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Analytical Methods : Advancing Methods... Jun 2020This study proposes a new multi-residue enantioselective method for the determination of emerging drug contaminants in sea water by solid phase extraction (SPE) and...
This study proposes a new multi-residue enantioselective method for the determination of emerging drug contaminants in sea water by solid phase extraction (SPE) and liquid chromatography-tandem mass spectrometry (LC-MS/MS). To achieve satisfactory enantiomeric separation with a vancomycin stationary phase it was essential to limit sodium chloride in extracted samples to <1 μg per injection. This was achieved through a straightforward SPE method using a 50 mL water wash volume and analyte elution in acetonitrile. A Chiral-V enantioselective column (150 × 2.1 mm; 2.7 μm particle size) operated in polar ionic mode enabled simultaneous drug separations in 30 minutes. Analytes with enantioresolution ≥1 were the stimulants amphetamine and methamphetamine, the beta-agonist salbutamol, the beta-blockers propranolol, sotalol and acebutolol, the anti-depressants fluoxetine, venlafaxine, desmethylvenlafaxine and citalopram, and the antihistamine chlorpheniramine. Method quantitation limits were <10 ng L-1 and method trueness was 80-110% for most analytes. The method was applied to samples from the Forth and Clyde estuaries, Scotland. Chiral drugs were present at concentrations in the range 4-159 ng L-1 and several were in non-racemic form (enantiomeric fraction ≠ 0.50) demonstrating enantiomer enrichment. This emphasises the need for further enantiospecific drug exposure and effect studies in the marine environment.
Topics: Chromatography, Liquid; Pharmaceutical Preparations; Scotland; Seawater; Solid Phase Extraction; Stereoisomerism; Tandem Mass Spectrometry; Water Pollutants, Chemical
PubMed: 32930212
DOI: 10.1039/d0ay00801j -
Journal of Colloid and Interface Science May 2021The novel environment-friendly hexadecanoamide propyltrimethy lammonium chloride (NQAS16-3) surfactant with different amounts (0.2, 0.4, 0.6, 0.8, 1.0, 1.2 CEC) was...
Adsorption of two β-blocker pollutants on modified montmorillonite with environment-friendly cationic surfactant containing amide group: Batch adsorption experiments and Multiwfn wave function analysis.
The novel environment-friendly hexadecanoamide propyltrimethy lammonium chloride (NQAS16-3) surfactant with different amounts (0.2, 0.4, 0.6, 0.8, 1.0, 1.2 CEC) was firstly used to modify montmorillonite, and the obtained organomontmorillonite (N-Mt) with the amount of surfactant equal to 1.0 CEC was utilized to adsorb two β-blocker pollutants- Atenolol (ATE) and acebutolol (ACE). The experimental results indicated that the equilibrium adsorption capacity of N-Mt(the organo-montmorillonite that the amount of modifier was 1.0 CEC) for ATE and ACE was 93.47 mg/g and 84.55 mg/g, respectively, which was more than twice that of raw montmorillonite for two pollutants, the adsorption was better fitted with the pseudo-second-order model and Langmuir isotherms model, and the adsorption was the spontaneous and exothermic process. Moreover, combining with the Zeta potential values of N-Mt, and with the help of Multiwfn wave function program based on density functional theory (DFT), the electrostatic interaction and the hydrophobic partitioning between N-Mt and two pollutant molecules were verified, p-π/π interaction between NQAS16-3 and ATE (or ACE) may be contributed to the increasing adsorption capacity of N-Mt for two β-blocker pollutants. The work provided novel organomontmorillonite for the removal of non-degradable β-blocker pollutants and the insight of the adsorption mechanism from the atomic level.
PubMed: 33582363
DOI: 10.1016/j.jcis.2021.01.077 -
Journal of Chromatography. A Jan 2023In conventional reversed-phase liquid chromatography (RPLC) with hydro-organic solvents, basic cationic solutes yield retained, broad, asymmetric peaks, owing to their...
In conventional reversed-phase liquid chromatography (RPLC) with hydro-organic solvents, basic cationic solutes yield retained, broad, asymmetric peaks, owing to their interaction with free anionic silanols in the stationary phase. RPLC mobile phases to which the anionic surfactant sodium dodecyl sulphate (SDS), or an ionic liquid (IL) are added, have been proposed as solutions, since these additives are able to block the silanol effect thus improving the chromatographic performance. With these additives, it is however necessary to increase the elution strength by adding an organic solvent, such as an alcohol or acetonitrile. A novel aqueous liquid chromatographic mode (in the absence of organic solvent) is here proposed, where the mobile phases contain only a mixture of aqueous solutions of SDS and an IL derived from 1-alkyl-3-methylimidazolium associated to chloride, both environmentally friendly. When these reagents are added, the anionic surfactant adsorbed on the stationary phase is able to attract the cationic solutes, whereas the adsorbed IL cation repels them. The combination of both effects (attraction and repulsion) allows the modulation of retention, by varying the IL/SDS ratio. Given the character of the additives, a type of green liquid chromatography is achieved. In this work, the chromatographic behavior of six basic compounds of pharmaceutical interest, the β-adrenoceptor antagonists acebutolol, atenolol, carteolol, metroprolol, oxprenolol and propranolol, is examined. In order to assess the chromatographic behavior of the mixed mobile phases containing SDS and IL, changes in retention, peak profile and resolution of mixtures of the analytes were explored at varying concentration of the additives.
Topics: Sodium Dodecyl Sulfate; Ionic Liquids; Chromatography, Liquid; Solvents; Surface-Active Agents; Water; Ethanol; Chromatography, High Pressure Liquid
PubMed: 36580766
DOI: 10.1016/j.chroma.2022.463740 -
Anti-cancer Drugs Nov 2023Anticancer drug resistance is one of the biggest hurdles in the treatment of breast cancer. Drug repurposing is a viable option fordeveloping novel medical treatment...
Anticancer drug resistance is one of the biggest hurdles in the treatment of breast cancer. Drug repurposing is a viable option fordeveloping novel medical treatment strategies since this method is more cost-efficient and rapid. Antihypertensive medicines have recently been found to have pharmacological features that could be used to treat cancer, making them effective candidates for therapeutic repurposing. The goal of our research is to find a potent antihypertensive drug that can be repurposed as adjuvant therapy for breast cancer. In this study, virtual screening was performed using a set of Food and Drug Administration (FDA)-approved antihypertensive drugs as ligands with selected receptor proteins (EGFR, KRAS, P53, AGTR1, AGTR2, and ACE) assuming these proteins are regarded to have a significant role in hypertension as well as breast cancer. Further, our in-silico results were further confirmed by an in-vitro experiment (cytotoxicity assay). All the compounds (enalapril, atenolol, acebutolol, propranolol, amlodipine, verapamil, doxazosin, prazosin, hydralazine, irbesartan, telmisartan, candesartan, and aliskiren) showed remarkable affinity towards the target receptor proteins. However, maximum affinity was displayed by telmisartan. Cell-based cytotoxicity study of telmisartan in MCF7 (breast cancer cell line) confirmed the anticancer effect of telmisartan. IC50 of the drug was calculated to be 7.75 µM and at this concentration, remarkable morphological alterations were observed in the MCF7 cells confirming its cytotoxicity in breast cancer cells. Based on both in-silico and in-vitro studies, we can conclude that telmisartan appears to be a promising drug repurposing candidate for the therapeutic treatment of breast cancer.
Topics: Humans; Female; Telmisartan; Pharmaceutical Preparations; Breast Neoplasms; Drug Repositioning; Antihypertensive Agents; Hypertension; Benzoates
PubMed: 36847075
DOI: 10.1097/CAD.0000000000001509 -
Chemistry (Weinheim An Der Bergstrasse,... Sep 2020Chemical exchange saturation transfer (CEST) MRI has recently emerged as a versatile molecular imaging approach in which diamagnetic compounds can be utilized to...
Chemical exchange saturation transfer (CEST) MRI has recently emerged as a versatile molecular imaging approach in which diamagnetic compounds can be utilized to generate an MRI signal. To expand the scope of CEST MRI applications, herein, we systematically investigated the CEST properties of N-aryl amides with different N-aromatic substitution, revealing their chemical shifts (4.6-5.8 ppm) and exchange rates (up to thousands s ) are favorable to be used as CEST agents as compared to alkyl amides. As the first proof-of-concept study, we used CEST MRI to detect the enzymatic metabolism of the drug acebutolol directly by its intrinsic CEST signal without any chemical labeling. Our study implies that N-aryl amides may enable the label-free CEST MRI detection of the metabolism of many N-aryl amide-containing drugs and a variety of enzymes that act on N-aryl amides, greatly expanding the scope of CEST MR molecular imaging.
Topics: Amides; Contrast Media; Magnetic Resonance Imaging; Molecular Imaging
PubMed: 32639618
DOI: 10.1002/chem.202002415 -
Molecules (Basel, Switzerland) Jun 2024The sustainable catalytic efficacy of transition metal oxides (TMO) and rare earth element-based oxides positions them as pivotal materials for effectively treating...
The sustainable catalytic efficacy of transition metal oxides (TMO) and rare earth element-based oxides positions them as pivotal materials for effectively treating contaminated wastewater. This study successfully synthesized a series of Ce@MnO photocatalysts using a straightforward hydrothermal method. These photocatalysts were thoroughly characterized for their optical properties, structural morphology, and phase purity. Among the synthesized materials, the Ce@MnO (40:60) exhibited the highest photocatalytic activity for the degradation of Acebutolol (ACB), achieving a remarkable degradation efficiency of 92.71% within 90 min under visible light irradiation. This superior performance is attributed to the increased presence of active species and the efficient separation of photogenerated carriers. Additionally, the photocatalytic reaction mechanism was elucidated, highlighting the catalyst's surface charge properties which significantly enhanced performance in a solution with pH 8. The outstanding photo-response in the visible spectrum renders this method not only cost-effective but also environmentally benign, presenting a promising approach for large-scale water purification.
PubMed: 38930919
DOI: 10.3390/molecules29122854 -
Environmental Science and Pollution... Sep 2019Production, distribution, and disposal of pharmaceutical products, including beta-blockers, have become a global issue. Beta-blockers are known to persist in the...
Production, distribution, and disposal of pharmaceutical products, including beta-blockers, have become a global issue. Beta-blockers are known to persist in the environment months after their release and may result in the disruption of the homeostatic system in non-target organisms. Here, we study the bioconcentration of three of the most commonly used beta-blockers and their effect on the regeneration of Girardia dorotocephala, a freshwater brown planarian. Acute toxicity tests determined LCs for acebutolol, metoprolol, and propranolol to be 778 mg/L, 711 mg/L, and 111 mg/L, respectively. The quantification and analysis of beta-blocker bioconcentration during acute exposure were performed by liquid chromatography-tandem mass spectrometry (LC-MS/MS). After 4 days of exposure to beta-blockers, the bioconcentration drastically decreased for all three beta-blockers at all exposure levels, suggesting that an effective mechanism to reduce uptake or excrete beta-blockers could be present. Additionally, Girardia dorotocephala were cut proximal to the head and the quality of regeneration was documented from each fragment daily. No significant difference was visually observed after 2 weeks of regeneration between the brown planarians placed in beta-blocker solution and those placed in control solution.
Topics: Adrenergic beta-Antagonists; Animals; Chromatography, Liquid; Ecotoxicology; Lethal Dose 50; Planarians; Regeneration; Tandem Mass Spectrometry; Toxicity Tests, Acute; Water Pollutants, Chemical
PubMed: 31327142
DOI: 10.1007/s11356-019-05960-y -
Turkish Journal of Pharmaceutical... Dec 2020Acebutolol HCl (ABL) is a selective β-adrenergic receptor blocking agent that is preferably administered by the oral route despite its low bioavailability (30-50%). The...
OBJECTIVES
Acebutolol HCl (ABL) is a selective β-adrenergic receptor blocking agent that is preferably administered by the oral route despite its low bioavailability (30-50%). The purpose of this study was to evaluate the effect of verapamil HCl (VER) [as P-glycoprotein inhibitor (P-gp)] on the intestinal absorption of ABL by comparing the changes in the absorption rate constant (k) of ABL.
MATERIALS AND METHODS
intestinal perfusion was conducted in healthy male Wistar albino rats to study the absorption phase of ABL. Eighteen rats were divided into three groups. The first group (the control group) was perfused with ABL alone (260 μg/mL). The second and third groups were perfused with ABL (260 μg/mL) in combination with VER at different concentrations (200 and 400 μg/mL, respectively). The analysis was performed using a simple, rapid, and validated spectroscopic method.
RESULTS
The absorption study showed that k of ABL in the first group was 0.47±0.045 h-. In the third group k increased 3-fold (1.37±0.031 h-); however, the second group showed a statistically insignificant change in k (0.39±0.076 h-).
CONCLUSION
The results revealed that VER at a concentration of 400 μg/mL has a pronounced effect on the absorption kinetics of ABL (increased k). This could be linked to the inhibition of P-gp, which is considered a contributing factor in low bioavailability of ABL.
PubMed: 33389978
DOI: 10.4274/tjps.galenos.2019.59862 -
Ultrasonics Sonochemistry Sep 2019This study mainly covered the cavitation erosion in probe sonication and its electrochemical behavior. The activated graphite was exfoliated by the probe sonication...
This study mainly covered the cavitation erosion in probe sonication and its electrochemical behavior. The activated graphite was exfoliated by the probe sonication wherein the titanium alloy (TA) is used as a probe (micro-tip). The sonication performed in the aqueous solution contains a mixture of sulfuric acid and nitric acid (1:1). The exfoliated graphite (EG) was examined by field emission scanning electron microscope, Raman and X-ray diffraction pattern analysis. The results showed that some TA particles dissolute from the TA micro-tip accompanied with graphite exfoliation. This dissolution experienced from the cavitation erosion, because the acoustic cavitation makes severe deformation on probe tips due to the bubble collapse. The dissolution rate increased when increasing sonication time; the resultant TA particles are randomly distributed over the EG. These EGTAs applied to the electrochemical oxidation of acebutolol which revealed an appreciable electrochemical performance and also exhibited better analytical performances to the electrochemical determinations. The obtained analytical parameters viz., sensitivity (0.234 µA µM cm), linear range (0.01-15.1 µM), and limit of detection (0.003 µM) are highly comparable with the previous reports. Moreover, it has an acceptable tolerance with the interfering substances.
PubMed: 31101266
DOI: 10.1016/j.ultsonch.2019.04.025 -
Journal of Chromatography. A Aug 2020The influence of impregnation the chromatographic plate adsorbent layer, silica, with hen's egg white albumin (OVA) or bovine serum albumin (BSA) on the retention of...
The influence of impregnation the chromatographic plate adsorbent layer, silica, with hen's egg white albumin (OVA) or bovine serum albumin (BSA) on the retention of some popular medicines (paracetamol, aminophenazone, theophylline, caffeine, acetanilide, ciprofloxacin, tramadol, acetylsalicylic acid, acebutolol) is investigated. The effect of composition and buffer pH of the mobile phase on solute separation selectivity is also studied. The chromatographic systems with and without above mentioned albumins and their influence on investigated drug retention are compared. In general, it has been turned out that retention of tested medicines in systems with the sorbent impregnated with albumin significantly increase relative to those with non-impregnated.
Topics: Adsorption; Animals; Cattle; Chickens; Chromatography, Thin Layer; Egg White; Female; Hydrogen-Ion Concentration; Methanol; Organic Chemicals; Pharmaceutical Preparations; Serum Albumin, Bovine; Silica Gel; Solvents; Spectroscopy, Fourier Transform Infrared; Toluene
PubMed: 32709329
DOI: 10.1016/j.chroma.2020.461277