by paper spray mass spectrometry ranged from 0.05 to 2.95 w/w% (median = 0.32%) in the original drug sample. Paper spray mass spectrometry analysis also detected two unknown peaks at m/z 380.2 and 381.2 in 31 of these 59 samples (53%). Initial tandem mass spectrometry experiments revealed structural similarities between these unknown compounds and carfentanil, suggesting they were potential structural analogs, possibly arising from incomplete purification during synthesis. High-resolution mass spectrometry determined the chemical formulas of these compounds as C 23 H 29 N 3 O 2 (m/z 380.2333) and C 23 H 29 N 2 O 3 (m/z 381.2137). Literature and tandem mass spectrometry results were used to determine the identity of these potential new psychoactive substances, C 23 H 29 N 3 O 2 as desmethylcarfentanil amide and C 23 H 29 N 2 O 3 as desmethylcarfentanil acid. μ-Opioid receptor binding modeling determined that the binding poses of these analogs were nearly identical to that of carfentanil with relative binding energy calculations of 0.544 kJ/mol (desmethylcarfentanil amide) and -0.171 kJ/mol (desmethylcarfentanil acid); these data suggest they may share the toxic effects of carfentanil and have similar potencies., (© 2023 John Wiley & Sons Ltd.)

Latent fingerprints at crime scenes are frequently recovered using forensic gel-lifters, which can help to preserve the crime scene and to enhance visualisation of traces such as blood or paint. In addition to providing fingerprint ridge detail, additional chemical information can also be recovered from gel lifts that may prove pertinent to an investigation. However, while DNA and metal ions have been shown to be able to be detected in gel-lifted fingerprints, the determination of other types of chemical information such as the presence of drugs in gel-lifted prints has not been previously shown. This study demonstrates the application of an ambient ionisation method, sheath flow probe electrospray ionisation-mass spectrometry (sfPESI-MS), to the direct analysis of gel-lifted fingerprints. A model drug compound (zolpidem) is successfully detected from gel-lifted prints from three different surface types: glass, metal, and paper. The surface activity-based separation associated with probe electrospray approaches is shown to resolve zolpidem ions from background phthalate species, significantly enhancing the response obtained from the gel-lifter. A depletion series experiment shows that the drug residue can be detected with up to 100% efficiency after eight consecutive contacts; however, detection efficiency drops to 20% after 30 contacts. The developed approach has potential application to analysis of historical gel-lifters to obtain additional chemical information., (© 2024 The Authors. Drug Testing and Analysis published by John Wiley & Sons Ltd.)

Recently, lysergic acid diethylamide (LSD) analogs have appeared worldwide as designer drugs. In this study, we identified a distributed LSD analog from a paper-sheet product. Gas chromatography-mass spectrometry (GC-MS), liquid chromatography-photodiode array-mass spectrometry (LC-PDA-MS), and liquid chromatography with hybrid quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) were used to analyze the sheet product. The sheet product claimed to contain 1-(1,2-dimethylcyclobutanoyl)-N,N-diethyllysergamide (1D-LSD). However, an unknown compound was detected in the product together with tryptamine and L-tryptophan methyl ester. This compound was isolated from the sheets and identified as 1-(thiophene-2-carbonyl)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8β-carboxamide (1-thiophenoyl LSD; 1-(2-thienoyl)-LSD, 1T-LSD), using 1 H, 13 C nuclear magnetic resonance (NMR) spectroscopy and various two-dimensional NMR techniques. 1T-LSD was shown to have the thiophene-2-carbonyl group at the N 1 position instead of the 1,2-dimethylcyclobutane-carbonyl group as claimed. The amount of 1T-LSD (free base) in three individual unit from one sheet was determined to be 87-100 μg per unit using a proton-specific quantitative NMR ( 1 H-qNMR) method. Deacylation of 1T-LSD to LSD was also observed to occur in methanol-d 4 during NMR analysis. The UV spectrum of 1T-LSD differed from that of other LSD analogs, and the fluorescence sensitivity was much lower. Because of concerns about the future distribution of products containing new LSD analogs, continued monitoring of newly detected compounds in sheet products is encouraged., (© 2023 John Wiley & Sons Ltd.)

The greatest challenge for European drug policies is how to effectively respond to the dynamic and constantly changing market for new psychoactive substances (NPS). Even small modifications in the chemical structure of substances often allow circumventing existing laws. Also in prison, the consumption of NPS is rising and there is growing evidence that NPS are responsible for a large share of drug-related problems. Ion mobility spectrometry (IMS) is the technique of choice for trace analysis of illicit drugs or explosives at security points, for example airports. Currently, databases of the reduced mobility (K 0 ) values are limited to classical drugs and should be completed with data of emerging NPS. In this article, K 0 values, LODs (0.7-3.6 ng) and drift times of 25 synthetic cannabinoids were evaluated. The data were added to existing databases of IMS which were then applied for fast screening in prison. The detection capability of the portable IMS technique was evaluated by the determination of intra-day (0.089%) and inter-day precision (0.004% to 0.14%), systematic error (0.19%), and separation capability for structurally related NPS. The applicability of the methodology was demonstrated by the successful analysis of 12 different pieces of paper impregnated with synthetic cannabinoids, 7 different cosmetics, and 5 food samples (liquids), spiked with a mixture of narcotic drugs and a synthetic cannabinoid. In addition, 14 herbal mixtures and 36 different casework samples from prisons were analyzed provided by the State Office of Criminal Investigation Rhineland-Palatinate (Germany)., (© 2019 John Wiley & Sons, Ltd.)

This special volume of The Anatomical Record honors the life-long commitment to anatomy and paleontology by Professor Peter Dodson (Emeritus, University of Pennsylvania). Peter's legacy is not only rooted in his own research interests, but also in the wealth of former students he mentored over his career, many of whom have made their own new contributions to the fields of anatomy and paleontology through original scientific investigation. Within these 18 scientific papers, which cover multiple taxa, multiple continents, and multiple methodologies, each of the contributors brought to this volume their own unique work that can be traced back to some form of inspiration by the honoree., (© 2023 American Association for Anatomy.)

Aiming at developing an easily implementable method for on-site analysis to detect urea adulteration in feed ingredients, a simple and inexpensive paper strip for urea detection via colorimetric assay is herein presented. The paper strip can be simply fabricated by immobilizing urease with bromothymol blue (BTB) as a pH indicator on cellulose fiber. Upon dipping the paper strip into the target sample, the release of ammonia during the reaction between urea in the sample and urease on the paper strip causes a pH change that results in the development of a blue color, thus indicating the presence of urea. A semiquantitative detection method was developed on the basis of the color change on the paper strip, which can be detected by naked eyes and compared with a color chart made by spiking urea at concentrations varying from 0.10% to 1.0% (w/w) in animal protein and fishmeal samples. Moreover, quantitative data were obtained by taking a picture with a smartphone camera and measuring the color intensity using ImageJ software. A comparison between BTB and phenol red as pH indicators revealed that the former afforded better results in terms of resolution. Under optimal conditions, good linear responses of blue intensity were obtained in a concentration range of 0.10%-1.0% (w/w). The recovery was determined to range between 98.1% and 118.3% with a relative standard deviation of <5%. The developed paper strip assay was applied to determine urea in animal protein and fishmeal, finding good agreement with the official AOAC method (No. 967.07). The present paper strip is rapid and requires neither sophisticated devices nor skilled personnel, allowing its use by quality controllers for the routine on-site detection of the urea adulteration of raw materials., Competing Interests: The authors declare that they have no competing interests., (© 2023 The Authors. Food Science & Nutrition published by Wiley Periodicals LLC.)

Synthetic cannabinoid receptor agonists (SCRAs) elicit many of their psychoactive effects via type-1 human cannabinoid (CB 1 ) receptors. Enantiomer pairs of eight tert-leucinate or valinate indole- and indazole-3-carboxamide SCRAs were synthesized and their CB 1 potency and efficacy assessed using an in vitro β-arrestin recruitment assay in a HEK239T stable cell system. A chiral high-performance liquid chromatography method with photodiode array and/or quadrupole time-of-flight-mass spectrometry detection (HPLC-PDA and HPLC-PDA-QToF-MS) was applied to 177 SCRA-infused paper samples seized in Scottish prisons between 2018 and 2020. In most samples, SCRAs were almost enantiopure (S)-enantiomer (>98% of total chromatographic peak area), although in some (n = 18), 2% to 16% of the (R)-enantiomer was detected. (S)-enantiomers are consistently more potent than (R)-enantiomers and often more efficacious. The importance of SCRA-CB 1 receptor interactions in the "head" or "linked group" moiety is demonstrated, with the conformation of the "bulky" tert-leucinate group greatly affecting potency (by up to a factor of 374), significantly greater than the difference observed between valinate SCRA enantiomers. (S)-MDMB-4en-PINACA, (S)-4F-MDMB-BINACA, and (S)-5F-MDMB-PICA are currently the most prevalent SCRAs in Scottish prisons, and all have similar high potency (EC 50 , 1-5 nM) and efficacy. Infused paper samples were compared using estimated intrinsic efficacy at the CB 1 receptor (EIE CB1 ) to evaluate samples with variable SCRA content. Given their similar potency and efficacy, any variation in CB 1 receptor-mediated psychoactive effects are likely to derive from variation in dose, mode of use, pharmacokinetic differences, and individual factors affecting the user, rather than differences in the specific SCRA present., (© 2020 John Wiley & Sons, Ltd.)

Synthetic cannabinoid receptor agonists (SCRAs), colloquially known as "spice," are commonly used in prisons and enter establishments via the mail in the form of infused papers. Many prisons use benchtop ion mobility spectroscopy (IMS) instruments to screen mail and seized materials for the presence of SCRAs and other controlled substances. The selectivity and sensitivity of Rapiscan Itemiser ® 3E and Itemiser ® 4DN Ion Trap Mobility Spectroscopy™ (ITMS™) systems were evaluated using 21 SCRA reference standards. Some differences in the SCRA reduced mobility (K 0 ) values were observed between this study and those reported previously using IMS detection systems, particularly for cumyl and quinolinyl SCRAs (e.g., 5F-PB-22, Cumyl-4CN-BINACA, and 5F-Cumyl-PEGACLONE), although this was found to have little effect at an operational level. Operational reliability of the systems was evaluated by analyzing 392 paper and card samples with known drug content. ITMS™ system results (e.g., detect or nondetect) were in agreement with gas chromatography-mass spectrometry (GC-MS) analysis in up to 95% of samples tested. Overall, this study found the ITMS™ systems tested to be effective instruments when deployed for the rapid detection of SCRA-infused papers. Used effectively and with up-to-date substance libraries, they will help reduce the supply of SCRAs into prisons and identify emerging threats as they arise. Several emerging SCRAs (5F-MPP-PICA, 5F-EMB-PICA, and 4F-MDMB-BICA) were detected for the first time in Scottish prisons between May and August 2020 as a result of routine monitoring, and all were detected using the ITMS™ systems tested., (© 2021 John Wiley & Sons, Ltd.)

Oxygen is an essential regulator of cellular function and phenotype. Despite its importance, the incorporation of physiologically relevant oxygen tensions is often overlooked in experimental setups. Ambient oxygen tensions (pO 2 ∼152 mmHg) are significantly higher than those in the alveolar-capillary barrier of the lung, which is the most oxygen-rich interface in the body (pO 2 ∼104 mmHg). The discrepancy between standard culture practices and physiologically relevant oxygen tensions is more pronounced when considering the hepatocyte-lined sinusoids of the liver, whose pO 2 values range from 65 mm Hg in the periportal region to 30 mm Hg in the perivenous region. Our previous work highlights the need to transition from standard culture conditions to more physiologically relevant microenvironments when predicting hepatocyte responses to drug candidates or potential toxins. This protocol details an experimental pipeline for quantifying differences in transcript levels, protein levels, and activity of the cytochrome P450 1A (CYP1A) enzyme family in hepatocytes maintained in a three-dimensional environment at ambient and physiologically relevant oxygen tensions. We quantify changes in transcript with qRT-PCR, protein expression with western blots, and activity with the ethoxyresorufin-O-deethylase (EROD) assay. This approach can be adapted to any drug-metabolizing enzyme. © 2023 Wiley Periodicals LLC. Basic Protocol 1: Preparing tissue-like environments to evaluate HepG2 cells in paper-based cell culture platform at physiological oxygen levels Basic Protocol 2: Evaluating CYP1A activity of hepatocytes grown in the paper scaffolds using the EROD assay Basic Protocol 3: Evaluating CYP1A transcript levels of hepatocytes grown in the paper scaffolds using RT-qPCR Basic Protocol 4: Evaluating CYP1A protein levels of hepatocytes grown in the paper scaffolds using western blotting., (© 2023 Wiley Periodicals LLC.)

Background: Chlorpyrifos is a commonly used organophosphorus pesticide in agriculture. However, its neurotoxicity poses a huge threat to human health. In the present study, a chitosan-modified filter paper-based surface enhanced Raman scattering active substrate (Ch/AgNPs/paper) was fabricated and used to detect trace amounts of chlorpyrifos in 120 treated wheat samples., Results: Results showed that the Ch/AgNPs/paper substrate could be used to enhance the chlorpyrifos spectral fingerprint only up to a concentration of 0.000558 mg L -1 . Following Raman spectra acquisition, three pre-processing methods, including Savitzky-Golay (Savitsky-Golay filter with a second order polynomial) smoothing with first derivative and second derivative and normalization, were used to reduce baseline variation and increase resolutions of spectral peak features of the original spectra dataset. Then, prediction models based on partial least squares were established for detecting chlorpyrifos pesticide residue in wheat. The partial least squares model with normalization yielded optimal result, with a correlation coefficient of 0.9764, root mean square error of prediction of 1.22 mg L -1 in the prediction, and relative analysis deviation of 4.12. Five unknown samples were prepared to verify the accuracy of the prediction model. The predicted recoveries were calculated to be between 97.25% and 119.38% with an absolute t value of 0.598. The value of a t-test shows that the prediction model is accurate and reliable., Conclusion: The present study demonstrates that the proposed method can achieve rapid detection of chlorpyrifos in wheat. © 2022 Society of Chemical Industry., (© 2022 Society of Chemical Industry.)

Protein ORIGAMI (http://ibg.kit.edu/protein&#95;origami) is a browser-based web application that allows the user to create straightforward 3D paper models of folded peptides for research, teaching and presentations. An amino acid sequence can be turned into α-helices, β-strands and random coils that can be printed out and folded into properly scaled models, with a color code denoting the biophysical characteristics of each amino acid residue (hydrophobicity, charge, etc.). These models provide an intuitive visual and tactile understanding of peptide interactions with other partners, such as helix-helix assembly, oligomerization, membrane binding, or pore formation. Helices can also be displayed as a helical wheel or helical mesh in 2D graphics, to be used in publications or presentations. The highly versatile programme Protein ORIGAMI is also suited to create less conventional helices with arbitrary pitch (e.g., 3 10 -helix, π-helix, or left-handed helices). Noncanonical amino acids, labels and different terminal modifications can be defined and displayed at will, and different protonation states can be shown. In addition to the web application, the program source code can be downloaded and installed locally on a PC. The printed paper models can be readily used for daily research and discussions, just as for educational purposes and teaching. © 2018 by The International Union of Biochemistry and Molecular Biology, 46:403-409, 2018., (© 2018 The International Union of Biochemistry and Molecular Biology.)

During the coronavirus pandemic, changes in the way science is done and shared occurred, which motivates meta-research to help understand science communication in crises and improve its effectiveness. The objective is to study how many Spanish scientific papers on COVID-19 published during 2020 share their research data. Qualitative and descriptive study applying nine attributes: (a) availability, (b) accessibility, (c) format, (d) licensing, (e) linkage, (f) funding, (g) editorial policy, (h) content, and (i) statistics. We analyzed 1,340 papers, 1,173 (87.5%) did not have research data. A total of 12.5% share their research data of which 2.1% share their data in repositories, 5% share their data through a simple request, 0.2% do not have permission to share their data, and 5.2% share their data as supplementary material. There is a small percentage that shares their research data; however, it demonstrates the researchers' poor knowledge on how to properly share their research data and their lack of knowledge on what is research data., (© 2022 The Authors. Journal of the Association for Information Science and Technology published by Wiley Periodicals LLC on behalf of Association for Information Science and Technology.)

Early warning systems detect new psychoactive substances (NPS), while dedicated monitoring programs and routine drug and toxicology testing identify fluctuations in prevalence. We report the increasing prevalence of the synthetic cannabinoid receptor agonist (SCRA) ADB-BUTINACA (N-[1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-butyl-1H-indazole-3-carbox-amide). ADB-BUTINACA was first detected in a seizure in Sweden in 2019, and we report its detection in 13 routine Swedish forensic toxicology cases soon after. In January 2021, ADB-BUTINACA was detected in SCRA-infused papers seized in Scottish prisons and has rapidly increased in prevalence, being detected in 60.4% of the SCRA-infused papers tested between January and July 2021. In this work, ADB-BUTINACA was incubated with human hepatocytes (HHeps), and 21 metabolites were identified in vitro, 14 being detected in authentic case samples. The parent drug and metabolites B9 (mono-hydroxylation on the n-butyl tail) and B16 (mono-hydroxylation on the indazole ring) are recommended biomarkers in blood, while metabolites B4 (dihydrodiol formation on the indazole core), B9, and B16 are suitable biomarkers in urine. ADB-4en-PINACA (N-[1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-[pent-4-en-1-yl]-1H-indazole-3-carboxamide) was detected in Scottish prisons in December 2020, but, unlike ADB-BUTINACA, prevalence has remained low. ADB-4en-PINACA was incubated with HHeps, and 11 metabolites were identified. Metabolites E3 (dihydrodiol formed in the tail moiety) and E7 (hydroxylation on the linked/head group) are the most abundant metabolites in vitro and are suggested as urinary biomarkers. The in vitro potencies of ADB-BUTINACA (EC 50 , 11.5 nM and ADB-4en-PINACA (EC 50 , 11.6 nM) are similar to that of MDMB-4en-PINACA (EC 50 , 4.3 nM). A third tert-leucinamide SCRA, ADB-HEXINACA was also detected in prison samples and warrants further investigation., (© 2021 The Authors. Drug Testing and Analysis published by John Wiley & Sons Ltd.)

Background: Different thermoplastic starch (TPS) films were prepared with or without the addition of microcrystalline cellulose (MCC) obtained via the melt-extrusion method, and then the hot-press method was used to produce environmentally friendly TPS-based film/paper composites to replace petroleum-based materials., Results: The paper-plastic composites exhibited good interfacial adhesion from the scannign elctron microscopy images. It was seen that 5 wt.% MCC was added to reinforce the mechanical properties of TPS films, such that it also improved the barrier properties of MCC@TPS/paper composites and extended the path of water vapor through TPS films, which decreased the water vapor transmission rate of MCC@TPS/paper composites. TPS/paper composites and MCC@TPS/paper composites have better physical properties (i.e. smoothness, flexibility and folding resistance) than only paper. In particular, it was found that the water contact angle of MCC@TPS/paper composites and TPS/paper composites were higher than single-layer paper. Furthermore, MCC reinforced paper-plastic composites demonstrated good barrier properties which can meet the requirement of the need for lower water sensitive materials in the food packaging industry., Conclusion: Thermoplastic corn starch-based film/paper composites have good application properties as a potential source of bioplastic materials. © 2021 Society of Chemical Industry., (© 2021 Society of Chemical Industry.)

This study was conducted in order to investigate biological compatibility of a thin and flexible hydroxyapatite (HAP) paper which consists of ultralong hydroxyapatite nanowires. Circular-shaped cranial bone defects with a diameter of 8.8 mm were prepared to expose the dura maters in Wistar rats. The similar-sized, circular-shaped HAP paper was placed at the bottom of the bone defects. After 2, 4, and 8 weeks, the rats were sacrificed, and the experimental sections were examined by micro-CT scanning and histological observation. The HAP paper covered with fibrous tissues showed no inflammatory cell infiltration, and their thicknesses decreased over time. Tartrate-resistant acid phosphatase-positive osteoclast-like cells were induced around the edges of the HAP paper along with the exfoliation of the HAP paper. The newly-formed bones were observed in the bone-defected areas, either with a direct contact with the HAP paper or through thin fibrous tissues. The HAP paper-induced osteoblast differentiation was confirmed since the alkaline phosphatase activities were detected on the surfaces of the HAP paper. These results indicated that the HAP paper may induce osteogenesis without causing any harmful effects. The highly flexible HAP paper can contribute to further development of bone regenerative therapy., (© 2021 Wiley Periodicals LLC.)

Background: The quality of tea is influenced by numerous factors, especially l-theanine, which is one of the important markers used to evaluate the sweetness and freshness of tea. Sensitive, rapid, and accurate detection of l-theanine is therefore useful to identify the grade and quality of tea., Results: A high-sensitivity, paper-based fluorescent sensor combined with chemometrics was established to detect l-theanine in tea water based on CdTe quantum dots / corn carbon dots and nano tetra pyridel-porphine zinc (ZnTPyP). To verify the reliability of this method, fluorescence spectra and fluorescence-visualized paper-based sensors were compared. The fluorescence spectrum method demonstrated a linear range of 1 to 10 000 nmol L -1 and a limit of detection (LOD) of 0.19 nmol L -1 . In the fluorescence-visualized paper-based sensors there was a linear range of 10-1000 nmol L -1 , and the LOD was 10 nmol L -1 . Partial least squares discriminant analysis (PLSDA) and partial least squares regression analysis (PLSR) were used successfully to determine l-theanine accurately in tea water with this approach. The accuracy of the PLSDA model was 100% both in the training set and the predicting set, and the correlation coefficient between the actual concentration and the predicted concentration was greater than 0.9997 in the PLSR model., Conclusion: This fluorescence-visualized paper-based sensor, combined with chemometrics, could be applied efficiently to the practical analysis of tea water samples, which provides a new idea to ensure the flavor and quality of tea. © 2020 Society of Chemical Industry., (© 2020 Society of Chemical Industry.)

A novel methodology using liquid-liquid extraction with low temperature partitioning (LLE-LTP) and paper spray mass spectrometry (PS-MS) was developed to identify and quantify benzodiazepines in beverages. Four types of alcoholic beverages usually consumed in parties and bars were spiked with 5 distinct benzodiazepines (diazepam, alprazolam, bromazepam, clonazepam, and cloxazolam) simulating a drug-facilitated crime occurrence. The direct PS-MS analysis of the spiked beverages revealed a remarkable matrix effect with an unclear detection of protonated benzodiazepines. However, by the application of the LLE-LTP using liquid nitrogen, a prompt and doubtless detection of such compounds was achieved. The quantification potential of the LLE-LTP/PS-MS methodology was demonstrated by using beer as matrix, diazepam as target analyte and cloxazolam as an internal standard. Figures of merit (linearity, limit of detection, linear dynamic range, relative standard deviation, and recovery) were determined and adequate values were obtained. In conclusion, we demonstrated herein that the LLE-LTP/PS-MS methodology has potential to be applied directly at the crime scene through of a portable mass spectrometer and a thermal container for the transport of liquid nitrogen., (Copyright © 2018 John Wiley & Sons, Ltd.)

Biodegradable paper cups coated with rice bran wax and whey protein isolate were designed to package popcorn. Coatings with different concentrations of whey protein isolate (5.5, 7.75, and 10% w/v) and rice bran wax (0.2, 0.4, and 0.6% w/v) were applied on the outer surface of the paper cups. Thickness, color changes, Young's modulus and tensile strength, water vapor transmission rate (WVTR) of the coated and uncoated cups, and also popcorns properties (pH, texture, and sensory properties) were evaluated. Water vapor transmission rate, Young's modulus, thickness, total color change index, and tensile strength of coated cups with the optimal coating formulation was 19.785 (g/m 2  day), 11.810 (MPa), 276.583 (µm), 1.839, and 11.222 (MPa), respectively. The results showed that paper cup coating increased thickness and yellowness and reduced the brightness, Young's modulus, and WVTR. Coating had a positive effect on the pH and texture of popcorns packaged in coated cups than samples packed in uncoated cups ( p  < .05). With increasing storage time due to moisture absorption, popcorn changes from crisp to viscoelastic and increases tissue firmness ( p  < .05). Popcorns' taste in uncoated cups had gained significantly lower scores by panelists compared with the samples packed in coated cups. There was a significant decrease in the general acceptance of popcorn during storage and also the type of coating used in the packaging cup ( p  < .05). Storage time and type of coating showed no significant effect on the moisture content, odor, and appearance of popcorn. In sensory evaluation, the coated packaging increased the taste, no difference in odor and appearance, and increased the overall acceptance of popcorn compared to the sample in uncoated cups. In general, the results showed that paper cup coating could be a new approach for barrier property improvement in paper-based food packaging and extending the shelf life of the products., Competing Interests: The authors declare no conflict of interest., (© 2021 The Authors. Food Science & Nutrition published by Wiley Periodicals LLC.)

In this proof-of-concept study, paper spray mass spectrometry was investigated as a high-throughput and fully automated technique for the initial testing of particularly polar compounds that are prohibited in sports. The technique allows the ionization of analytes from complex sample matrices such as blood and urine when spotted onto a paper strip. By minimizing sample preparation and omitting chromatographic separation, paper spray mass spectrometry benefits from considerable cost- and time-savings compared with conventional high performance liquid chromatography/tandem mass spectrometry, especially in cases where conventional reversed-phase liquid chromatography offers limited applicability. All but one of the investigated model compounds fulfilled the World Anti-Doping Agency's (WADA's) requirements regarding the applicable minimum required performance limits for initial testing procedures. In addition, the combination of paper spray mass spectrometry and ion mobility separation results in enhanced selectivity and sensitivity and is a particularly valuable analytical configuration., (© 2020 The Authors. Drug Testing and Analysis published by John Wiley & Sons Ltd.)

The coronavirus disease 2019 (COVID-19) pandemic is a case that can be used as a biochemistry learning resource in relation to the topic of viruses. Learning to use cases will be effective if students are assigned to produce reports, articles, or other scientific papers. Self-assessment can be used to assess the competencies that have been learnt in the writing process. This study aims to analyze the scientific papers and self-assessment of students using the COVID-19 pandemic case. It includes qualitative research with scientific paper and self-assessment questionnaire analyses. The research sample was chemistry education study program students (N = 57) following biochemistry course, out of a population of 87 students. The results show that the students have a good understanding of explaining COVID-19. Self-assessment analysis shows that 80% of the students responded positively to eight statements; those who gave positive responses to each questionnaire statement were able to produce scientific papers. Good self-assessment is in line with the ability of students to compile good scientific papers., (© 2020 International Union of Biochemistry and Molecular Biology.)

Coronavirus disease (COVID-19) has spread all across the world. Low- and medium-income countries are more affected economically and socially compared to developed countries due to the lack of a rapid, robust, and affordable testing infrastructure. Furthermore, the high cost of real-time polymerase chain reaction (PCR) system, sophisticated user-handling procedure, and high expense of the conventional clinical tests are the root causes of the less accessibility of the testing systems to the users. In this study, a COVID-19 Point-of-Care (POC) ecosystem model is proposed for the low- and medium-income countries (or energy deprived countries) that will facilitate the technological development with locally available fabrication components. In addition, the nontechnological development phases have also been discussed, which encompasses the collaboration among academia, local as well as government bodies, and entrepreneurial ventures. In addition, a hypothetical design of a microfluidic paper-based analytical (μPADs) POC platform is proposed to detect COVID-19 analyte using unprocessed patient-derived saliva, which is a miniaturized form-factor of conventional real-time polymerase chain reaction (PCR) technique. The device contains four major reaction zones, which are sample zone, buffer zone, loop-mediated isothermal amplification (LAMP) Master Mix zone, Ethylenediamine tetraacetic acid (EDTA) zone, and sensor zone. To obtain quicker test results and easier operation, a handheld image acquisition technique is introduced in this study. It is hypothesized that in a remote setting, the proposed design could be used as an initial guideline to develop a POC COVID-19 testing system, which may be simple, easy-to-use, and cost-effective., (© 2021 John Wiley & Sons Ltd.)

Precooling and sulfur dioxide fumigation were proved as effective methods for the preservation of longan ( Dimocarpus longan Lour.) fruits. However, inadequate precooling and sulfur dioxide fumigation resulted in unexpected losses and short shelf life. A L 9 (3 4 ) orthogonal test was conducted to screen out ideal dosage of sodium metabisulfite (factor A), precooling method (factor B), and precooling duration (factor C) to improve the storability of longan fruit stored for 48 hr at room temperature (RT) (25℃). The overall qualities of all of the treated longan fruits after a 48-hr storage (OQST) and during the 5-day shelf at 25℃ (OQSF) were better than those of the control fruits. The treated fruits showed brighter fresh color (higher L*, b*, C*, and h° values but lower a* value), higher flavonoid, and chlorophyll contents. Moreover, the SO 2 residue was concentrated in pericarp but little in aril for any of the 12 treatments. The multivariate variance analysis showed that factor A was dominant to determine both of the OQST and OQSF, while factor B affected the OQST, and factor C affected the OQSF. In total, "0.22% sodium metabisulfite + 4 hr precooling + uncovered precooling" was considered to be an ideal treatment. These results would contribute to improving longan postharvest preservation technology., Competing Interests: The authors declare that they have no conflicts of interest., (© 2020 The Authors. Food Science & Nutrition published by Wiley Periodicals, Inc.)

Xylophagia is a form of pica where patients have the unusual craving for ingestion of paper. After treating the underlying cause of pica, in this case treating iron deficiency anemia with iron replacement therapy, these unusual cravings resolve., Competing Interests: None declared., (© 2020 The Authors. Clinical Case Reports published by John Wiley & Sons Ltd.)

To commemorate the 100th anniversary of the creation of the Instituto Cajal, we bring this thematic issue to honor Spanish neuroscience. The issue includes several papers written by scientists, most of them being direct descendants of those who lived on the front lines of the dawn of Spanish neuroscience. These pages reflect a summary of the main achievements of this unique group of neuroscientists, all of them belonging to the Cajal School. Finally, this school of scientists became the forerunner of the modern worldwide neuroscience. Anat Rec, 303:1179-1180, 2020. © 2020 American Association for Anatomy., (© 2020 American Association for Anatomy.)

Pulp and paper mill effluents were examined for in vitro androgenicity using a recombinant yeast-based androgen receptor assay. Low levels of androgenic effects were detected in extracts of some effluents after activated sludge treatment. Yeast cell growth cell was inhibited in some samples, and this interfered with the androgenic response. Solid-phase fractionation revealed androgenicity after partial separation of components in the effluents. Comparison of levels in untreated effluent and in effluent treated in an aerated lagoon showed that this treatment had only a marginal effect on androgenicity. An assay of the fractions eluted with increasing concentrations of methanol showed that androgenic compounds were low to moderately lipophilic. In an attempt to identify these compounds, a number of wood-related compounds (guaiacol, vanillin, beta-sitosterol, betulin, pinosylvin-O-methyl ether, and a wood extract enriched in lignans) were examined but were found not to be androgenic. Raw process water was not androgenic, but water from a highly humified lake and process water from the production of pulp from partly decayed wood had low androgenicity. It therefore can be plausibly suggested that the androgens originated in decaying wood. An assay of androgenicity in the bile of juvenile rainbow trout exposed to effluents for 3 weeks showed increased dose-dependent levels of androgens after enzymatic hydrolysis of hormone conjugates., (Copyright 2004 Wiley Periodicals, Inc.)

In this study, a general simple and inexpensive method is introduced for the preparation of a paper-based selective disk-type solid phase extraction (SPE) technique, appropriate for fast and high throughput monitoring of target compounds. An ion exchange molecularly imprinted polymer (MIP) was synthesized for the extraction and analysis of acesulfame, an anthropogenic water quality marker. Acesulfame imprinting was used as an example for demonstrating the benefits of a nanosized, swellable MIP extraction sorbents integrated in an on-site compatible concept for water quality monitoring. Compared with an 8 mL standard SPE cartridge, the paper-based MIP disk (47 mm ø) format allowed (1) high sample flow rates up to 30 mL•min -1 without losing extraction efficiency (2) extracting sample volumes up to 500 mL in much shorter times than with standard SPE, (3) the reuse of the disks (up to 3 times more than SPE cartridge) due to high robustness and an efficient post-cleaning, and (4) reducing the sampling time from 100 minutes (using the standard SPE format) to about 2 minutes with the MIP paper disk for 50 mL water sample. Different parameters like cellulose fiber/polymer ratios, sample volume, sample flow-rate, washing, and elution conditions were evaluated and optimized. Using developed extraction technique with high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS-MS) analysis, a new protocol was established that provides detection and quantification limits of 0.015 μg•L -1 and 0.05 μg•L -1 , respectively. The developed paper disks were used in-field for the selective extraction of target compounds and transferred to the laboratory for further analysis., (Copyright © 2017 John Wiley & Sons, Ltd.)

Injuries to the peripheral nerves result in loss of motor, sensory and autonomic functions in the denervated segments of the body, thus having strong impact in the quality of life of affected patients. Neurons are able to regenerate their injured axons in the peripheral nerves; however, the endogenous repair mechanisms usually do not allow for a satisfactory functional recovery, especially after severe nerve injuries. The interest on regeneration after peripheral nerve injuries has increased in the recent years due to the numerous advances derived from studies of neurobiology, cell therapy, and tissue engineering. This Thematic Papers Issue brings together a number of papers, authored by researchers in the field, which cover a wide spectrum of topics related to regeneration and repair of peripheral nerve injuries. The Issue proposal originated from the recent 4th International Symposium on Peripheral Nerve Regeneration (ISPNR2017) which was hosted by Xavier Navarro and the European Society for the Study of Peripheral Nerve Repair and Regeneration in Barcelona, Spain. Anat Rec, 301:1614-1617, 2018. © 2018 Wiley Periodicals, Inc., (© 2018 Wiley Periodicals, Inc.)

My concern in this presentation is with the falling standard of papers, particularly primary research articles, in the scientific and medical literature. Few of our younger generation of scientists (and many older ones) have never had specific training in how to write a good article, and yet this is the major product of all research effort that has been done, perhaps over a year or more. This is a situation that has to be corrected by all institutions, universities, and similar bodies, who need to introduce into the curriculum a course (not just a token lecture) that deals with the complexity of writing a lucid article that is succinct and written with style. To assist in this exercise, I have now produced a manual (1) that goes step-by-step through the process of writing and publishing scientific papers in such a way that they have much greater chance of being accepted by learned journals. Anat Rec, 301:1493-1496, 2018. © 2018 Wiley Periodicals, Inc., (© 2018 Wiley Periodicals, Inc.)

Because of the various matrices available for forensic investigations, the development of versatile analytical approaches allowing the simultaneous determination of drugs is challenging. The aim of this work was to assess a liquid chromatography-tandem mass spectrometry (LC-MS/MS) platform allowing the rapid quantification of colchicine in body fluids and tissues collected in the context of a fatal overdose. For this purpose, filter paper was used as a sampling support and was associated with an automated 96-well plate extraction performed by the LC autosampler itself. The developed method features a 7-min total run time including automated filter paper extraction (2 min) and chromatographic separation (5 min). The sample preparation was reduced to a minimum regardless of the matrix analyzed. This platform was fully validated for dried blood spots (DBS) in the toxic concentration range of colchicine. The DBS calibration curve was applied successfully to quantification in all other matrices (body fluids and tissues) except for bile, where an excessive matrix effect was found. The distribution of colchicine for a fatal overdose case was reported as follows: peripheral blood, 29 ng/ml; urine, 94 ng/ml; vitreous humour and cerebrospinal fluid, < 5 ng/ml; pericardial fluid, 14 ng/ml; brain, < 5 pg/mg; heart, 121 pg/mg; kidney, 245 pg/mg; and liver, 143 pg/mg. Although filter paper is usually employed for DBS, we report here the extension of this alternative sampling support to the analysis of other body fluids and tissues. The developed platform represents a rapid and versatile approach for drug determination in multiple forensic media., (Copyright © 2013 John Wiley & Sons, Ltd.)

Background: Bagging has been widely used to improve the commercial value of fruit. The purpose of this study was to evaluate the effects of different light transmittance paper bags on the quality and antioxidant capacity of loquat fruit. Two loquat cultivars, Baiyu and Ninghaibai (Eriobotrya japonica Lindl.), were used for materials. One-layered white paper bags (OWPB) with approximately 50% light transmittance and two-layered paper bags with a black inner layer and a grey outer layer (TGDPB) with approximately 0% light transmittance were used as treatments and unbagged fruits were used as the control (CK) in this experiment. Fruit quality was determined by physicochemical characteristics, the quantity of sugar, total phenolic, flavonoid, carotenoid and vitamin C. The antioxidant capacities of the methanol extracted from the pulp were tested using three different assays., Results: The results showed that bagging decreased the weight of fruit but promoted the appearance of loquat fruits. The total sugar content in the fruit bagged with OWPB was higher than in controls and in fruit bagged with TGDPB. The total phenolic and flavonoid contents were decreased by both bagging treatments, with the lowest occurring in the fruit bagged with TGDPB. Bagging also decreased the total antioxidant capacity of the fruit pulp, which was again lower in TGDPB-treated fruits than in those bagged using OWPB. Correlation analysis showed a linear relationship between total antioxidant capacity and the content of total phenolic and flavonoid., Conclusion: The results showed that different light transmittance bags had different effects on fruit quality and antioxidant capacity. In particular, bags with low light transmittance (TGDPB) decreased the inner quality and total antioxidant capacity of loquat fruit. All results indicated that bagging with OWPB was more suitable for maintaining the quality of the loquat fruit than bagging with TGDPB., (Copyright (c) 2010 Society of Chemical Industry.)

Background: In this study the antimicrobial effectiveness of oregano and sage essential oils (EOs) incorporated into two different matrices, whey protein isolate (WPI) and cellulose-based filter paper, was analysed., Results: Antimicrobial properties of WPI-based films containing oregano and sage EOs were tested against Listeria innocua, Staphylococcus aureus and Salmonella enteritidis. Oregano EO showed antimicrobial activity against all three micro-organisms. The highest inhibition zones were against L. innocua. However, sage EO did not show antimicrobial activity against any of the micro-organisms. Antimicrobial activity was confirmed for both EOs using cellulose-based filter paper as supporting matrix, although it was significantly more intense for oregano EO. Inhibition surfaces were significantly greater when compared with those of the WPI films. This finding is likely due to the higher porosity and diffusivity of the active compounds in the filter paper., Conclusion: The interactions between the EOs and the films have a critical effect on the diffusivity of the active compounds and therefore on the final antimicrobial activity. As a result, to obtain active edible films, it is necessary to find the equilibrium point between the nature and concentration of the active compounds in the EO and the formulation of the film.