Caffeoylquinic Acid Derivatives Research Articles

Influence of Harvesting Stages on Phytonutrients and Antioxidant Properties of Leaves of Five Purple-Fleshed Sweet Potato (Ipomoea batatas) Genotypes

Sweet potatoes (Ipomoea batatas) are highly profitable, contribute to food security, and their leaves contain phytonutrients. This study examined the optimal leaf harvesting stage by harvesting newly formed leaves (leaves 1 to 5) to achieve the highest concentration of carotenoids, phenolic compounds, antioxidant properties and mineral content. Leaves of five purple-fleshed sweet potato genotypes ‘2019-11-2’ and ‘2019-1-1’, ‘Purple-purple’, and from the USA ‘08-21P’ and ‘16-283P’ were harvested based on tuber life cycle [vegetative 8 weeks after planting (VS-8WAP), tuber initiation (TIS-12WAP), and tuber maturation phases (TMS-16WAP)]. At the 8WAP stage, leaves of genotype ‘2019-11-2’ had the highest concentrations of cyanidin-caffeoyl-sophoroside-glucoside (17.64 mg/kg), cyanidin-caffeoyl-feruloyl-sophoroside-glucoside (41.51 mg/kg), peonidin-caffeoyl-hydroxybenzoyl-sophoriside-glucoside (45.25 mg/kg), and peonidin caffeoyl-feruloyl-sophoriside-glucoside (24.47 mg/kg), as well as antioxidant scavenging activity. In contrast, ‘Purple-purple’ harvested at TIS-12WAP showed the highest concentration of caffeoylquinic acid derivatives. Zeaxanthin, lutein, all trans-β-carotene, and cis-β-carotene are the most abundant carotenoids in genotype ‘08-21P’ at VS-8WAP. As a result, local genotypes ‘2019-11-2’ harvested at 8WAP and ‘Purple-purple’ harvested at 12WAP are potential sources of anthocyanins and caffeoylquinic acid derivatives. Conversely, USA’s genotype ‘08-21P’ at the VS-8WAP stage is an excellent source of carotenoids. The leaves of USA’s ‘08-21P’ genotype and the local ‘2019-11-2’ genotype at TMS-16WAP exhibited the highest content of Fe and Mn, respectively. The study identified the optimal leaf stage for consumption of leaves and for use as a functional ingredient.

Characterization and Quantification of the Major Bioactive Compounds in Mexican Purple Tomatoes.

The present work carries out a quantitative analysis of the major bioactive compounds found in the native Mexican purple tomatoes. Total phenolic content ranged from 7.54 to 57.79mg TPC/g DM, total flavonoid content ranged from 1.89 to 16.93mg TFC/g DM, total anthocyanin content ranged from 0.29 to 2.56mg TAC/g DM, and total carotenoid content ranged from 0.11 to 0.75mg TCC/ g DM. In addition, 14 phenolic acids were identified, among which caffeoylquinic acid derivatives were the most abundant compounds with chlorogenic acid concentration up to 9.680mg/g DM, together with flavonoids, such as rutin and quercetin-hexoxide. The qualitative analysis also showed the presence of 9 acylated anthocyanins and 2 carotenoids with significant functional features. As for anthocyanins, their chemical structures disclosed special structural features: glycosylated anthocyanins exhibited cis-trans hydroxycinnamic moieties and petunidin-3-(trans-p-coumaroyl)-rutinoside-5-glucoside was reported to be the main anthocyanin, whitin the range of concentrations between 0.160 and 1.143mg/g DM.

Light-Emitting Diodes and Liquid System Affect the Caffeoylquinic Acid Derivative and Flavonoid Production and Shoot Growth of Rhaponticum carthamoides (Willd.) Iljin.

Plant in vitro cultures can be an effective tool in obtaining desired specialized metabolites. The purpose of this study was to evaluate the effect of light-emitting diodes (LEDs) on phenolic compounds in Rhaponticum carthamoides shoots cultured in vitro. R. carthamoides is an endemic and medicinal plant at risk of extinction due to the massive harvesting of its roots and rhizomes from the natural environment. The shoots were cultured on an agar-solidified and liquid-agitated Murashige and Skoog's medium supplemented with 0.1 mg/L of indole-3-acetic acid (IAA) and 0.5 mg/L of 6-benzyladenine (BA). The effect of the medium and different treatments of LED lights (blue (BL), red (RL), white (WL), and a combination of red and blue (R:BL; 7:3)) on R. carthamoides shoot growth and its biosynthetic potential was observed. Medium type and the duration of LED light exposure did not affect the proliferation rate of shoots, but they altered the shoot morphology and specialized metabolite accumulation. The liquid medium and BL light were the most beneficial for the caffeoylquinic acid derivatives (CQAs) production, shoot growth, and biomass increment. The liquid medium and BL light enhanced the content of the sum of all identified CQAs (6 mg/g DW) about three-fold compared to WL light and control, fluorescent lamps. HPLC-UV analysis confirmed that chlorogenic acid (5-CQA) was the primary compound in shoot extracts regardless of the type of culture and the light conditions (1.19-3.25 mg/g DW), with the highest level under R:BL light. BL and RL lights were equally effective. The abundant component was also 3,5-di-O-caffeoylquinic acid, accompanied by 4,5-di-O-caffeoylquinic acid, a tentatively identified dicaffeoylquinic acid derivative, and a tricaffeoylquinic acid derivative 2, the contents of which depended on the LED light conditions.

Quinic and caffeic acids derivatives: Affecting antioxidant capacities and phenolics contents of certain therapeutic and specialty crops employing water and ethanolic extracts

Recently, there has been a growing interest in medicinal and specialty crops due to their high content of health-promoting compounds, such as quinic acid and caffeic acid derivatives. In light of this, the objective of this study was to analyze the levels of caffeic and quinic acid, specifically caffeoylquinic acid derivatives, in water and water-ethanolic extracts obtained from medicinal plants, including chocolate mint (Mentha piperita L), lemon balm (Melissa officinalis), sweet basil (Ocimum basilicum), and sweet potato tops (Ipomoea batatas L. Lam) using high-performance liquid chromatography. The results showed that the water extracts contained significantly higher amounts of caffeoylquinic acid derivatives than the ethanolic extracts. Among the plants tested, sweetpotato leaves exhibited the highest total phenolic acids content (28.60 mg CQA·g−1), followed by lemon balm (14.71 mg CQA·g−1) and chocolate mint (5.49 mg CQA·g−1) in water-ethanolic extracts. The water-ethanolic extracts from sweet potato leaves were particularly rich in caffeoylquinic acids, especially 5-CQA (10.84 ± 0.31 mg CQA·g−1) and 3-CQA (6.69 ± 0.14 mg CQA·g−1), followed by lemon balm (3.81 ± 0.14 and 1.37 ± 0.05 mg CQA·g−1). On the other hand, sweet basil had the lowest content of all compounds (0.41 and 2.29 mg CQA·g−1). Additionally, an identifiable compound, 3, 4, 5 tri-caffeoylquinic acids (2.98 ± 0.09 mg CQA·g−1), was detected only in sweetpotato leaves and not in the other herbs studied. The findings of this study highlight the significant phytochemical properties present in these medicinal plants, which could have potential therapeutic applications for various conditions.

Quality and production enhancement of fish mint, Houttuynia cordata Thunb., cultivated in a hydroponic planting system with designed plant growth-promoting additives

Fish mint, Houttuynia cordata Thunb. (HCT) is an edible vegetable that has also been used in traditional folk medicines. As both a medicinal herb and a dietary source, HCT has been clinically proven to be a pivotal ingredient in formulas administered to alleviate COVID-19 symptoms. With the increasing market demand for imported materials, ensuring the quality consistency of HCT becomes a significant concern. In this study, the growing time for hydroponically-cultivated HCT with seaweed extract and amino acids added (HCTW) reduced by half compared to conventional soil-cultivated HCT (HCTS). Key quantified components in HCTW, flavonoid glycosides and caffeoylquinic acid derivatives, exhibited a 143% increase over HCTS. These crucial constituents were responsible for possessing antioxidant activity (IC50 < 25 μg/mL) and anti-nitrite oxide production (IC50 < 20 μg/mL). An economically-designed hydroponic system with appropriate additives is proposed to replace HCTS with improvements of growth time, overall production yields, and bioactive qualities.

Valorisation of sweet potato leaves as a potential agri‐food resource: Assessing nutritional and nutraceutical values altered by food processing—A review

SummarySweet potato leaves are rich in nutrients and bioactive substances. They are commonly utilised as human foodstuff in some Asian, African and North American countries. Leafy vegetables are generally processed through domestic cooking or industrial processing techniques before consumption. This paper reviews the available literature on the nutritional composition and phytochemical profile, along health benefits of processed sweet potato leaves. Discussion on the applications of sweet potato leaves as a valuable fortifying ingredient in a variety of food formulations is included. Domestic cooking resulted in a substantial increase in protein content at optimal conditions but led to a significant loss of bioactive compounds. Vacuum freeze‐drying retained most of nutrients and caffeoylquinic acid derivatives. Fermentation and supplementation as fortifying ingredients in food formulations could improve the nutritional status and sensory characteristics of the final products. This review can facilitate the development of an integrated plant for the valorisation of sweet potato agro‐industrial residues and aid the food industry in obtaining fortified foods with sweet potato leaf loaded.

Characterization of the Effect of a Novel Production Technique for 'Not from Concentrate' Pear and Apple Juices on the Composition of Phenolic Compounds.

The consumption of 'not-from-concentrate' (NFC) fruit juices can be a convenient and enjoyable way to incorporate the nutritional benefits and flavors of fruits into one's diet. This study will focus on the effect of production of juices from apple and pear fruits, by using centrifugal decanter and tangential filtration, on the profile of polyphenols as a valuable source of bioactive compounds. Likewise, by-products from the juice industry were characterized in order to understand the high-value-added potential based on their composition of polyphenols. Briefly, apple and apple juice showed great contents of chlorogenic acid (0.990 ± 0.021 mg/g of DW), the dihydrochalcone phloridzin (1.041 ± 0.062 mg/g of DW), procyanidins (0.733 ± 0.121 mg/g of DW) and quercetin derivatives (1.501 ± 0.192 mg/g of DW). Likewise, the most abundant compounds in pear and pear juices were chlorogenic acid (0.917 ± 0.021 mg/g of DW), caffeoylquinic acid (0.180 ± 0.029 mg/g of DW), procyanidins (0.255 ± 0.016 mg/g of DW) and quercetin derivatives (0.181 ± 0.004 mg/g of DW). Both temperature and tangential speed affect the amount of phenolic compounds in fruit juices, highlighting the need to control the technological process to obtain a more nutritious/healthier beverage. Overall, NFC juices arise as a better option when compared with concentrated juices. Furthermore, the higher yield of phenolic compounds found in fruit pomace clearly open new ways for upcycling this fruit by-product as a high-value-added ingredient.

Investigation of Bioactive Complexes of Chitosan and Green Coffee Bean or Artichoke Extracts.

The formation of water-insoluble complexes between chitosan (ChS) and caffeoylquinic acid (CQ) derivatives present in artichoke (AE) and green coffee bean (GCBE) extracts was investigated by the equilibrium adsorption method. The UPLC/HPLC analysis revealed that the phenolic compounds accounted for 8.1% and 74.6% of AE and GCBE respectively, and CQ derivatives were the predominant compounds. According to the applied Langmuir adsorption model, anionic compounds present in natural extracts were adsorbed onto the active centers of ChS, i.e., primary amino groups. The driving forces of adsorption were electrostatic interactions between cationic groups of ChS and anionic compounds of natural extracts. Chromatographic analysis revealed that not only CQ derivatives, but also other phenolic compounds of natural extracts were attached to ChS. The release of adsorbed compounds into different media as well as the bioactive properties of complexes were also studied. With the immobilization of bioactives onto ChS, increased and prolonged ABTS•+ radical scavenging activity and decreased antifungal activity against Fusarium graminearum and Botrytis cinerea were observed compared to those of ChS. The findings of the current study highlight that the adsorption approach could be used to successfully prepare water-insoluble complexes of ChS and components of natural extracts with prolonged antioxidant activity.

Response Surface Methodology as an Experimental Strategy for Ultrasound-Assisted Extraction of Phenolic Compounds from Artichoke Heads.

The accurate quantification of phenolic compounds (PCs) in foods has become mandatory for a reliable estimation of PCs dietary intake. However, the extraction step of these molecules from the food matrix is a challenging and complex task. To manage the current lack of an official or generally accepted procedure for the recovery of phenolics, the application of statistical and mathematical tools, such as the response surface methodology (RSM), that allow the optimization of extraction parameters and the acquisition of the best output, has become the analytical approach of choice. The aim of this study was to apply an RSM-optimized ultrasound-assisted procedure to extract phenolic compounds from artichoke (Cynara cardunculus L. var. scolymus (L.) Hegi, cultivar "Campagnano") heads. The effect of extraction time, temperature, and solvent-to-sample ratio on the profile and content of phenolic acids and flavonoids was investigated. The total phenolic content was 488.13 ± 0.56 mg GAE 100 g-1 dry matter (dm) and total flavonoid content was 375.03 ± 1.49 mg CATeq 100 g-1 dm when the optimum extraction conditions were set. The HPLC analysis showed that caffeoylquinic acid derivatives (i.e., cynarin and 1,5-O-dicaffeoylquinic acid) were the main compounds in globe artichokes. Caffeic and p-coumaric acids were also identified. In regard to flavonoids, only the flavone luteolin-7-O-glucoside was identified.

Bioassay guided isolation of caffeoylquinic acids from the leaves of Ilex pubescens Hook. et Arn. and investigation of their anti-influenza mechanism.

Ilex pubescens Hook. et Arn. (Maodongqing, MDQ) is a common herbal tea ingredient in Southern China for heat clearance and anti-inflammation. Our preliminary screening showed that 50% ethanol extract of its leaves has anti-influenza virus activity. In this report, we proceed to identify the active components and clarify the related anti-influenza mechanisms. We aim to isolate and identify the anti-influenza virus phytochemicals from the extract of the MDQ leaves, and study their anti-influenza virus mechanism. Plaque reduction assay was used to test the anti-influenza virus activity of fractions and compounds. Neuraminidase inhibitory assay was used to confirm the target protein. Molecular docking and reverse genetics were used to confirm the acting site of caffeoylquinic acids (CQAs) on viral neuraminidase. Eight CQAs, 3,5-di-O-caffeoylquinic acid methyl ester (Me 3,5-DCQA), 3,4-di-O-caffeoylquinic acid methyl ester (Me 3,4-DCQA), 3,4,5-tri-O-caffeoylquinic acid methyl ester (Me 3,4,5-TCQA), 3,4,5-tri-O-caffeoylquinic acid (3,4,5-TCQA), 4,5-di-O-caffeoylquinic acid (4,5-DCQA), 3,5-di-O-caffeoylquinic acid (3,5-DCQA), 3,4-di-O-caffeoylquinic acid (3,4-DCQA), and 3,5-di-O-caffeoyl-epi-quinic acid (3,5-epi-DCQA) were identified from the MDQ leaves, in which Me 3,5-DCQA, 3,4,5-TCQA and 3,5-epi-DCQA were isolated for the first time. All these eight compounds were found to inhibit neuraminidase (NA) of influenza A virus. The results of molecular docking and reverse genetics indicated that 3,4,5-TCQA interacted with Tyr100, Gln412 and Arg419 of influenza NA, and a novel NA binding groove was found. Eight CQAs isolated from the leaves of MDQ were found to inhibit influenza A virus. 3,4,5-TCQA was found to interact with Tyr100, Gln412 and Arg419 of influenza NA. This study provided scientific evidence on the use of MDQ for treating influenza virus infection, and laid the foundation for the development of CQA derivatives as potential antiviral agents.

Cynarin, a caffeoylquinic acid derivative in artichoke, inhibits exocytotic glutamate release from rat cortical nerve terminals (synaptosomes)

The purpose of this study was to evaluate the effect of cynarin, a caffeoylquinic acid derivative in artichoke, on glutamate release elicited by 4-aminopyridine (4-AP) in rat cortical nerve terminals (synaptosomes). We observed that cynarin decreased 4-aminopyridine-elicited glutamate release, which was prevented by the removal of external free Ca2+ with ethylene glycol bis (β-aminoethyl ether)-N,N,N,N-tetraacetic acid (EGTA) or the blockade of P/Q-type calcium channels with ω-agatoxin IVA. Molecular docking also revealed that cynarin formed a hydrogen bond with the P/Q-type Ca2+ channel, indicating a mechanism of action involving Ca2+ influx inhibition. Additionally, the inhibitory effect of cynarin on glutamate release is associated with a change in the available synaptic vesicles, as cynarin decreased 4-AP-elicited FM1-43 release or hypertonic sucrose-evoked glutamate release from synaptosomes. Furthermore, the suppression of protein kinase A (PKA) prevented the effect of cynarin on 4-AP-elicited glutamate release. 4-AP-elicited PKA and synapsin I or synaptosomal-associated protein of 25 kDa (SNAP-25) phosphorylation at PKA-specific residues were also attenuated by cynarin. Our data indicate that cynarin, through the suppression of P/Q-type Ca2+ channels, inhibits PKA activation and attenuates synapsin I and SNAP-25 phosphorylation at PKA-specific residues, thus decreasing synaptic vesicle availability and contributing to glutamate release inhibition in cerebral cortex terminals.

Antioxidant pectins from eggplant (Solanum melongena) fruit exocarp, calyx and flesh isolated through high-power ultrasound and sodium carbonate

Dried and milled eggplant fruit peel and calyces (PC) and mesocarp, placenta and core (Mes) were utilized as natural sources of valuable chemicals. Pectins were extracted with 0.1 M Na2CO3 (1 h; 23 °C). A high-power ultrasound (US) pretreatment (10 min net time; 12.76 W/cm2 power intensity) in 10:200 (g/mL) powder:water ratio led to the lowest solvent and energy consumptions after the subsequent 0.1 M Na2CO3 stirring, permitting the highest recoveries of uronic acid (UA) from PC and Mes (80.25 and 93.8 %, respectively). Homogalacturonans (>65 % w/w UA) of low degree of methylesterification, of acetylation, and 90,214–138,184 Da molecular weights with low polydispersity (≈1.32–1.40) were obtained. They included released ferulate (≈3.5 mg/100 g) esterified pectins. Antioxidants (caffeoylquinic acid, putrescine and spermidine derivatives, β-carotene, lutein) gave additional technological value to their thickening effect as pectins protected tryptophan, tyrosine, alkyl side chains and sulfhydryl of skim milk proteins from UV-C photo-oxidation.

Rapid detection of traditional Chinese medicine with neuraminidase inhibitory activities based on high-throughput and virtual screening strategy

BackgroundOseltamivir, a neuraminidase inhibitor (NAI), is the primary and first-line anti-influenza drug. In recent years, more and more oseltamivir resistant strains appeared frequently. PurposeTo identify anti-influenza candidates to overcome oseltamivir resistance from traditional Chinese medicine. MethodsHigh-throughput screening platform was used to screen candidates with oseltamivir sensitive and resistant neuraminidase (NA) inhibitory activities from traditional Chinese medicine (TCM) and in validation of potential active components in vitro. Molecular docking is used for virtual screening of TCM compound libraries and analysis of the molecular mechanism of active compounds. ResultsSix out of 188 TCM formula granules were screened out with good inhibitory activities in oseltamivir sensitive (H5N1) and resistant NA (H274Y mutant). A compound library containing 679 candidates in the above six plants were docked into binding pockets of H5N1 NA and its H274Y mutant. The results indicated that diverse structural types, including flavonoids glycosides, alkaloids, caffeoylquinic acid derivatives, etc. showed good docking scores on the two NAs. Furthermore, 10 representative compounds tested in vitro showed inhibitory activities in both oseltamivir sensitive and resistant NA. The docking simulations revealed that natural TCM molecules bind with NA in an absolute different mode compared with oseltamivir, which occupy the extra cavities adjacent to the active site of NA, thus might make them non-susceptible to be influenced by mutation around the active sites. ConclusionsThe combination of high-throughput screening and molecular docking can efficiently screen out candidates that have the potential to overcome oseltamivir resistance from TCM.

Antifungal Activity of Spent Coffee Ground Extracts

Coffee is one of the most popular and consumed products in the world, generating tons of solid waste known as spent coffee grounds (SCG), containing several bioactive compounds. Here, the antifungal activity of ethanolic SCG extract from caffeinated and decaffeinated coffee capsules was evaluated against yeasts and filamentous fungi. These extracts had antifungal activity against Candida krusei, Candida parapsilosis, Trichophyton mentagrophytes, and Trichophyton rubrum, all skin fungal agents. Moreover, SCG had fungicidal activity against T. mentagrophytes and T. rubrum. To understand the underlying mechanisms of the antifungal activity, fungal cell membrane and cell wall components were quantified. SCG caused a significant reduction of the ergosterol, chitin, and β-(1,3)-glucan content of C. parapsilosis, revealing the synthesis of this membrane component and cell wall components as possible targets of these extracts. These extracts were cytotoxic for the tumoral cell lines tested but not for the non-tumoral PLP2 cell line. The analysis of the phenolic compounds of these extracts revealed the presence of caffeoylquinic acid, feruloylquinic acid, and caffeoylshikimic acid derivatives. Overall, this confirmed the antifungal activity of spent coffee grounds, presenting a potential increase in the sustainability of the life cycle of coffee grounds, as a source for the development of novel antifungal formulations, especially for skin or mucosal fungal infections.

Chemical constituents from the fruits of Ferula ovina (Boiss.) Boiss. and their chemotaxonomic significance

Phytochemical analysis of the fruits of Ferula ovina (Boiss.) Boiss. resulted in isolation and identification of eleven compounds, including two monoterpene-phenyl esters (1 and 4), four sesquiterpene-phenyl esters (2, 3, 5 and 6), three caffeoylquinic acid derivatives (7, 9 and 10) and two flavonol glycosides (8 and 11). The structures of isolated compounds were elucidated on the basis of NMR spectral data. Compounds 8–10 were isolated for the first time in the genus Ferula and this is the first report of the presence of the compounds 3 and 5–10 in Ferula ovina. Chemotaxonomic significance of the isolated compounds was also discussed.

HPLC-PDA/ESI-MS Analysis of Phenolic Compounds and Bioactivities of the Ethanolic Extract from Flowers of Moroccan Anacyclus clavatus.

In this work, polyphenols were extracted from Anacylus clavatus flowers using a hydroethanolic solvent, and the obtained extract was studied for its total phenol and flavonoid contents and evaluated for its antioxidant and antibacterial capacities. The contents of total phenols and flavonoids were measured by employing gallic acid and quercetin as references, respectively, and the phenolic composition analysis was conducted using high-performance liquid chromatography combined with a photodiode array and electrospray ionization mass spectrometry (HPLC-PDA/ESI-MS). The antioxidant capacity of the extracts was tested using a potassium ferric reducing antioxidant power (PFRAP) assay, and the antibacterial activity assay was carried out against Gram-negative bacteria (Escherichia coli and Salmonella typhimirium) and Gram-positive bacteria (Staphyloccocus aureus and Listeria monocytogenes) using the broth microdilution assay. The phenolic and flavonoid contents of the extracts equaled 9.53 ± 0.48 mg GAE/g dm and 1.31 ± 0.06 mg QE/g dm, respectively. The chromatographic analysis of the phenolic profile detected 26 phenolic compounds belonging to phenolic acids, flavones and flavonols, and with the caffeoylquinic acid derivatives being the major phenolic compounds present in 12 isomers. Only one organic compound, viz. citric acid, was found. The extracts exhibited interesting antioxidant activity. Bacteriostatic activity towards Escherichia coli and bactericidal activity against Salmonella typhimirium, Staphyloccocus aureus and Listeria monocytogenes were determined. This study revealed that Anacyclus clavatus flower extracts contain phenolic compounds with interesting bioactivities.

Overexpression of the &lt;i&gt;Ib-rolB/C&lt;/i&gt; gene perturbs biosynthesis of caffeoylquinic acid derivatives in transgenic calli of sweet potato

Ipomoea batatas is a root crop widely cultivated in South America, Africa, and Asia. This is also a source of caffeoylquinic acid derivatives (CQAs) with potential health-promoting benefits. Sweet potato genome carries two separate cellular T-DNA (cT-DNA) regions (IbT-DNA1 and IbT-DNA2). Especially, IbT-DNA2 contains five ORFs homologous to the Agrobacterium rhizogenes T-DNA, namely ORF13, ORF14, ORF17n, ORF18/ORF17n, and RolB/RolC proteins [1]. Unfortunately, presently there is insufficient information on IbT-DNA2 genes function in the physiological processes of sweet potatoes.&#x0D; In this study, expressional levels of the IbT-DNA2 genes and the effect of Ib-rolB/C overexpression were examined using I. batatas cell culture. We discovered that I. batatas cT-DNA genes were not expressed in callus, and abiotic stresses and chemical elicitors affected their transcriptional levels weakly. Additionally, two Ib-rolBC-transgenic cell lines have been established though Agrobacterium-mediated transformation of I. batatas callus cells. Overexpression of Ib-rolB/C gene reduced biomass accumulation of transgenic cell lines by 1.21.6 times and increased the CQAs content by 1.51.9-fold. To justify the metabolic fluctuations, the study also looked into the expression patterns of the major biosynthetic genes, namely bPAL, IbC4H, Ib4CL, IbHCT, and IbHQT. The obtained data demonstrated that the overexpression of the Ib-rolB/C reduced the IbPAL transcript but considerable increase in the transcript levels of the IbHQT. We propose that this result was obtained through as-yet-uncharacterized signaling pathways activated by RolB/RolC.

MD and DFT computational simulations of Caffeoylquinic derivatives as a bio-corrosion inhibitor from quince extract with experimental investigation of corrosion protection on mild steel in 1M H2SO4

The inhibition performance of Quince Extract (Q.E.) at concentrations of 0–1200 ppm on the low carbon steel corrosion in the corrosive media of sulfuric acid (H2SO4) was evaluated by using conventional electrochemical methods (potentiodynamic polarization and impedance spectroscopy). Based on the results, Q.E. displays a mixed-type behavior as an inhibitor. The inhibition efficiency of Q.E. increased with its concentration in the acid solution .The highest performance was observed at the maximum tested concentration (1200 ppm). Using polarization and EIS results, the highest inhibition efficiency of Q.E. was estimated to be 94.5% and 90.7%, respectively. Structural units and functional groups of Q.E. were detected by Fourier transform infrared spectroscopy. This spectroscopy confirmed that the extract contains nitrogen atoms, oxygen atoms, and aromatic rings that are known to have corrosion inhibition effects. The morphology of the specimen's surface after exposure to H2SO4 with and without Q.E. was examined by SEM and AFM techniques. This examination showed substantially lower surface degradation in the low-carbon steel specimens exposed to the acid in the presence of Q.E. The Langmuir isotherm approach was utilized to explain the adsorption of Q.E. onto the low-carbon steel surface. The Gibbs free energy calculated based on this approach (-21.05 kJ-mol−1) confirmed that the Q.E. adsorption onto the steel surface is supposed to involve more physisorption. In addition to the results of molecular simulation and computational chemistry, such as molecular dynamics simulation (MD), density functional theory (DFT), and Monte Carlo for all Caffeoylquinic acid derivatives confirmed that amino acid of quince extracts in an acidic medium (1 M sulfuric acid) adsorbed on compact and energetic iron surfaces mainly surfaces with miller index (110), which are inclined to corrosion and electrochemical reactions, takes place spontaneously.

Effect of Stress Signals and Ib-rolB/C Overexpression on Secondary Metabolite Biosynthesis in Cell Cultures of Ipomoea batatas

Ipomoea batatas is a vital root crop and a source of caffeoylquinic acid derivatives (CQAs) with potential health-promoting benefits. As a naturally transgenic plant, I. batatas contains cellular T-DNA (cT-DNA) sequence homologs of the Agrobacterium rhizogenes open reading frame (ORF)14, ORF17n, rooting locus (Rol)B/RolC, ORF13, and ORF18/ORF17n of unknown function. This study aimed to evaluate the effect of abiotic stresses (temperature, ultraviolet, and light) and chemical elicitors (methyl jasmonate, salicylic acid, and sodium nitroprusside) on the biosynthesis of CQAs and cT-DNA gene expression in I. batatas cell culture as a model system. Among all the applied treatments, ultraviolet irradiation, methyl jasmonate, and salicylic acid caused the maximal accumulation of secondary compounds. We also discovered that I. batatas cT-DNA genes were not expressed in cell culture, and the studied conditions weakly affected their transcriptional levels. However, the Ib-rolB/C gene expressed under the strong 35S CaMV promoter increased the CQAs content by 1.5-1.9-fold. Overall, our results show that cT-DNA-encoded transgenes are not involved in stress- and chemical elicitor-induced CQAs accumulation in cell cultures of I. batatas. Nevertheless, overaccumulation of RolB/RolC transcripts potentiates the secondary metabolism of sweet potatoes through a currently unknown mechanism. Our study provides new insights into the molecular mechanisms linked with CQAs biosynthesis in cell culture of naturally transgenic food crops, i.e., sweet potato.

Ethnomedicinal, phytochemical and pharmacological investigations of Baccharis dracunculifolia DC. (ASTERACEAE).

Baccharis dracunculifolia DC (Lamiaceae) (Asteraceae) is found in South America, mainly in Argentina, Brazil, Bolivia, Paraguay and Uruguay. Folk medicine is used as a sedative, hypotensive, bronchodilator, cardiovascular disorders, anti-flu, and also in skin wounds. Considered the main source of green propolis, which increases the pharmacological interest in this species. It is also known as a "benefactor" plant facilitating the development of other plant species around it, being indicated for the recovery of degraded areas. This species has been studied for decades in order to isolate and identify the active principles present in the aerial parts (leaves and flowers) and roots. The present study consists of a review of the scientific literature addressing the ethnobotanical, ethnomedicinal, phytochemical, pharmacological and potential cytotoxic effects of the B. dracunculifolia species. In this survey, we sought to investigate issues related to the botanical and geographic description of the species, the ethnobotanical uses, as well as the phytochemical studies of the essential oil, extracts and green propolis obtained from the aerial parts and roots of B. dracunculifolia. Using high precision analytical tools, numerous compounds have already been isolated and identified from leaves and flowers such as the flavonoids: naringenin, acacetin, dihydrokaempferol, isosakuranetin and kaempferide; phenolic acids: p-coumaric, dihydrocoumaric, ferulic (E)-cinnamic, hydroxycinnamic, gallic, caffeic, and several caffeoylquinic acids derivatives; phenolic acids prenylated: artepillin C, baccharin, drupanin; the glycosides dracuculifosides and the pentacyclic triterpenoids: Baccharis oxide and friedelanol. The predominant class in the essential oil of leaves and flowers are terpenoids comprising oxygenated monoterpenes and sesquiterpenes, highlighting the compounds nerolidol, spathulenol, germacrene D and bicyclogermacrene. These compounds give the species high antimicrobial, antioxidant, antitumor, analgesic, immunomodulatory and antiparasitic potential, making this species a promising herbal medicine. In vitro toxicity assays with B. dracunculifolia extract showed low or no cytotoxicity. However, in vivo analyses with high doses of the aqueous extract resulted in genotoxic effects, which leads us to conclude that the toxicity of this plant is dose-dependent.