AppliedChem, Volume 3, Issue 4 (December 2023) – 7 articles

Carrier oils are used with essential oils to dilute and enhance skin penetration. They are composed of fatty acids, triglycerides, monoterpenes, and sesquiterpenes and are added to reduce potency and odor. Carrier oils have pharmaceutical applications and reduce cytotoxicity. Solvent extraction is a common practice in the production of industrial-scale carrier oils, but harmful to the environment, so new eco-friendly methods are being researched. This review documents the available characteristics of various carrier oils and identifies knowledge gaps for future studies. Full article

Cannabis sativa L. is an ancient cultivar that has found applications in various fields, e.g., medicine, due to its beneficial effects. However, due to its psychotropic effects, the regulation of this cultivar has increased throughout the decades. In this context, the need for rapid and reliable analytical methods to ensure the quality control of Cannabis cultivars has become of extreme importance. NIRS has arisen as a powerful tool in this field due to its multiple advantages, e.g., non-destructive, rapid, and cost-effective. In this article, the chemometric techniques commonly employed in NIRS method development are described, along with their application for the analysis of Cannabis samples. Regarding qualitative methods, different mathematical treatments and classification models are explained. As for quantitative methods, the representative linear and non-linear modelling techniques applied for the development of prediction equations are described, alongside their application in the Cannabis field. To the best of our knowledge, this is the first time this type of review is written, since there are several articles which address cannabinoid determination, but the main purpose of this review is to enhance the potential of NIRS over the traditional techniques employed for the analysis of Cannabis samples. Full article

Through the Lilly Open Innovation Drug Discovery program (OIDD), we discovered five cationic bis(aryltriazol-4-yl)methyl)-6,7-dimethoxytetrahydroisoquinolinium derivatives that effectively inhibit human nicotinamide N-methyltransferase. Compounds 4a, 4c, and 4f demonstrated activity against hNNMT in enzymatic-based testing, with IC₅₀ values of 3.177 μM, 7.9 μM, and 4.477 μM, respectively. In cell-based testing, 4c and 4f inhibited the enzyme in HEK293 cells with an IC₅₀ value of 2.81 μM and 1.97 μM. Compound 4m inhibited hNNMT in the enzymatic-based assay by 98% at a concentration of 10 μM, with IC₅₀ of 1.011 μM in the cell-based assay. Through structure-activity relationship analysis, we found that the active compounds had electron-withdrawing substituents at the 4-position of the phenyl-triazole, while compounds containing bulky and electron-donating groups at the same position did not display any activity. The results of docking studies using AutoDock 4.2 showed that all active compounds had similar binding patterns at the NNMT active site. They occupied the nicotinamide binding site and about two-thirds of the S-adenosyl-L-methionine site. However, the SAR and docking results of 4g contradicted the compound’s inactivity. Nevertheless, the molecular docking studies provided insight into how the ligands interact with the protein and explained the activity of our compounds. Full article

In this study, a purification route was applied to crude glycerol and its valorization via etherification was evaluated. Crude glycerol samples were obtained through transesterification reactions of soybean oil with methanol using potassium hydroxide as catalyst. A set of separation steps (acidification, neutralization, salt precipitation, evaporation and removal of contaminants using ion-exchange resins) was performed for purification of crude glycerol. The glycerol contents of crude samples were 46% wt., and for purified samples they were above 98% wt. The etherification reactions were carried out with purified samples and different alcohols (ethanol, isopropanol and 3-methyl-1-butanol) placed into a batch reactor, using a small amount of Amberlyst 15 as a catalyst, with autogenous pressure and solvent-free conditions. The glycerol conversion, selectivity and yield to ethers were evaluated. A glycerol conversion of up to 97% wt. was obtained when using ethanol. For isopropanol, the glycerol conversion rate was 85% (97.1% of monoether and 2.8% of diether). However, the selectivity to ethers for 3-methyl-1-butanol was negligible (<3% wt.). A process simulation for the purification and etherification steps integrated with a biodiesel production process was assessed in terms of productivity and energy consumption, considering different scenarios of glycerol/alcohol molar ratios. Finally, main impacts on the overall energy consumption were evaluated for the purification processes (glycerol and ethers). Full article

The residual oil saturation of the matrix near the well zone of a tight reservoir is high due to the tight reservoir’s complex conditions, such as the small pore throat radius and low permeability of the matrix and the development of microfractures, which can result in serious water channeling, even after long-term water injection development. The aim of this paper is to improve the effects of depressurization and augmented injection for tight reservoir waterflooding development by reducing the tight matrix’s residual oil saturation, increasing and maintaining its water phase permeability near the well zone using a nano-SiO₂ microemulsion system with a small particle size and high interfacial activity. Therefore, four nano-microemulsion systems were evaluated and screened for their temperature resistance, salt resistance, interfacial tension, solubilization, and dilution resistance. A microemulsion system of 13% A + 4% B + 4% C + 4% n-butanol + 6% oil phase + 69% NaCl solution (10%) + 1% OP-5 + 0.5% anti-temperature agent + 0.3% nanosilica material was preferred. According to the core displacement experiment, the depressurization rate can reach 28~60% when the injection concentration of the system is 1~10% and the injection volume is 2~5 PV. The results of the on-site test show that the water injection pressure dropped to 17.5 MPa, which was lower than the reservoir fracture re-opening pressure. The pressure reduction rate was approximately 20%. The validity period of the depressurization and augmented injection has reached 23 months to date. Full article

In order to enhance the efficiency of heavy metal ion extraction from aqueous medium, new nanocomposite magnetic sorbents were synthesized on the base of natural zeolite (Zt) and nanoparticles of ZnFe₂O₄ (F). The composition, structure and physical–chemical properties of new composites with 2% (Zt-2F), 8% (Zt-8F) and 16% (Zt-16F) of zinc ferrite were characterized by XRD, BET adsorption–desorption of nitrogen, SEM with elemental mapping, TEM and magnetometry. The sorption capacity of materials was assessed towards Cu²⁺ ions in aqueous solutions, for which kinetic and equilibrium features of sorption were established. The maximal sorption capacity (a_max, mg/g) of the studied materials increased in the order: Zt (19.4) < Zt-2F (27.3) < Zt-8F (30.2) < Zt-16F (32.8) < ZnFe₂O₄ (161.3). The kinetics of the sorption process followed a pseudo-second order kinetic model. The sorption equilibrium at zinc ferrite was successfully described by the Langmuir model, while the Freundlich model better fitted the sorption equilibrium on zeolite and composites. The efficiency of Cu²⁺ ion extraction from 320 mg/dm³ aqueous solution was 63% for composite Zt-16F and 100% for a sample of ZnFe₂O₄. It was established that the proposed composite sorbents provide the operation of several cycles without regeneration, they can be easily recycled with 0.1 N HCl solution and are capable of magnetic separation. The advantages of new composites and the proposed method of synthesis allow recommending these materials as effective sorbents of heavy metals from wastewater. Full article

The food industry produces substantial amounts of waste, which can cause a lot of environmental issues. However, such waste is also a valuable source of bioactive substances that can potentially be used either by the food industry or other types of industries, in the production of medicines, nutraceuticals, cosmetics, etc. The present study proposes a novel approach to extract such bioactive compounds from orange peel waste using hydrophobic eutectic solvents synthesized with thymol and fatty acids (hexanoic and octanoic acid). A response surface methodology was employed to optimize the extraction conditions and achieve maximum recovery of carotenoids. The optimal hydrophobic eutectic solvent consisted of thymol and hexanoic acid at a molar ratio of 2:1, and the optimum extraction was achieved using a solvent-to-solid ratio of 12:1 and a temperature of 20 °C for 78 min; this resulted in a recovery of 259.45 μg of total carotenoids per g of dry matter, which is a significantly higher recovery compared to common organic solvents. Based on the above, it is demonstrated that hydrophobic eutectic solvents is a promising solvent that can be used to extract bioactive compounds from orange peel waste. Full article