Displaying publications 41 - 60 of 591 in total

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  1. Gorjian H, Khaligh NG
    Mol Divers, 2022 Dec;26(6):3047-3055.
    PMID: 34982359 DOI: 10.1007/s11030-021-10364-7
    A practical and facile synthesis of various coumarin derivatives was conducted using a liquid phase of 4,4'-trimethylenedipiperidine as a safe and greener dual-task reagent under catalyst-free and solvent-free conditions. This reagent is a commercially available solid and can be handled easily, having a liquid phase over a vast temperature range, high thermal stability, low toxicity, and good solubility in green solvents such as water and ethanol. It is worth mentioning that 4,4'-trimethylenedipiperidine could be completely recovered and regenerated after a simple process. The current method has other merits, including (a) minimizing the use of high-risk and toxic reagents and solvents; (b) the use of a secure and recoverable medium-organocatalyst instead of metal-based catalysts, (c) avoid tedious processes, harsh conditions, and a multi-step process for the preparation of catalysts, (d) transform phenol and salicyladehyde derivatives into the corresponding coumarin derivatives in good to high yields, (e) minimize hazardous waste generation. TMDP could be easily recovered and reused several times with no change in its activity. Furthermore, the current work demonstrated that the liquid phase of 4,4'-trimethylenedipiperidine can be a promising medium in organic reaction at higher temperatures due to its broad liquid range temperature, thermal stability, acceptor/donor hydrogen bond property, and other unique merits. New methodology for the synthesis of coumarines using liquid phase of TMDP under mild conditions.
    Matched MeSH terms: Solvents/chemistry
  2. Badawy MEI, El-Nouby MAM, Kimani PK, Lim LW, Rabea EI
    Anal Sci, 2022 Dec;38(12):1457-1487.
    PMID: 36198988 DOI: 10.1007/s44211-022-00190-8
    Analytical processes involving sample preparation, separation, and quantifying analytes in complex mixtures are indispensable in modern-day analysis. Each step is crucial to enriching correct and informative results. Therefore, sample preparation is the critical factor that determines both the accuracy and the time consumption of a sample analysis process. Recently, several promising sample preparation approaches have been made available with environmentally friendly technologies with high performance. As a result of its many advantages, solid-phase extraction (SPE) is practiced in many different fields in addition to the traditional methods. The SPE is an alternative method to liquid-liquid extraction (LLE), which eliminates several disadvantages, including many organic solvents, a lengthy operation time and numerous steps, potential sources of error, and high costs. SPE advanced sorbent technology reorients with various functions depending on the structure of extraction sorbents, including reversed-phase, normal-phase, cation exchange, anion exchange, and mixed-mode. In addition, the commercial SPE systems are disposable. Still, with the continual developments, the restricted access materials (RAM) and molecular imprinted polymers (MIP) are fabricated to be active reusable extraction cartridges. This review will discuss all the theoretical and practical principles of the SPE techniques, focusing on packing materials, different forms, and performing factors in recent and future advances. The information about novel methodological and instrumental solutions in relation to different variants of SPE techniques, solid-phase microextraction (SPME), in-tube solid-phase microextraction (IT-SPME), and magnetic solid-phase extraction (MSPE) is presented. The integration of SPE with analytical chromatographic techniques such as LC and GC is also indicated. Furthermore, the applications of these techniques are discussed in detail along with their advantages in analyzing pharmaceuticals, biological samples, natural compounds, pesticides, and environmental pollutants, as well as foods and beverages.
    Matched MeSH terms: Solvents/chemistry
  3. Idris MKH, Hasham R, Ismail HF
    Daru, 2022 Dec;30(2):253-272.
    PMID: 35922691 DOI: 10.1007/s40199-021-00414-8
    BACKGROUND: Metabolic syndrome (MetS) is a risk factor for prostate cancer (PCa) progression. Thus, this life-threatening disease demands a proactive treatment strategy. Andrographis paniculata (AP) is a promising candidate with various medicinal properties. However, the bioactivity of AP is influenced by its processing conditions especially the extraction solvent.

    OBJECTIVE: In the present study, bioassay-guided screening technique was employed to identify the best AP extract in the management of MetS, PCa, and MetS-PCa co-disease in vitro.

    METHODS: Five AP extracts by different solvent systems; APE1 (aqueous), APE2 (absolute methanol), APE3 (absolute ethanol), APE4 (40% methanol), and APE5 (60% ethanol) were screened through their phytochemical profile, in-vitro anti-cancer, anti-obese, and anti-hyperglycemic properties. The best extract was further tested for its potential in MetS-induced PCa progression.

    RESULTS: APE2 contained the highest andrographolide (1.34 ± 0.05 mg/mL) and total phenolic content (8.85 ± 0.63 GAE/gDW). However, APE3 has the highest flavonoid content (11.52 ± 0.80 RE/gDW). APE2 was also a good scavenger of DPPH radicals (EC50 = 397.0 µg/mL). In cell-based assays, among all extracts, APE2 exhibited the highest antiproliferative activity (IC50 = 57.5 ± 11.8 µg/mL) on DU145 cancer cell line as well as on its migration activity. In in-vitro anti-obese study, all extracts significantly reduced lipid formation in 3T3-L1 cells. The highest insulin-sensitizing and -mimicking actions were exerted by both APE2 and APE3. Taken together, APE2 showed collectively good activity in the inhibition of PCa progression and MetS manifestation in vitro, compared to other extracts. Therefore, APE2 was further investigated for its potential to intervene DU145 progression induced with leptin (10-100 ng/mL) and adipocyte conditioned media (CM) (10% v/v). Interestingly, APE2 significantly diminished the progression of the cancer cell that has been pre-treated with leptin and CM through cell cycle arrest at S phase and induction of cell death.

    CONCLUSION: In conclusion, AP extracts rich with andrographolide has the potential to be used as an alternative to ameliorate PCa progression induced by factors highly expressed in MetS.

    Matched MeSH terms: Solvents/chemistry
  4. Hoo DY, Low ZL, Low DYS, Tang SY, Manickam S, Tan KW, et al.
    Ultrason Sonochem, 2022 Nov;90:106176.
    PMID: 36174272 DOI: 10.1016/j.ultsonch.2022.106176
    With rising consumer demand for natural products, a greener and cleaner technology, i.e., ultrasound-assisted extraction, has received immense attention given its effective and rapid isolation for nanocellulose compared to conventional methods. Nevertheless, the application of ultrasound on a commercial scale is limited due to the challenges associated with process optimization, high energy requirement, difficulty in equipment design and process scale-up, safety and regulatory issues. This review aims to narrow the research gap by placing the current research activities into perspectives and highlighting the diversified applications, significant roles, and potentials of ultrasound to ease future developments. In recent years, enhancements have been reported with ultrasound assistance, including a reduction in extraction duration, minimization of the reliance on harmful chemicals, and, most importantly, improved yield and properties of nanocellulose. An extensive review of the strengths and weaknesses of ultrasound-assisted treatments has also been considered. Essentially, the cavitation phenomena enhance the extraction efficiency through an increased mass transfer rate between the substrate and solvent due to the implosion of microbubbles. Optimization of process parameters such as ultrasonic intensity, duration, and frequency have indicated their significance for improved efficiency.
    Matched MeSH terms: Solvents/chemistry
  5. New EK, Tnah SK, Voon KS, Yong KJ, Procentese A, Yee Shak KP, et al.
    J Environ Manage, 2022 Apr 01;307:114385.
    PMID: 35104699 DOI: 10.1016/j.jenvman.2021.114385
    The high dependence on crude oil for energy utilization leads to a necessity of finding alternative sustainable resources. Solvents are often employed in valorizing the biomass into bioproducts and other value-added chemicals during treatment stages. Unfortunately, despite the effectiveness of conventional solvents, hindrances such as expensive solvents, unfavourable environmental ramifications, and complicated downstream separation systems often occur. Therefore, the scientific community has been actively investigating more cost-effective, environmentally friendly alternatives and possess the excellent dissolving capability for biomass processing. Generally, 'green' solvents are attractive due to their low toxicity, economic value, and biodegradability. Nonetheless, green solvents are not without disadvantages due to their complicated product recovery, recyclability, and high operational cost. This review summarizes and evaluates the recent contributions, including potential advantages, challenges, and drawbacks of green solvents, namely ionic liquids, deep eutectic solvents, water, biomass-derived solvents and carbon dioxide in transforming the lignocellulosic biomass into high-value products. Moreover, research opportunities for future developments and potential upscale implementation of green solvents are also critically discussed.
    Matched MeSH terms: Solvents
  6. Zaulkiflee ND, Ahmad AL, Che Lah NF, Shah Buddin MMH
    Environ Sci Pollut Res Int, 2022 Feb;29(9):12997-13023.
    PMID: 35048340 DOI: 10.1007/s11356-021-16658-5
    Emerging contaminants (ECs) originated from different agricultural, biological, chemical, and pharmaceutical sectors have been detected in our water sources for many years. Several technologies are employed to minimise EC content in the aqueous phase, including solvent extraction processes, but there is not a solution commonly accepted yet. One of the studied alternatives is based on separation processes of emulsion liquid membrane (ELM) that benefit low solvent inventory and energy needs. However, a better understanding of the process and factors influencing the operating conditions and the emulsion stability of the extraction/stripping process is crucial to enhancing ELM's performance. This article aims to describe the applications of this technique for the EC removal and to comprehensively review the ELM properties and characteristics, phase compositions, and process parameters.
    Matched MeSH terms: Solvents
  7. Lau HLN, Tee YS, Chan MK, Teh SS
    J Oleo Sci, 2022;71(2):177-185.
    PMID: 35110462 DOI: 10.5650/jos.ess21256
    Phosphoric acid is used in the refining of palm oil for the removal of phosphatides. The high concentration of phosphorus in solvent extracted palm-pressed mesocarp fiber oil hinders palm oil mills to recover this phytonutrients-rich residual oil in pressed fiber which typically contains 0.1 to 0.2% of total oil yield. This study aimed to refine the palm-pressed mesocarp fiber oil and determine the optimum dosage of phosphoric acid for acid-degumming of palm-pressed mesocarp fiber oil while retaining its phytonutrients. The refining process was carried out with combination of wet degumming, acid degumming, neutralisation, bleaching and deodorization. The optimum dose of phosphoric acid was identified as 0.05 wt.% by incorporating the wet degumming process. The refined palm-pressed mesocarp fiber oil showed a reduction in phosphorus content by 97% (from 901 ppm to 20 ppm) and 97% free fatty acid content removal (from 6.36% to 0.17%), while the Deterioration of Bleachability Index increased from 1.76 to 2.48, which showed an increment of 41%. The refined oil retained the key phytonutrients such as carotenoids (1,150 ppm) and vitamin E (1,540 ppm) that can be further developed into high-value products. The oil meets the quality specification of refined, bleached, and deodorized palm oil while preserving the heat-sensitive phytonutrients, which in turn provides a new resource of nutritious oil.
    Matched MeSH terms: Solvents
  8. Sadiq AC, Olasupo A, Ngah WSW, Rahim NY, Suah FBM
    Int J Biol Macromol, 2021 Nov 30;191:1151-1163.
    PMID: 34600954 DOI: 10.1016/j.ijbiomac.2021.09.179
    The presence of dyes in the aquatic environment as a result of anthropogenic activities, especially textile industries, is a critical environmental challenge that hinders the availability of potable water. Different wastewater treatment approaches have been used to remediate dyes in aquatic environments; however, most of these approaches are limited by factors ranging from high cost to the incomplete removal of the dyes and contaminants. Thus, the use of adsorption as a water treatment technology to remove dyes and other contaminants has been widely investigated using different adsorbents. This study evaluated the significance of chitosan as a viable adsorbent for removing dyes from water treatment. We summarised the literature and research results obtained between 2009 and 2020 regarding the adsorption of dyes onto chitosan and modified chitosan-based adsorbents prepared through physical and chemical processing, including crosslinking impregnation, grafting, and membrane preparation. Furthermore, we demonstrated the effects of various chitosan-based materials and modifications; they all improve the properties of chitosan by promoting the adsorption of dyes. Hence, the application of chitosan-based materials with various modifications should be considered a cutting-edge approach for the remediation of dyes and other contaminants in aquatic environments toward the global aim of making potable water globally available.
    Matched MeSH terms: Solvents
  9. Gonawan FN, Bakar PNMA, Kamaruddin AH
    J Oleo Sci, 2021 Oct 05;70(10):1437-1445.
    PMID: 34497176 DOI: 10.5650/jos.ess21010
    The Lipase-catalyzed synthesis of glyceryl monocaffeate (GMC) in choline chloride-urea of natural deep eutectic solvent (NADES) media is reported to provide amphiphilic character to caffeic acid (CA). The modification of CA into GMC could potentially increase its solubility and widen the application of CA's biological activities in water and oil-based systems. The high conversion was achieved when the reaction was carried out with the addition of more than 20 %v/v water, at a high molar ratio of glycerol and 40°C. It was found that the lipase-catalyzed transesterification of ethyl caffeate (EC) and glycerol in choline chloride-urea of DES media obeyed ping-pong bi-bi mechanism with Vmax = 10.9 mmol.min-1, KmEC = 126.5 mmol and KmGly = 1842.7 mmol.
    Matched MeSH terms: Solvents
  10. Latiff NA, Ong PY, Abd Rashid SNA, Abdullah LC, Mohd Amin NA, Fauzi NAM
    Sci Rep, 2021 08 27;11(1):17297.
    PMID: 34453075 DOI: 10.1038/s41598-021-96623-x
    Cosmos caudatus (C. caudatus) is a medicinal plant that is high in bioactive compounds such as phenolics. In this study, an ultrasound extraction method was used to optimise the extraction of bioactive compounds from C. caudatus leaves. Response surface methodology (RSM) based on a Box-Behnken design (BBD) was applied to obtain the optimum extraction parameters which is solid-liquid ratio (10-30 g/mL), particle size (180-850 µm) and extraction time (20-30 min) for maximal quercitrin and total phenolic content (TPC) yields. Analysis of antimicrobial activity was performed against two human pathogenic microbes: Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) by the agar well diffusion method. The optimal ultrasonic extraction condition was as follow: solvent-liquid ratio of 1:28 (g/mL), particle size of 485 µm, and duration of 30 min, respectively. Remarkably, extraction using ultrasonic method had recovered more bioactive content and antioxidant activity than the Soxhlet method. The extract also exhibited good antimicrobial activities. Due to the above findings, the ultrasonic extraction was found to be suitable to improve recovery extraction of quercitrin and TPC from C. caudatus leaves. It also opens the possibility that the plant extract can be used for functional food and antimicrobial agents in various applications.
    Matched MeSH terms: Solvents
  11. Ranjha MMAN, Kanwal R, Shafique B, Arshad RN, Irfan S, Kieliszek M, et al.
    Molecules, 2021 Aug 12;26(16).
    PMID: 34443475 DOI: 10.3390/molecules26164893
    Different parts of a plant (seeds, fruits, flower, leaves, stem, and roots) contain numerous biologically active compounds called "phytoconstituents" that consist of phenolics, minerals, amino acids, and vitamins. The conventional techniques applied to extract these phytoconstituents have several drawbacks including poor performance, low yields, more solvent use, long processing time, and thermally degrading by-products. In contrast, modern and advanced extraction nonthermal technologies such as pulsed electric field (PEF) assist in easier and efficient identification, characterization, and analysis of bioactive ingredients. Other advantages of PEF include cost-efficacy, less time, and solvent consumption with improved yields. This review covers the applications of PEF to obtain bioactive components, essential oils, proteins, pectin, and other important materials from various parts of the plant. Numerous studies compiled in the current evaluation concluded PEF as the best solution to extract phytoconstituents used in the food and pharmaceutical industries. PEF-assisted extraction leads to a higher yield, utilizes less solvents and energy, and it saves a lot of time compared to traditional extraction methods. PEF extraction design should be safe and efficient enough to prevent the degradation of phytoconstituents and oils.
    Matched MeSH terms: Solvents/chemistry
  12. Dalle Vacche S, Karunakaran V, Patrucco A, Zoccola M, Douard L, Ronchetti S, et al.
    Molecules, 2021 Aug 04;26(16).
    PMID: 34443315 DOI: 10.3390/molecules26164723
    Nanocellulose was extracted from short bast fibers, from hemp (Cannabis sativa L.) plants harvested at seed maturity, non-retted, and mechanically decorticated in a defibering apparatus, giving non-aligned fibers. A chemical pretreatment with NaOH and HCl allowed the removal of most of the non-cellulosic components of the fibers. No bleaching was performed. The chemically pretreated fibers were then refined in a beater and treated with a cellulase enzyme, followed by mechanical defibrillation in an ultrafine friction grinder. The fibers were characterized by microscopy, infrared spectroscopy, thermogravimetric analysis and X-ray diffraction after each step of the process to understand the evolution of their morphology and composition. The obtained nanocellulose suspension was composed of short nanofibrils with widths of 5-12 nm, stacks of nanofibrils with widths of 20-200 nm, and some larger fibers. The crystallinity index was found to increase from 74% for the raw fibers to 80% for the nanocellulose. The nanocellulose retained a yellowish color, indicating the presence of some residual lignin. The properties of the nanopaper prepared with the hemp nanocellulose were similar to those of nanopapers prepared with wood pulp-derived rod-like nanofibrils.
    Matched MeSH terms: Solvents/chemistry
  13. Yiin CL, Yap KL, Ku AZE, Chin BLF, Lock SSM, Cheah KW, et al.
    Bioresour Technol, 2021 Aug;333:125195.
    PMID: 33932810 DOI: 10.1016/j.biortech.2021.125195
    Biomass wastes exhibit a great potential to be used as a source of non-depleting renewable energy and synthesis of value-added products. The key to the valorization of excess lignocellulosic biomass wastes in the world lies on the pretreatment process to recalcitrant barrier of the lignocellulosic material for the access to useful substrates. A wide range of pretreatment techniques are available and advances in this field is continuously happening, in search for cheap, effective, and environmentally friendly methods. This review starts with an introduction to conventional approaches and green solvents for pretreatment of lignocellulosic biomass. Subsequently, the mechanism of actions along with the advantages and disadvantages of pretreatment techniques were reviewed. The roles of choline chloride (ChCl) in green solvents and their potential applications were also comprehensively reviewed. The collection of ideas in this review serve as an insight for future works or interest on biomass-to-energy conversion using green solvents.
    Matched MeSH terms: Solvents
  14. Wong LC, Leh CP, Goh CF
    Carbohydr Polym, 2021 Jul 15;264:118036.
    PMID: 33910744 DOI: 10.1016/j.carbpol.2021.118036
    Hydrogels are an attractive system for a myriad of applications. While most hydrogels are usually formed from synthetic materials, lignocellulosic biomass appears as a sustainable alternative for hydrogel development. The valorization of biomass, especially the non-woody biomass to meet the growing demand of the substitution of synthetics and to leverage its benefits for cellulose hydrogel fabrication is attractive. This review aims to present an overview of advances in hydrogel development from non-woody biomass, especially using native cellulose. The review will cover the overall process from cellulose depolymerization, dissolution to crosslinking reaction and the related mechanisms where known. Hydrogel design is heavily affected by the cellulose solubility, crosslinking method and the related processing conditions apart from biomass type and cellulose purity. Hence, the important parameters for rational designs of hydrogels with desired properties, particularly porosity, transparency and swelling characteristics will be discussed. Current challenges and future perspectives will also be highlighted.
    Matched MeSH terms: Solvents/chemistry
  15. Goh YS, Karunakaran T, Murugaiyah V, Santhanam R, Abu Bakar MH, Ramanathan S
    Molecules, 2021 Jun 17;26(12).
    PMID: 34204457 DOI: 10.3390/molecules26123704
    Mitragyna speciosa Korth (kratom) is known for its psychoactive and analgesic properties. Mitragynine is the primary constituent present in kratom leaves. This study highlights the utilisation of the green accelerated solvent extraction technique to produce a better, non-toxic and antinociceptive active botanical extract of kratom. ASE M. speciosa extract had a dry yield (0.53-2.91 g) and showed a constant mitragynine content (6.53-7.19%) when extracted with organic solvents of different polarities. It only requires a shorter extraction time (5 min) and a reduced amount of solvents (less than 100 mL). A substantial amount of total phenolic (407.83 ± 2.50 GAE mg/g and flavonoids (194.00 ± 5.00 QE mg/g) were found in ASE kratom ethanol extract. The MTT test indicated that the ASE kratom ethanolic leaf extract is non-cytotoxic towards HEK-293 and HeLa Chang liver cells. In mice, ASE kratom ethanolic extract (200 mg/kg) demonstrated a better antinociceptive effect compared to methanol and ethyl acetate leaf extracts. The presence of bioactive indole alkaloids and flavonols such as mitragynine, paynantheine, quercetin, and rutin in ASE kratom ethanolic leaf extract was detected using UHPLC-ESI-QTOF-MS/MS analysis supports its antinociceptive properties. ASE ethanolic leaf extract offers a better, safe, and cost-effective choice of test botanical extract for further preclinical studies.
    Matched MeSH terms: Solvents/chemistry
  16. Shahinuzzaman M, Akhtar P, Amin N, Ahmed Y, Anuar FH, Misran H, et al.
    Sci Rep, 2021 Jun 14;11(1):12503.
    PMID: 34127747 DOI: 10.1038/s41598-021-91913-w
    In this study, the extraction conditions extracted maximize amounts of phenolic and bioactive compounds from the fruit extract of Ficus auriculata by using optimized response surface methodology. The antioxidant capacity was evaluated through the assay of radical scavenging ability on DPPH and ABTS as well as reducing power assays on total phenolic content (TPC). For the extraction purpose, the ultrasonic assisted extraction technique was employed. A second-order polynomial model satisfactorily fitted to the experimental findings concerning antioxidant activity (R2 = 0.968, P 
    Matched MeSH terms: Solvents/chemistry
  17. Hassan SH, Velayutham TS, Chen YW, Lee HV
    Int J Biol Macromol, 2021 Jun 01;180:392-402.
    PMID: 33737185 DOI: 10.1016/j.ijbiomac.2021.03.066
    The present work focuses on the development of cellulose nanofibrils (CNF) film that derived from sustainable biomass resources, which potentially to work as bio-based conductive membranes that assembled into supercapacitors. The chemically purified cellulose was isolated from different parts of coconut (coconut shell and its husk) and further subjected to 2,2,6,6-tetramethylpiperidine-1-oxyl radical (TEMPO)-mediated oxidation for CNF preparation. Physicochemical properties of prepared CNFs were studied in terms of chemical characteristics & crystallinity, surface functionalities, surface morphology, and thermal properties. Both coconut shell-derived CNF and coconut husk-derived CNF fulfilled with nanocellulose's characteristics with fibres width ranged of 70-120 nm and 150-330 nm, respectively. CNF films were further prepared by solvent casting method to measure the modulus elasticity, piezoelectric and dielectric properties of the films. Mechanical study indicated that coconut shell-derived CNF film showed a higher value of elastic modulus than the coconut husk-derived CNF film, which was 8.39 GPa and 5.36 GPa, respectively. The effectiveness of electrical aspects for CNF films are well correlated with the crystallinity and thermal properties, associated with it's composition of different coconut's part.
    Matched MeSH terms: Solvents
  18. Salma H, Melha YM, Sonia L, Hamza H, Salim N
    J Pharm Sci, 2021 06;110(6):2531-2543.
    PMID: 33548245 DOI: 10.1016/j.xphs.2021.01.032
    The purpose of this study was to simultaneously predict the drug release and skin permeation of Piroxicam (PX) topical films based on Chitosan (CTS), Xanthan gum (XG) and its Carboxymethyl derivatives (CMXs) as matrix systems. These films were prepared by the solvent casting method, using Tween 80 (T80) as a permeation enhancer. All of the prepared films were assessed for their physicochemical parameters, their in vitro drug release and ex vivo skin permeation studies. Moreover, deep learning models and machine learning models were applied to predict the drug release and permeation rates. The results indicated that all of the films exhibited good consistency and physicochemical properties. Furthermore, it was noticed that when T80 was used in the optimal formulation (F8) based on CTS-CMX3, a satisfactory drug release pattern was found where 99.97% of PX was released and an amount of 1.18 mg/cm2 was permeated after 48 h. Moreover, Generative Adversarial Network (GAN) efficiently enhanced the performance of deep learning models and DNN was chosen as the best predictive approach with MSE values equal to 0.00098 and 0.00182 for the drug release and permeation kinetics, respectively. DNN precisely predicted PX dissolution profiles with f2 values equal to 99.99 for all the formulations.
    Matched MeSH terms: Solvents
  19. Maiangwa J, Hamdan SH, Mohamad Ali MS, Salleh AB, Zaliha Raja Abd Rahman RN, Shariff FM, et al.
    J Mol Graph Model, 2021 06;105:107897.
    PMID: 33770705 DOI: 10.1016/j.jmgm.2021.107897
    Critical to the applications of proteins in non-aqueous enzymatic processes is their structural dynamics in relation to solvent polarity. A pool of mutants derived from Geobacillus zalihae T1 lipase was screened in organic solvents (methanol, ethanol, propanol, butanol and pentanol) resulting in the selection of six mutants at initial screening (A83D/K251E, R21C, G35D/S195 N, K84R/R103C/M121I/T272 M and R106H/G327S). Site-directed mutagenesis further yielded quadruple mutants A83D/M121I/K251E/G327S and A83D/M121I/S195 N/T272 M, both of which had improved activity after incubation in methanol. The km and kcat values of these mutants vary marginally with the wild-type enzyme in the methanol/substrate mixture. Thermally induced unfolding of mutants was accompanied with some loss of secondary structure content. The root mean square deviations (RMSD) and B-factors revealed that changes in the structural organization are intertwined with an interplay of the protein backbone with organic solvents. Spatially exposed charged residues showed correlations between the solvation dynamics of the methanol solvent and the hydrophobicity of the residues. The short distances of the radial distribution function provided the required distances for hydrogen bond formation and hydrophobic interactions. These dynamic changes demonstrate newly formed structural interactions could be targeted and incorporated experimentally on the basis of solvent mobility and mutant residues.
    Matched MeSH terms: Solvents
  20. Mawazi SM, Doolaanea AA, Hadi HA, Chatterjee B
    Int J Pharm, 2021 Jun 01;602:120638.
    PMID: 33901596 DOI: 10.1016/j.ijpharm.2021.120638
    Crystallinity plays a vital role in the pharmaceutical industry. It affects drug manufacturing, development processes, and the stability of pharmaceutical dosage forms. An objective of this study was to measure and analyze the carbamazepine (CBZ) crystallinity before and after formulation. Moreover, it intended to determine the extent to which the crystallinity of CBZ would affect the drug loading, the particle size, and the release of CBZ from the microparticles. The CBZ microparticles were prepared by encapsulating CBZ in ethyl cellulose (EC) polymer using a solvent evaporation method. EC was used here as a release modifier polymer and polyvinyl alcohol (PVA) as an aqueous phase stabilizer. Factorial design was used to prepare the CBZ microparticle formulations, including polymer concentration, solvent (dichloromethane, ethyl acetate), PVA concentrations factor, the homogenization time, and homogenization speed. The crystallinity of CBZ was calculated utilizing differential scanning calorimetry (DSC) thermal analysis. The crystallinity was calculated from the enthalpy of CBZ. Enthalpy was analyzed from the area under the curve peak of CBZ standard and CBZ-loaded microparticles. DSC and ATR-FTIR assessed the possible interaction between CBZ and excipients in the microparticle. The prepared CBZ microparticles showed various changes in the crystallinity rate of CBZ. The changes in the rate of CBZ crystallinity had different effects on the particle size, the drug loading, and the release of CBZ from the polymer. Statistically, all studied factors significantly affected the crystallinity of CBZ after formulation to microparticles.
    Matched MeSH terms: Solvents
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