Aromatic Properties Research Articles

Parent B2 N2 -Perylenes with Different BN Orientations.

Introducing BN units into polycyclic aromatic hydrocarbons expands the chemical space of conjugated materials with novel properties. However, it is challenging to achieve accurate synthesis of BN-PAHs with specific BN positions and orientations. Here, three new parent B2 N2 -perylenes with different BN orientations are synthesized with BN-naphthalene as the building block, providing systematic insight into the effects of BN incorporation with different orientations on the structure, (anti)aromaticity, crystal packing and photophysical properties. The intermolecular dipole-dipole interaction shortens the π-π stacking distance. The crystal structure, (anti)aromaticity, and photophysical properties vary with the change of BN orientation. The revealed BN doping effects may provide a guideline for the synthesis of BN-PAHs with specific stacking structures, and the synthetic strategy employed here can be extended toward the synthesis of larger BN-embedded PAHs with adjustable BN patterns.

Parent B2N2‐Perylenes with Different BN Orientations

AbstractIntroducing BN units into polycyclic aromatic hydrocarbons expands the chemical space of conjugated materials with novel properties. However, it is challenging to achieve accurate synthesis of BN‐PAHs with specific BN positions and orientations. Here, three new parent B2N2‐perylenes with different BN orientations are synthesized with BN‐naphthalene as the building block, providing systematic insight into the effects of BN incorporation with different orientations on the structure, (anti)aromaticity, crystal packing and photophysical properties. The intermolecular dipole–dipole interaction shortens the π–π stacking distance. The crystal structure, (anti)aromaticity, and photophysical properties vary with the change of BN orientation. The revealed BN doping effects may provide a guideline for the synthesis of BN‐PAHs with specific stacking structures, and the synthetic strategy employed here can be extended toward the synthesis of larger BN‐embedded PAHs with adjustable BN patterns.

Bioactive compounds in gladiolus flowers

Abstract Flowers have received special attention not only for their ornamental nature but also for their nutraceutical, cosmetic, aromatic, and culinary properties. This study aimed to characterize physicochemical attributes and the antioxidant capacity of flowers of four gladiolus cultivars. The cultivars used were White Friendship, Rose Supreme, Jester, and T704. We analyzed the content of total soluble solids (SS), total titratable acidity (TA), SS/TA ratio, pH, vitamin C, anthocyanin, flavonoids, total phenolic compounds (TPC), total antioxidant activity (TAA), and the relationship of TPC with flavonoids and TAA for each cultivar. The results showed that the Jester flowers had the lowest TA and highest SS/TA ratio, indicating the best flavor. Jester also had the highest flavonoid content, similarly to the White Friendship and Rose Supreme. As a result, these cultivars have flowers with higher TPC and TAA content than T704. The anthocyanin content was the characteristic attribute of cultivar T704, due to its purple pigmentation. Gladiolus flowers, traditionally used in landscaping and as cut flowers, have the potential for use in human nutrition, particularly the White Friendship, Rose Supreme, and Jester cultivars.

Transcriptome analysis of two Pogostemon cablin chemotypes reveals genes related to patchouli alcohol biosynthesis.

Pogostemon cablin, a medicinally and economically important perennial herb, is cultivated around the world due to its medicinal and aromatic properties. Different P. cablin cultivars exhibit different morphological traits and patchouli oil components and contents (especially patchouli alcohol (PA) and pogostone (PO)). According to the signature constituent of the leaf, P. cablin was classified into two different chemotypes, including PA-type and PO-type. To better understand the molecular mechanisms of PA biosynthesis, the transcriptomes of Chinese-cultivated P. cablin cv. PA-type “Nanxiang” (NX) and PO-type “Paixiang” (PX) were analyzed and compared with ribonucleic acid sequencing (RNA-Seq) technology. We obtained a total of 36.83 G clean bases from the two chemotypes, compared them with seven databases and revealed 45,394 annotated unigenes. Thirty-six candidate unigenes participating in the biosynthesis of PA were found in the P. cablin transcriptomes. Overall, 8,390 differentially expressed unigenes were identified between the chemotypes, including 2,467 upregulated and 5,923 downregulated unigenes. Furthermore, six and nine differentially expressed genes (DEGs) were mapped to the terpenoid backbone biosynthetic and sesquiterpenoid and triterpenoid biosynthetic pathways, respectively. One key sesquiterpene synthase gene involved in the sesquiterpenoid and triterpenoid biosynthetic pathways, encoding patchoulol synthase variant 1, was significantly upregulated in NX. Additionally, GC-MS analysis of the two chemotypes in this study showed that the content of PA in NX was significantly higher than that of PX, while the content of PO showed the opposite phenotype. Quantitative real-time polymerase chain reaction (qRT-PCR) analysis showed that the DEG expression tendency was consistent with the transcriptome sequencing results. Overall, 23 AP2/ERF, 13 bHLH, 11 MYB, 11 NAC, three Trihelix, 10 WRKY and three bZIP genes that were differentially expressed may act as regulators of terpenoid biosynthesis. Altogether, 8,314 SSRs were recognized within 6,825 unigenes, with a distribution frequency of 18.32%, among which 1,202 unigenes contained more than one SSR. The transcriptomic characteristics of the two P. cablin chemotypes are comprehensively reported in this study, and these results will contribute to a better understanding of the molecular mechanism of PA biosynthesis. Our transcriptome data also provide a valuable genetic resource for further studies on P. cablin.

Antioxidant capacity, phytochemical compounds, and volatile compounds related to aromatic property of vinegar produced from black rosehip (Rosa pimpinellifolia L.) juice

Black rosehip (Rosa pimpinellifolia L.) is an edible fruit belonging to the large Rosaceae family. Processing this and similar fruits that have low water into vinegar generates added values. Besides, vinegar consumption has beneficial effects on human health. This study aimed to produce vinegar with enormous functional properties from the black rosehip fruits, which is disadvantaged due to its low water content, and high functional activities, and to convert from this fruit into a high value-added product. As a result, it was showed that the wine and vinegar had higher values of antioxidant activities than the juice; however, the highest values of total phenolic content, total anthocyanin content, total flavonoid content, and antioxidant activity were found in the wine. Gallic acid, catechin, ellagic acid, protocatechuic acid, and epicatechin were the most important bioactive compounds in wine and vinegar. Vitamin-C content increased significantly in the vinegar, giving a positive feature to the vinegar. Especially, the vinegar stood out in terms of volatile aroma compounds, including a total of 28 volatile compounds whose major components were 2-phenylethanol, acetic acid, octanoic acid, ethyl acetate, phenylethyl acetate, and 3-methyl-1-butanol. Also, hexyl-salicylate, 4-terpineol, and dihydro-methyl jasmonate. The present study showed the richness of black rosehip vinegar in aroma compounds and functional aspects. Black rosehip fruit was revealed to be a suitable raw material mainly for vinegar production. A new product was obtained to take advantage of the enormous antioxidant activity of black rosehip fruit, which has limited consumable and processability due to its low water content.

Insight into the protein salting-in mechanism of arginine, magnesium chloride and ethylene glycol: Solvent interaction with aromatic solutes

Key factors in the salting-in effects on proteins of additives are their interactions with aromatic groups. We studied the interaction of four aromatic solutes, benzyl alcohol (BA), phenol, 4-hydroxybenzyl alcohol (4-HBA) and methyl gallate (MG), with different salting-in additives, arginine hydrochloride (ArgHCl), magnesium chloride (MgCl2), ethylene glycol (EG), and guanidine hydrochloride (GdnHCl) using solubility measurements. We used sodium chloride (NaCl) as a control. MgCl2 decreased the solubility of the four aromatic solutes with weak solute dependence. In contrast, ArgHCl, GdnHCl, and EG increased the solubility of four aromatic solutes with a similar solute dependence. Their salting-in effects were weaker on BA and 4-HBA and stronger on phenol and MG. These results indicate that attached groups alter the aromatic properties, affecting the interactions between the benzene ring and these three additives. More importantly, the observed results demonstrate that the salting-in mechanism is different between MgCl2, EG and ArgHCl, which should play a role in their effects on protein solubility.

AGARWOOD: THE PRECIOUS TREE

Agarwood is a highly valuable fragrant wood of Aquilaria spp. It is used for incense, perfume, traditional medicine, and other products in all over the world. The chemical constitutes of agarwood include 2-(2-phenylethyl)-4H-chromen-4-one derivatives, terpenoids (sesquiterpenes), flavonoids etc.The aromatic properties and resin character of agarwood are influence by the species, geographical distribution. This review emphasizes the mass cultivation of Aquilaria tree. Mass cultivation by various induction technologies which serve as a sustainable source to obtain agarwood is necessary in order to increase agarwood supply in the global market.

Cuminum cyminum L. Essential Oil: A Promising Antibacterial and Antivirulence Agent Against Multidrug-Resistant Staphylococcus aureus.

Cuminum cyminum L. (cumin) is valued for its aromatic and medicinal properties. There are several reports of antibacterial activity of C. cyminum essential oil (CcEO). Accordingly, the present study was conducted to investigate the mechanism(s) of action of the CcEO against multidrug-resistant (MDR) Staphylococcus aureus. Therefore, 10 S. aureus MDR isolates, obtained from different sources, were selected based on the antibiotic susceptibility patterns and the Clinical and Laboratory Standards Institute definition and subjected to the examinations. Our results exhibited promising bacteriostatic and bactericidal properties of the CcEO. The minimum inhibitory concentration (MIC) and the minimum bactericidal concentration values ranged from 5 to 10 and 10 to 20 μL ⋅ mL–1, respectively. Scanning electron microscope was used to assess the bacterial cell structure and morphology after the induction with 1/2 MIC concentration of the CcEO. The observed morphological changes appeared to be deformation of the cell membrane and destruction of the cells. In the case of quorum sensing inhibitory potential, treatment of S. aureus isolates with the sub-MIC concentrations (1/2 MIC) of the CcEO significantly reduced the hld expression (3.13-fold downregulation), which considerably controls S. aureus quorum-sensing accessory regulator system. Another virulence factor influenced by the CcEO was the polysaccharide intercellular adhesion production system, as an important component of cell–cell adhesion and biofilm formation. Consequently, the expression level of the intercellular adhesion (ica) locus in the S. aureus cells was examined following treatment with CcEO. The results showed significant decrease (−3.3-fold) in ica expression, indicating that the CcEO could potentially interfere with the process of biofilm formation. Using the ethidium bromide efflux inhibition assay, the S. aureus NorA efflux pump was phenotypically but not genotypically (in quantitative polymerase chain reaction assay) affected by the CcEO treatment. Using gas chromatography–mass spectrometry analysis, cuminic aldehyde (38.26%), α,β-dihydroxyethylbenzene (29.16%), 2-caren-10-al (11.20%), and γ-terpinene (6.49%) were the most detected compounds. The antibacterial and antivirulence action of the CcEO at sub-MIC concentrations means that no microbial resistance will be promoted and developed after the treatment with this agent. These findings revealed that the CcEO is a promising antibacterial agent to control infections caused by the MDR S. aureus strains.

Sub-lethal Camphor Exposure Triggers Oxidative Stress, Cardiotoxicity, and Cardiac Physiology Alterations in Zebrafish Embryos.

Camphor is a terpene ketone with aromatic and volatile properties in nature derived from the bark of Cinnamomum camphora or synthesized from turpentine. Camphor exhibits various biological properties such as anti-microbial, anti-viral, anti-coccidial, and anti-cancer. It is also used as a form of topical medication for skin irritation, joint pain, and as a relief for itching from insect bites. However, even though the high dose of camphor has been documented to be toxic/lethal in humans in different studies, camphor's developmental toxicity has not yet been explored, and its extensive mechanism of action is still unclear. In the present study, we aimed to assess the toxic effects of camphor in zebrafish embryos in the initial developmental stages. The obtained results demonstrated that a sub-lethal dose of camphor caused a decrease in hatching rate, body length, and substantial elevation in malformation rate on zebrafish embryos. On further observation, in the following time frame, curved body and pericardial edema of zebrafish were also observed. Furthermore, exposure to a sub-lethal dose of camphor was also able to trigger cardiotoxicity in zebrafish larvae. Later, on subsequent biochemical analysis, it was found that the antioxidant capacity inhibition and oxidative stress elevation that occurred after camphor exposure might be associated with the inhibition of total superoxide dismutase (SOD) activity and an increase in reactive oxygen species (ROS) and malondialdehyde (MDA) concentration. In addition, compared to the control group, several apoptotic cells in treated zebrafish were also found to be elevated. Finally, after further investigation on marker gene expressions, we conclude that the developmental toxicity of camphor exposure might be associated with apoptosis elevation and oxidative stress. Taken together, the current study provides a better understanding of the developmental toxicity of camphor on zebrafish, a promising alternative animal model to assess the developmental toxicity of chemical compounds.

BN/BO-Ullazines and Bis-BO-Ullazines: Effect of BO Doping on Aromaticity and Optoelectronic Properties.

We have achieved substitutional doping of ullazine with either two BO units or with one BO unit and one BN unit. The synthesis of these B-doped ullazines is straightforward, using demethylation and borylative cyclization as the key steps. Ullazine cores of both BN/BO-ullazines (2) and bis-BO-ullazines (3) are very close to being planar. Their electronic and photophysical properties were investigated by ultraviolet-visible, fluorescence spectroscopy, cyclic voltammetry, and density functional theory calculations.

ANATOMICAL ASPECTS OF THE STEM AND LEAF OF MENTHA x PIPERITA L. (LAMIACEAE)

Mentha x piperita (Lamiaceae) has been known since ancient times due to its aromatic and therapeutic properties. The differences in essential oil composition among the members of the genus Mentha offer a diversity of strains with high contents of menthone, menthol, carvone, linalool, or other valued terpenoid components synthesized by the mevalonic acid pathway. The species was analyzed anatomically. As biologic material, stems and leaves have been sampled from crops, during the vegetation period, before blooming. From an anatomical point of view, transverse sections were made through stems and leaves. At the level of the epidermis, both in the stem and in the leaf, the secretory and the tector trichomes were highlighted. The foliar limb is hypostomatic, with stomata in the inferior epidermis, the stomata being of the diacitic type. The mesophilus of the foliar is bifacial, having palisadic tissue with a single layer of cells, located under the superior epidermis and lacunar tissue, located under the inferior epidermis.

Sustainability Opportunities for Mediterranean Food Products through New Formulations Based on Carob Flour (Ceratonia siliqua L.)

Carob flour is increasingly popular in innovative functional foods. Its main producers are Mediterranean countries, facing health and nutrition challenges, and difficulties in tackling climate change. This study aims at formulating innovative sustainable bakery products of high nutritional value while pleasing the consumer and addressing regional challenges. Hence, carob flour was obtained by grinding sun-dried carob pods, thus reducing the environmental impact, and preserving carob’s high nutraceutical value. Different bread formulations resulted from the blend of wheat flour with carob pulp (5, 10, 20, and 30%) and/or seed powder (5 and 10%), with no added fats, additives, or processing aids. New products were evaluated for their textural, chromatic, nutritional, aromatic, and hedonic properties. Carob is rich in aroma, antioxidants, and prebiotic fibers, and does not contain gluten, so when combined with wheat, the proportion of gluten in bread is reduced. Carob is also rich in minerals (4.16% and 2.00% ash, respectively in seed and pulp), and breadmaking seems to generate lesser furane derivatives than in white bread. In short, carob is typically Mediterranean and is a valuable local resource in the formulation of sustainable foods with high nutritional value, low carbon footprint, safe, healthy, tasty, and affordable, all at once.

Replacement of Chemical Components in Energy Drinks Using Biological Alternatives

Energy drinks are widely used all over the world as an energy booster or stimulant It contains chemicals like caffeine, taurine, excess amount of Vitamin B, ginseng, and sugar which cause different human disorders when consumed on regular basis. Herbs are types of plants with redolent or aromatic properties herbs are used to savor food and are also used in medicines. Herbal compounds are a good source of several nutrient elements essential for the metabolic process. Herbs have wide applications in energy drinks. Herbs like lemon Grass, mint, rosemary, Ashwagandha are used significantly. The current study proposes a way to replace chemical compounds in energy drinks with herbal extract. Natural herbal extracts like rosavin, rosarian, phenols are extracted other properties like the texture of the drink, color, pH, taste, odour were also monitored.

A New Classification of Perceptual Interactions between Odorants to Interpret Complex Aroma Systems. Application to Model Wine Aroma.

Although perceptual interactions are usually mentioned and blamed for the difficulties in understanding the relationship between odorant composition and aromatic sensory properties, they are poorly defined and categorised. Furthermore, old classifications refer mainly to effects on the odour intensity of the mixture of dissimilar non-blending odours and do not consider odour blending, which is one of the most relevant and influential perceptual interactions. Beginning with the results from classical studies about odour interaction, a new and simple systematic is proposed in which odour interactions are classified into four categories: competitive, cooperative, destructive and creative. The first categories are most frequent and display a mild level of interaction, being characterised mostly by analytical processing. The last two are less frequent and activate (or deactivate) configurational processes of object recognition with deep effects on the quality and intensity of the perception. These interactions can be systematically applied to interpret the formation of sensory descriptors from the odorant composition, suggesting that qualitatively the system works. However, there is a lack of quantitative data to work with odour intensities reliably, and a pressing need to systematise the effects of creative interactions.

Remarkable Size Effect on Photophysical and Nonlinear Optical Properties of All-Carboatomic Rings, Cyclo[18]carbon and Its Analogues.

Inspired by recent experimental observation of molecular morphology and theoretical predictions of multiple properties of cyclo[18]carbon, we systematically studied the photophysical and nonlinear optical properties of cyclo[2N]carbons (N=3-15) allotropes through density functional theory. This work unveils the unusual optical properties of the sp-hybridized carbon rings with different sizes. The remarkable size dependence of the optical properties of these systems and their underlying nature are profoundly explored, and the relevance between aromaticity and optical properties are highlighted. The extrapolation curves fitted for energy level of frontier molecular orbitals, maximum absorption wavelength, and (hyper)polarizability of considered carbon rings are presented, which can be used to reliably predict corresponding properties for arbitrarily large carbon rings. The findings in this study will facilitate the exploration of potential application of cyclocarbons in the field of optical materials.

Spectroscopic, Structural, Aromaticity and Electronic Properties of Isatoic Anhydride - Experimental and Theoretical Investigations

The paper compares the experimental FT-IR, 1 H- and 13 C-NMR spectra of isatoic anhydride (ISA) with the Hartree-Fock (HF) and Density Functional Theory (DFT) calculations using three different basis sets (6-31+G(d,p), 6-311+G(d,p), cc-pVTZ). The best compatibility between the experimental and theoretical FT-IR spectrum was observed with the use of B3LYP/6-31+G(d,p) method for ISA. Furthermore, the theoretical 1 H- and 13 C-NMR spectra interpreted by GIAO method depict that the DFT formalism, particularly the B3LYP/6-311+G(d,p) theory of level, gives an accurate description of the ISA experimental chemical shifts. The calculated structural data were also compared with experimental findings. The statistical regression analyses show that the B3LYP/6-31+G(d,p) method results in a correct description of the ISA crystallographic data. Moreover, the frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP) map, and NBO atomic charges of the ISA have been discussed at B3LYP/6-31+G(d,p) theory of level. The FMO analysis were used to determine the charge transfer within ISA and some chemical descriptors such as ionization potential, electron affinity, chemical hardness, softness, chemical potential and electro negativity. The Nucleus-Independent Chemical Shifts (NICS) were also computed for ISA derivatives, 2 - 10 . In the X: O and Y: S derivative, 4 , sulphur substitution increases slightly the aromaticity of ISA skeleton

Diversity of Essential Oils and the Respective Hydrolates Obtained from Three Pinus cembra Populations in the Austrian Alps

Pinus cembra, stone pine, is an Alpine coniferous tree rich in aromatic compounds. Twigs with needles are used commonly to produce essential oils for various purposes in pharmacy, food industry, and cosmetics. Hydrolates as byproducts of hydrodistillation encounter increasing interest owing to their aromatic properties. The variabilities in the compositions of essential oil and the related hydrolates are studied in samples from individual trees growing on three sites in the Austrian high mountain range. The essential oils have been obtained by steam distillation. All essential oils contained monoterpene hydrocarbons as main compounds, especially α-pinene (36–37%), β-phellandrene (27–30%), and β-pinene (7–9%). In contrast, the volatiles in the corresponding hydrolates were dominated by oxidized compounds as α-terpineol (28–34%), terpinen-4-ol (6–8%), and verbenone (6–7%). The pinene rich essential oils might be used in pharmacy as pinene containing oils from other Pinus species, while the hydrolates are of interest for cosmetics and other well-being promoting products.

Plant extracts - importance in sustainable agriculture

Plants due to the high content of various bioactive compounds are the main raw material for production of valuable, and useful bio-products (e.g., food, cosmetics, medicines, biostimulants, biopesticides, and feed). Different plant parts, for instance: seeds, fruits, flowers, stems, leaves, and roots can be used for their manufacture. Nowadays, there is a clear need to develop new, efficient, and environmentally safe methods of stimulation of plant, growth and crop protection. Plant-based extracts are new, natural, and multi-compounds products that could be used for these purposes. They possess antifungal, antimicrobial, antiparasitic, antiprotozoal, antioxidant, medicinal, aromatic, and anti-inflammatory properties. This group of natural products has the potential to become a new generation of bio-products suitable for use in sustainable agriculture. The purpose of this review is to provide an overview of the literature describing the impact of plant-derived extracts/biostimulants (PDBs) on crops grown in controlled, and real conditions as well as under various abiotic and biotic stresses; the extraction methods used to obtain PDBs, and the specific constituents responsible for their biostimulating activity. The application of these bio-products could be beneficial for sustainable production, due to several advantages, such as low toxicity to humans and the environment, enhanced resistance of cultivated plants to biotic and abiotic stress, increased yields and quality of crops, as well as the reduction in the use of mineral fertilisers and pesticides. However, deeper cooperation between industrial and academic research is required to accelerate the development of new environmentally safe solutions for future agriculture. Highlights - Higher plants constitute a rich source of various bioactive compounds for the production of useful natural products. - The importance of the proper choice of extraction method and solvent to process and preserve the desired substances.- Plant extracts as biostimulants and plant protection products for use in modern and sustainable agriculture. - The positive effects of plant-based extracts on plants cultivated under normal and unfavourable conditions.- Plant extracts as a new generation of eco-friendly products for the increment of the production of high-quality food.

Telluracarbaporphyrins and a Related Palladium(II) Complex: Evidence for Hypervalent Interactions.

The reaction of a carbatripyrrin with a tellurophene dicarbinol in the presence of BF3·Et2O, followed by oxidation with DDQ, afforded the first example of a telluracarbaporphyrin. Although this system exhibits strongly aromatic characteristics, it is prone to air oxidation, giving rise to a hydroxy derivative that was characterized by X-ray crystallography. The initial telluracarbaporphyrin reacted with palladium(II) acetate to give a stable organometallic complex, and X-ray crystallography showed that the palladium cation was coordinated to all four atoms in the CNTeN core. An oxacarbatripyrrin was also reacted with a tellurophene dialcohol to give an air-stable porphyrin analogue with a CNTeO core. Nonmetalated telluracarbaporphyrins showed relatively short Te-N separations that strongly implied the involvement of hypervalent tellurium interactions. Furthermore, despite the presence of a very large tellurium atom, the tellurophene subunit is not strongly pivoted away from the mean macrocyclic plane as would be expected in the absence of these interactions. The aromatic properties of heterocarbaporphyrins were assessed by proton NMR spectroscopy, NICS calculations, and AICD plots. In addition, the relative stability of hydroxytelluraporphyrins in comparison to their tellurophene oxide tautomers was investigated and the aromatic characteristics of these oxidized structures were evaluated.

Elucidating the Aromatic Properties of Covalent Organic Frameworks Surface for Enhanced Polar Solvent Adsorption.

Covalent organic frameworks (COFs) have a distinguished surface as they are mostly made by boron, carbon, nitrogen and oxygen. Many applications of COFs rely on polarity, size, charge, stability and hydrophobicity/hydrophilicity of their surface. In this study, two frequently used COFs sheets, COF-1 and covalent triazine-based frameworks (CTF-1), are studied. In addition, a theoretical porous graphene (TPG) was included for comparison purposes. The three solid sheets were investigated for aromaticity and stability using quantum mechanics calculations and their ability for water and ethanol adsorption using molecular dynamics simulations. COF-1 demonstrated the poorest aromatic character due to the highest energy delocalization interaction between B–O bonding orbital of sigma type and unfilled valence-shell nonbonding of boron. CTF-1 was identified as the least kinetically stable and the most chemically reactive. Both COF-1 and CTF-1 showed good surface properties for selective adsorption of water via hydrogen bonding and electrostatic interactions. Among the three sheets, TPG’s surface was mostly affected by aromatic currents and localized π electrons on the phenyl rings which in turn made it the best platform for selective adsorption of ethanol via van der Waals interactions. These results can serve as guidelines for future studies on solvent adsorption for COFs materials.