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Adding more “spice” to the pot: A review of the chemistry and pharmacology of newly emerging heterocyclic synthetic cannabinoid receptor agonists

Published: Jan 25, 2020

Author(s): Ryan M. Alam, John J. Keating

Journal: Drug Testing and Analysis

Abstract Synthetic cannabinoid receptor agonists (SCRAs) first appeared on the international recreational drug market in the early 2000s in the form of SCRA‐containing herbal blends. Due to the cannabimimetic effects associated with the consumption of SCRAs, they have acquired an ill‐informed reputation for being cheap, safe, and legal alternatives to illicit cannabis. Possessing high potency and affinity for the human cannabinoid receptor subtype‐1 (CB1) and ‐2 (CB2), it is now understood...

Read More thumbnail image: Adding more spice to the pot A review of the chemistry and pharmacology of newly emerging heterocyclic synthetic cannabinoid receptor agonists

If you play with fire, you may get burned

Published: Jan 25, 2020

Author(s): Jordi Segura, Rosa Ventura, José Antonio Pascual, Rafael Torre

Journal: Drug Testing and Analysis

Abstract This article reports an interesting doping case in the late 1990s involving the physical tampering of a urine sample containing a prohibited substance, by adding an alcoholic beverage. The regulations and knowledge available at that time allowed consideration of the case as a sanctioned manipulation and the prohibited substance as an additional element that explained the reasons for it. The development of the case involved some aspects that appeared for the first time in doping...

Read More thumbnail image: If you play with fire you may get burned

Universal inelastic electron scattering cross‐section including extrinsic and intrinsic excitations in XPS

Published: Jan 25, 2020

Author(s): Eustache Gnacadja, Nicolas Pauly, Sven Tougaard

Journal: Surface and Interface Analysis

Abstract The high importance of X‐ray photoelectron spectroscopy (XPS) in surface analysis is well established. In XPS, the shape of the measured peaks is affected by two classes of energy loss: extrinsic losses because of the transport of photoelectrons in the matter and intrinsic losses because of the sudden creation of the static core hole. In order to perform a quantitative, comprehensive determination of the zero‐energy loss spectrum, a systematic and physically meaningful background...

Read More thumbnail image: Universal inelastic electron scattering crosssection including extrinsic and intrinsic excitations in XPS

Combining ultrasound‐assisted extraction and vortex‐assisted liquid–liquid microextraction for the sensitive assessment of aflatoxins in aquaculture fish species

Published: Jan 24, 2020

Author(s): G. D. Thilini Madurangika Jayasinghe, Raquel Domínguez‐González, Pilar Bermejo‐Barrera, Antonio Moreda‐Piñeiro

Journal: Journal of Separation Science

Abstract Although aflatoxins contamination in feedstuff is a well‐known problem, and hence these residues are controlled in poultry products, there is scarce information regarding the presence of these toxic substances in aquaculture fish, facilities that use several feedstuff for fish breeding. A simple, rapid, and sensitive method has been therefore developed for aflatoxins (B1, B2, G1, and G2) assessment in aquaculture products by combining ultrasound probe‐assisted extraction and...

Read More thumbnail image: Combining ultrasoundassisted extraction and vortexassisted liquidliquid microextraction for the sensitive assessment of aflatoxins in aquaculture fish species

Quantification of regional myocardial mean intracellular water lifetime: A nonhuman primate study in myocardial stress

Published: Jan 24, 2020

Author(s): Smita Sampath, Annamalai Sarayu Parimal, Wei Huang, Elaine Manigbas, Willy Gsell, Miko May Lee Chang, Anqi Qiu, Kirsten Jacobsen, Jeffrey L. Evelhoch, Chih‐Liang Chin

Journal: NMR in Biomedicine

Heart failure with preserved ejection fraction (HFpEF) is typically associated with early metabolic remodeling. Noninvasive imaging biomarkers that reflect these changes will be crucial in determining responses to early drug interventions in these patients. Mean intracellular water lifetime (τi) has been shown to be partially inversely related to Na, K‐ATPase transporter activity and may thus provide insight into the metabolic status in HFpEF patients. Here, we aim to perform regional...

Read More thumbnail image: Quantification of regional myocardial mean intracellular water lifetime A nonhuman primate study in myocardial stress

Highly accelerated, real‐time phase‐contrast MRI using radial k‐space sampling and GROG‐GRASP reconstruction: a feasibility study in pediatric patients with congenital heart disease

Published: Jan 24, 2020

Author(s): Hassan Haji‐Valizadeh, Li Feng, Liliana E. Ma, Daming Shen, Kai Tobias Block, Joshua D. Robinson, Michael Markl, Cynthia K. Rigsby, Daniel Kim

Journal: NMR in Biomedicine

Retrospective electrocardiogram‐gated, 2D phase‐contrast (PC) flow MRI is routinely used in clinical evaluation of valvular/vascular disease in pediatric patients with congenital heart disease (CHD). In patients not requiring general anesthesia, clinical standard PC is conducted with free breathing for several minutes per slice with averaging. In younger patients under general anesthesia, clinical standard PC is conducted with breath‐holding. One approach to overcome this limitation is using...

Read More thumbnail image: Highly accelerated realtime phasecontrast MRI using radial kspace sampling and GROGGRASP reconstruction a feasibility study in pediatric patients with congenital heart disease

Fast method for GA‐PLS with simultaneous feature selection and identification of optimal preprocessing technique for datasets with many observations

Published: Jan 24, 2020

Author(s): Petter Stefansson, Kristian H. Liland, Thomas Thiis, Ingunn Burud

Journal: Journal of Chemometrics

Abstract A fast and memory‐efficient new method for performing genetic algorithm partial least squares (GA‐PLS) on spectroscopic data preprocessed in multiple different ways is presented. The method, which is primarily intended for datasets containing many observations, involves preprocessing a spectral dataset with several different techniques and concatenating the different versions of the data horizontally into a design matrix X which is both tall and wide. The large matrix is then...

Read More thumbnail image: Fast method for GAPLS with simultaneous feature selection and identification of optimal preprocessing technique for datasets with many observations

Combination of high‐resolution accurate mass spectrometry and network pharmacology provides a new method for the chemical constituents’ study and target prediction in vivo of Garcinia multiflora

Published: Jan 24, 2020

Author(s): Zhuolun Li, Lihua Zuo, Yingying Shi, Dongsong Tian, Liwei Liu, Yantao Yang, Lin Zhou, Xiaojian Zhang, Jian Kang, Xiaojiang Hao, Chunmao Yuan, Zhi Sun

Journal: Journal of Separation Science

Abstract Garcinia multiflora is a kind of evergreen tree which is widely distributed in the south of China. However, few researches focused on the constituents in different parts of G. multiflora as well as their potential targets and pathways in vivo. To clarify the chemical constituents of G. multiflora rapidly and predict the potential targets as well as pathways in vivo that this plant may have effects on, a feasible and accurate strategy was developed to identify the chemical constituents...

Read More thumbnail image: Combination of highresolution accurate mass spectrometry and network pharmacology provides a new method for the chemical constituents study and target prediction in vivo of Garcinia multiflora

Urine metabolomics study of Bushen Huoxue Prescription on diabetic retinopathy rats by UPLC–Q‐exactive Orbitrap–MS

Published: Jan 24, 2020

Author(s): Xin Wang, Yang Li, Mengjun Xie, Liping Deng, Mei Zhang, Xuejun Xie

Journal: Biomedical Chromatography

Abstract Diabetic retinopathy (DR) is a common microvascular complication of diabetes and remains one of the leading causes of blindness worldwide. Previous studies have shown that Bushen Huoxue Prescription (BP) possesses an effect on preventing and treating DR, but the mechanisms of action are not entirely clear. In order to clarify the mechanisms, the pharmacodynamical assessments of BP were investigated. Combining the pharmacodynamical studies, it was found that BP could inhibit high...

Read More thumbnail image: Urine metabolomics study of Bushen Huoxue Prescription on diabetic retinopathy rats by UPLCQexactive OrbitrapMS

Discrimination of textile dyes in binary mixtures by Raman spectroscopy

Published: Jan 24, 2020

Author(s): Laurent Lepot, Kris De Wael, Fabrice Gason, Bernard Gilbert, Gauthier Eppe, Cédric Malherbe

Journal: Journal of Raman Spectroscopy

Abstract For forensic investigation of dyes used in the textile dying industry by Raman spectroscopy, the capability to discriminate several dyes is significant. When trace samples of fibres tainted with unknown dyes have to be confronted to a reference material, the minor dye is typically present in less than 10 wt% in the dyeing preparations. In the present study, we investigate the ability of Raman spectroscopy to discriminate two dyes in binary mixtures. 50 mixtures were prepared from a...

Read More thumbnail image: Discrimination of textile dyes in binary mixtures by Raman spectroscopy

Vector casting for noise reduction

Published: Jan 24, 2020

Author(s): Medhanie Tesfay Gebrekidan, Christian Knipfer, Andreas Siegfried Braeuer

Journal: Journal of Raman Spectroscopy

Abstract We report a new method for the reduction of noise from spectra. This method is based on casting vectors from one data point to the following data points of the noisy spectrum. The noise‐reduced spectrum is computed from the casted vectors within a margin that is identified by an envelope‐finder algorithm. We compared here the presented method with the Savitzky–Golay and the wavelet transform approaches for noise reduction using simulated Raman spectra of various signal‐to‐noise ratios...

Read More thumbnail image: Vector casting for noise reduction

Discovery of pressure‐induced monoclinic to monoclinic phase transition above 60 GPa in single crystal NaAlSi2O6 jadeite

Published: Jan 24, 2020

Author(s): Ge Fei, Jingyan Song, Xin Chen, Xiaobing Liu

Journal: Journal of Raman Spectroscopy

Abstract As one typical aluminum‐ and sodium‐bearing silicate mineral in the crust, the high‐pressure behaviors of NaAlSi2O6 jadeite are always of interest for investigation. However, the phase transition of jadeite at lower mantle remains elusive; thus, further static compression experiments and systematic theoretical calculations are highly needed. Here, we report a new monoclinic to monoclinic phase transition of jadeite with a volume collapse of 3.17% at around 68 GPa by in situ Raman...

Read More thumbnail image: Discovery of pressureinduced monoclinic to monoclinic phase transition above 60 GPa in single crystal NaAlSi2O6 jadeite

Raman Laser Spectrometer (RLS) calibration target design to allow onboard combined science between the RLS and MicrOmega instruments on the ExoMars rover

Published: Jan 24, 2020

Author(s): Guillermo Lopez‐Reyes, Cedric Pilorget, Andoni G. Moral, Jose Antonio Manrique, Aurelio Sanz, Alicia Berrocal, Marco Veneranda, Fernando Rull, Jesús Medina, Vincent Hamm, Jean‐Pierre Bibring, Jose Antonio Rodriguez, Carlos Perez Canora, Eva Mateo‐Marti, Olga Prieto‐Ballesteros, Emmanuel Lalla, Jorge L. Vago

Journal: Journal of Raman Spectroscopy

Abstract The ExoMars rover, scheduled to be launched in 2020, will be equipped with a novel and diverse payload. It will also include a drill to collect subsurface samples (from 0‐ to 2‐m depth) and deliver them to the rover analytical laboratory, where it will be possible to perform combined science between instruments. For the first time, the exact same sample target areas will be investigated using complementary analytical methods—infrared spectrometry, Raman spectrometry, and laser...

Read More thumbnail image: Raman Laser Spectrometer RLS calibration target design to allow onboard combined science between the RLS and MicrOmega instruments on the ExoMars rover

Improving Raman spectroscopic identification of rice varieties by feature extraction

Published: Jan 24, 2020

Author(s): Min Sha, Ding Zhang, Zhengyong Zhang, Jinhong Wei, Yuan Chen, Mengtian Wang, Jun Liu

Journal: Journal of Raman Spectroscopy

Abstract Raman spectroscopy combined with pattern recognition can identify rice varieties excellently. In this study, a method was established to select the key feature for identification model. Seventy‐two Raman spectra of three varieties of rice were analyzed. Seventy‐one independent variables and characteristic bands (420–560, 820–980, 1,000–1,200, and 1,300–1,500 cm−1) were obtained by principal component analysis (PCA). Window analysis further narrowed the range of characteristic bands...

Read More thumbnail image: Improving Raman spectroscopic identification of rice varieties by feature extraction

Multiple‐pass enhanced Raman spectroscopy for fast industrial trace gas detection and process control

Published: Jan 24, 2020

Author(s): Chengwei Wen, Xin Huang, Chunlei Shen

Journal: Journal of Raman Spectroscopy

Abstract We report an advanced multiple‐pass Raman spectroscopy setup with enhanced sensitivity for industrial in situ monitoring and process control applications. A multiple‐pass cavity with 20 total passes is constructed using one concave mirror and two high‐reflection mirrors. The multiple‐pass cavity is fully compatible with gas chamber with dead volume as small as 2.5 ml. The setup is simple, reliable, and robust, which is important for practical industrial applications. With this system,...

Read More thumbnail image: Multiplepass enhanced Raman spectroscopy for fast industrial trace gas detection and process control

Darkening of lead‐ and iron‐based pigments on late Gothic Italian wall paintings: Energy dispersive X‐ray fluorescence, μ‐Raman, and powder X‐ray diffraction analyses for diagnosis: Presence of β‐PbO2 (plattnerite) and α‐PbO2 (scrutinyite)

Published: Jan 24, 2020

Author(s): Ilaria Costantini, Pier Paolo Lottici, Danilo Bersani, Daniele Pontiroli, Antonella Casoli, Kepa Castro, Juan Manuel Madariaga

Journal: Journal of Raman Spectroscopy

Abstract This work reports the results of an extensive study carried out on the wall paintings preserved inside the Saint Stephen's chapel in Montani (Val Venosta, Bozen, Italy), by means of μ‐Raman spectroscopy, portable X‐ray fluorescence (XRF) spectrometry, and powder X‐ray diffraction, in order to characterize materials and their alteration products that cause the blackening of paintings. In situ XRF analysis allowed identifying the areas of interest where the blackening appeared. The...

Read More thumbnail image: Darkening of lead and ironbased pigments on late Gothic Italian wall paintings Energy dispersive Xray fluorescence Raman and powder Xray diffraction analyses for diagnosis Presence of PbO2 plattnerite and PbO2 scrutinyite

Comparative bioavailability of two zolpidem hemitartrate formulations in healthy human Brazilian volunteers using high‐performance liquid chromatography coupled to tandem mass spectrometry

Published: Jan 24, 2020

Author(s): Gustavo D. Mendes, Thais da Silva Pereira, Júlio César Rodrigues, Elaine Marcílio Santos, Mariani Rafaela Souza, Rodrigo Alvaro Brandão Lopes‐Martins, Natalícia de Jesus Antunes, Ronilson Agnaldo Moreno, Gilberto De Nucci

Journal: Biomedical Chromatography

Abstract To assess the bioequivalence of two zolpidem hemitartrate formulations in 30 healthy volunteers. Plasma samples were obtained over a 24 h period. Plasma concentrations of zolpidem were analyzed by liquid chromatography coupled to tandem mass spectrometry with positive ion electrospray ionization using multiple reaction monitoring. Values of peak concentration (Cmax), area under curve (AUC), half‐life, elimination constant, volume of distribution and clearance showed statistically...

Read More thumbnail image: Comparative bioavailability of two zolpidem hemitartrate formulations in healthy human Brazilian volunteers using highperformance liquid chromatography coupled to tandem mass spectrometry

LC–MS/MS analysis of puerarin and 18β‐glycyrrhetinic acid in human plasma after oral administration of Samso‐eum and its application to pharmacokinetic study

Published: Jan 24, 2020

Author(s): Seon Yu Lee, Ji Hyun Jeong, Bo Na Kim, So Jung Park, Yang‐Chun Park, Guk Yeo Lee

Journal: Biomedical Chromatography

Abstract The aim of this study was to confirm pharmacokinetic screening of multiple components in healthy Korean subjects after oral administration of Samso‐eum and perform quantitation of active components in the human plasma. Thirteen potential bioactive components [puerarin (PRR), daidzin, nodakenin, ginsenoside Rb1, 18β‐glycyrrhetinic acid (18β‐GTA), 6‐shogaol, naringin, glycyrrhizin, hesperidin, platycodin D, naringenin, hesperetin, and 6‐gingerol] were screened based on literature. The...

Read More thumbnail image: LCMSMS analysis of puerarin and 18glycyrrhetinic acid in human plasma after oral administration of Samsoeum and its application to pharmacokinetic study

Development of an ultra‐high‐performance liquid chromatography coupled with triple quadrupole mass spectrometry method for comparative pharmacokinetics of six triterpenoids in rat plasma and application to different forms of Phytolacca acinosa

Published: Jan 23, 2020

Author(s): Baochang Cai, Enci Jiang, Yi Tao

Journal: Journal of Separation Science

Abstract Phytolacca acinosa is an herb for treatment of ascites and tumor. Two forms of P. acinosa, i.e. raw and vinegar‐processed herb, have been used in clinic. However, pharmacokinetic difference between the two forms of P. acinosa has not been fully understood. Herein, a comparative pharmacokinetic method based on liquid chromatography with tandem mass spectrometry was developed for quantification of six bioactive triterpenoids, including esculentoside H, esculentoside T, esculentoside A,...

Read More thumbnail image: Development of an ultrahighperformance liquid chromatography coupled with triple quadrupole mass spectrometry method for comparative pharmacokinetics of six triterpenoids in rat plasma and application to different forms of Phytolacca acinosa

Simultaneous multislice rapid magnetic resonance elastography of the liver

Published: Jan 23, 2020

Author(s): Waqas Majeed, Prateek Kalra, Arunark Kolipaka

Journal: NMR in Biomedicine

To design and validate a rapid Simultaneous Multi‐slice (SMS) Magnetic Resonance Elastography technique (MRE), which combines SMS acquisition, in‐plane undersampling and an existing rapid Magnetic Resonance Elastography (MREr) scheme to allow accelerated data acquisition in healthy volunteers and comparison against MREr. SMS‐MREr sequence was developed by incorporating SMS acquisition scheme into an existing MREr sequence that accelerates MRE acquisition by acquiring data during opposite...

Read More thumbnail image: Simultaneous multislice rapid magnetic resonance elastography of the liver
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