Presence of metals in herbal extracts

This is the pre-peer-reviewed version of the following article: Amira Guirguis, et al, 'Presence of metals in herbal extracts', The Pharmaceutical Journal, Vol. 289, p. 536, November 2012, URI: 11110858, which has been published in final form at : http://www.pharmaceutical-journal.com/news-and-analysis/news/presence-of-metals-in-herbal-extracts/11110858.article.Do metals from raw herbs transport into herbal preparations during manufacture? Amira Guirguis and colleagues take a look at the issue using St John’s wort as an example.Non peer reviewe

Molecular dynamics simulation on surface modification of a quantum scaled CuO nano-clusters to support their experimental studies

© 2022 Springer Nature Limited. This article is licensed under a Creative Commons Attribution 4.0 International License, to view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.Interest in nanoparticle modification using functional chemicals has increased rapidly, as it is allowing more freedom of physiochemical tuning of the nanoparticle’s surfaces into biomedically oriented and designated properties. However, the observation and detection of the thin molecular layers on the nanoparticle surface are very challenging under current analytical facilities. The focus of this research is to demonstrate fundamental interactions between the surface treated nanoparticles and their host liquid media using lab-based experimentation and simulation. In this research, investigation has been carried out on analyzing the surface compatibility and the diffusivity of modified CuO nanoparticles with short-chain carboxylate-terminated molecules in biofluids. Moreover, during the current Covid-19 pandemic, the Cu/CuONPs have proved effective in killing SARS-CoV1/2 and other airborne viruses. This research was conducted at the molecular level with joint consideration of experimental and simulation studies for characterization of variables. Experimental tests conducted using Fourier Transmission Infrared (FTIR) demonstrated several ranges of interest from FTIR responses, specifically, detection of three major carboxylate attachments (i.e., 1667 cm-1 -1609 cm-1, 1668 cm-1 - 1557 cm-1, etc.) were found. From simulation, similar attachment styles were observed by the LAMMPS simulation package that mimicked similar agglomerations with a predicted diffusion coefficient as recorded to be 2.28E-9m2/s. Viscosities of modified nanofluids were also compared with unmodified nanofluids for defining aggregation kinetics.Peer reviewe

Elemental fingerprinting of Hypericum perforatum (St John's Wort) herb and preparations using ICP-OES and chemometrics

This is a pre-copyedited, author-produced PDF of an article accepted for publication in Journal of Pharmaceutical and Biomedical Analysis following peer review. The version of record [Journal of Pharmaceutical and Biomedical Analysis (June 2016) Vol 125 pp 15-21, first published online March 4, 2016] is available online at doi: http://dx.doi.org/10.1016/j.jpba.2016.02.054 © 2016 Elsevier. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/St. John's wort (SJW) (Hypericum perforatum) is a herbal remedy commonly used to treat mild depression. The elemental profiles of 54 samples (i.e., dry herbs, tablets and capsules) were evaluated by monitoring 25 elements using Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES). The major elemental constituents in the SJW samples were Ca (300-199,000 μg/g), Mg (410-3,530 μg/g), Al (4.4-900 μg/g), Fe (1.154-760 μg/g), Mn (2.4-261 μg/g), Sr (0.88-83.6 μg/g), and Zn (7-64 μg/g). For the sixteen elements that could be reliably quantified, principal component analysis (PCA) was used to investigate underlying patterns in the data. PCA models identified 7 key elements (i.e., Ba, Ca, Cd, Mg, Mo, Ni and Y), which described 85% of the variance in the dataset in the first three principal components. The PCA approach resulted in a general delineation between the three different formulations and provides a basis for monitoring product quality in this manner.Peer reviewe

A Design-of-Experiments Approach to Developing Thermoresponsive Gelators From Complex Polymer Mixtures

© 2020 Royal Society of Chemistry. This is the accepted manuscript version of an article which has been published in final form at https://doi.org/10.1039/D0ME00093K.This study investigated the effects of additives on the properties of poloxamer (P) 407 thermogels, employing a design-of-experiments (DoE) approach. P407 is a thermoresponsive triblock copolymer that exhibits a solution to gel transition at a critical temperature, typically between 15-25 °C, dependant on polymer concentration. This thermoresponsive gelation has made P407 attractive for many applications including drug delivery, cell culture and tissue engineering. However, the gels formed do not have sufficient strength for some applications where the materials will be exposed to shear, such as topical drug delivery. There have been attempts to improve P407 thermogel properties by the addition of other hydrophilic polymers. However, these studies were limited to a small number of polymers, typically in binary mixtures, exploring one variable at a time. In this study, a DoE approach was carried out using a two-level model exploring P407, P188, poly(vinyl alcohol), poly(ethylene glycol), and poly(acrylic acid) as variables, including an exploration of molecular weight of the latter three additives. The variables were given two different levels (concentrations) to generate a total of 16 training formulations. The thermoresponsive gelation of these 16 formulations was studied by rheometry and predictive models built for gel strength (G’) and gelation temperature (Tgel) responses. The model was able to predict the thermoresponsive gelation of complex octonary test blends, significantly streamlining formulation development processes relative to current methods. The model was then able to identify novel thermoresponsive gel formulations with 20 % improved gel strength compared to a standard 20 % P407 solution, which may be used as temperature-responsive materials for advanced healthcare applications.Peer reviewe

Flipped detection of psychoactive substances in complex mixtures using handheld Raman spectroscopy coupled to chemometrics

© 2022 The Authors. Journal of Raman Spectroscopy published by John Wiley & Sons Ltd. This is an open access article under the terms of the Creative Commons Attribution-Non Commercial-No Derivatives. https://creativecommons.org/licenses/by-nc-nd/4.0/New psychoactive substance (NPS) misuse represents a critical social and health problem. Herein, a novel flipped approach is presented for the detection of psychoactive substances in complex mixtures using portable Raman spectroscopy. This consists firstly of evaluating the spectral dissimilarities of an NPS product to its constituent adulterants followed by detection of the NPS by means of key spectral signatures. To demonstrate it, three structurally diverse NPS and four commonly used adulterants were selected. A Design‐of‐Experiments guided approach was employed to determine the composition of simulate street samples, ranging from binary to quinary mixtures of varying concentrations. Spectra were acquired for all mixtures using a portable Raman spectrometer and examined using projection analysis on model systems, developed via principal component analysis using reference materials. For all 21 mixtures investigated, the innovative ‘flipped’ methodology resulted in isolated and unequivocal detection of the NPS. Interestingly, the NPS signatures were consistent across all mixtures investigated and were 1712, 1000, and 777/1022 cm−1 for 5F‐PB‐22, phenibut, and N‐Me‐2‐AI containing samples, respectively. Thus indicating that the developed model systems could be applicable to structural analogs. NPS were detected to concentrations as low as 6.0% w/w. This flipped methodology was benchmarked to the instrument's output algorithms and outperformed these in terms of NPS detection, particularly for low concentration ternary and quinary mixtures. As a result, this study represents a critical change in the conceptualization of novel approaches for the detection of psychoactive substances and further denotes a blueprint for the development of detection methodologies of target analytes in complex mixtures.Peer reviewedFinal Published versio

Novel psychoactive substances (NPS) – knowledge and experiences of drug users from Hungary, Poland, the UK and the USA

Submitted 19 September 2019; Accepted 29 November 2019; Proof received 29 November 2019; Published 18 February 2020. Note: No DOI allocated.Dopamine D 3 receptor partial agonists represent a new generation of atypical antipsychotics. Cariprazine, which has received centralized market authorization from the European Medicines Agency in 2017 for the treatment of adult patients with schizophrenia (including those with predominant negative symptoms of schizophrenia) differs from the other two partial agonist antipsychotics aripiprazole and brexpiprazole due to its unique features. Cariprazine is a dopamine D 3 preferring D 3/D2 partial agonist with very similar dopamine receptor sub-type selectivity as dopamine. It has proven efficacy in the treatment of positive and negative symptoms of schizophrenia, as well as for relapse prevention. Further phase-3 clinical studies proved the efficacy of cariprazine in the acute treatment of manic or mixed episodes associated with bipolar I disorder, as well as in bipolar depression. For the adjunctive treatment of major depressive disorder, phase 3 studies are in progress.Peer reviewedFinal Published versio

Survey of knowledge of legal highs (novel psychoactive substances) amongst London pharmacists

Purpose – The purpose of this paper is to determine pharmacists’ knowledge of legal highs (novel psychoactive substances (NPS)). Design/methodology/approach – A questionnaire was handed out at two London pharmacist continuing education events in mid-2014. These events update pharmacists about developments of interest/relevance to the profession and to improve their practice. A total of 54 forms were returned; a response rate of 26 percent. Findings – Most pharmacists had poor knowledge of NPS and many considered that NPS were not important to their work, with few having had to advise customers in this area. Despite this, the majority thought that they had insufficient information about NPS. There was a negative correlation between the age of the pharmacist and knowledge of NPS. Research limitations/implications – The sample is a self-selected one drawn from registered pharmacists working in community pharmacies in northwest London, and thus does not include hospital pharmacies. Self-selection means that respondents may only reflect those who are interested in the NPS phenomenon and not the wider pharmacy community. The geographical area covered may not be representative of London as a whole, or indeed other parts of the UK or other EU countries. Practical implications – It is clear that pharmacists do not know much about NPS but would like to know more. This information might improve their practice. Social implications – Pharmacists, easier to see than general practitioners, could be a useful source of information for NPS misusers. Originality/value – There have been no previous attempts to gauge the level of knowledge by pharmacists of legal highs/NPS in the UK or elsewhere to our knowledge

Small molecule recognition of mephedrone using an anthracene molecular clip

This document is the Accepted Manuscript version of the following article: Kathryn Kellett, J. Hugh Broome, Mire Zloh, Stewart B. Kirton, Suzanne Fergus, Ute Gerhard, Jacqueline Stair, and Kar J. Wallace, ‘Small molecule recognition of mephedrone using an anthracene molecular clip’, Chemical Communications, Vol. 52(47): 7474-7477, 2016. The version of record is available online at DOI: http://dx.doi.org/10.1039/C6CC03404G. Published by the Royal Society of Chemistry.An anthracene molecular probe has been synthesised and shown to target mephedrone, a stimulant drug from the cathinone class of new psychoactive substances (NPS). A protocol has been developed to detect mephedrone via the probe using NMR spectroscopy in a simulated street sample containing two of the most common cutting agents, benzocaine and caffeine.Peer reviewedFinal Accepted Versio

Benzodiazepine Boom: Tracking Etizolam, Pyrazolam, and Flubromazepam from Pre-UK Psychoactive Act 2016 to Present Using Analytical and Social Listening Techniques

© 2024 The Author(s). Licensee MDPI, Basel, Switzerland. This is an open access article distributed under the terms of the Creative Commons Attribution License (CC BY), https://creativecommons.org/licenses/by/4.0/Introduction: The designer benzodiazepine (DBZD) market continues to expand whilst evading regulatory controls. The widespread adoption of social media by pro-drug use communities encourages positive discussions around DBZD use/misuse, driving demand. This research addresses the evolution of three popular DBZDs, etizolam (E), flubromazepam (F), and pyrazolam (P), available on the drug market for over a decade, comparing the quantitative chemical analyses of tablet samples, purchased from the internet prior to the implementation of the Psychoactive Substances Act UK 2016, with the thematic netnographic analyses of social media content. Method: Drug samples were purchased from the internet in early 2016. The characterisation of all drug batches were performed using UHPLC-MS and supported with 1H NMR. In addition, netnographic studies across the platforms X (formerly Twitter) and Reddit, between 2016–2023, were conducted. The latter was supported by both manual and artificial intelligence (AI)-driven thematic analyses, using numerous.ai and ChatGPT, of social media threads and discussions. Results: UHPLC-MS confirmed the expected drug in every sample, showing remarkable inter/intra batch variability across all batches (E = 13.8 ± 0.6 to 24.7 ± 0.9 mg; F = 4.0 ± 0.2 to 23.5 ± 0.8 mg; P = 5.2 ± 0.2 to 11.5 ± 0.4 mg). 1H NMR could not confirm etizolam as a lone compound in any etizolam batch. Thematic analyses showed etizolam dominated social media discussions (59% of all posts), with 24.2% of posts involving sale/purchase and 17.8% detailing new administration trends/poly-drug use scenarios. Artificial intelligence confirmed three of the top five trends identified manually. Conclusions: Purity variability identified across all tested samples emphasises the increased potential health risks associated with DBZD consumption. We propose the global DBZD market is exacerbated by surface web social media discussions, recorded across X and Reddit. Despite the appearance of newer analogues, these three DBZDs remain prevalent and popularised. Reporting themes on harm/effects and new developments in poly-drug use trends, demand for DBZDs continues to grow, despite their potent nature and potential risk to life. It is proposed that greater controls and constant live monitoring of social media user content is warranted to drive active regulation strategies and targeted, effective, harm reduction strategies.Peer reviewe

Mephedrone (4-methylmethcathinone; 'meow meow') : chemical, pharmacological and clinical issues

“The original publication is available at www.springerlink.com”. Copyright SpringerRecently, those substances deriving from the active ingredient of the Khat plant, cathinone, have been rising in popularity. Indeed, 4-methylmethcathinone (mephedrone; 'meow meow' and others) has been seen by some as a cheaper alternative to other classified recreational drugs.We aimed here at providing a state-of-the-art review on mephedrone history and prevalence of misuse, chemistry, pharmacology, legal status, product market appearance, clinical/management and related fatalities.Because of the limited evidence, some of the information here presented has been obtained from user reports/drug user-orientated web sites. The most common routes for mephedrone recreational use include insufflation and oral ingestion. It elicits stimulant and empathogenic effects similar to amphetamine, methylamphetamine, cocaine and MDMA. Due to its sympathomimetic actions, mephedrone may be associated with a number of both physical and psychopathological side effects. Recent preliminary analysis of recent UK data carried out in 48 related cases have provided positive results for the presence of mephedrone at postmortem.Within the UK, diffusion of mephedrone may have been associated with an unprecedented combination of a particularly aggressive online marketing policy and a decreasing availability/purity of both ecstasy and cocaine. Mephedrone has been recently classified in both the UK and in a number of other countries as a measure to control its availability. Following this, a few other research psychoactives have recently entered the online market as yet unregulated substances that may substitute for mephedrone. Only international collaborative efforts may be able to tackle the phenomenon of the regular offer of novel psychoactive drugsPeer reviewedFinal Accepted Versio