Aromatic Properties Research Articles

Structure, aromatic properties and preparation of the quinazolin-4-one molecule

The government has emphasized the significance of making significant investments in scientific research to develop herbicides, fungicides, bactericides, anthelmintic agents, weed and pest control agents, and alternative pesticides that are eco-friendly and can be exported. In this research, the aromaticity of quinazolin-4-one a and p was studied. A one-stage method for obtaining quinazolin-4-one a was developed by condensation of anthranilic acid and formamide when heated to Wood's alloy. Quinazolin-4-one exhibits conformity with Hückel's rules upon undergoing a reaction with alkali metals, hydrides, and alkalis. An investigation was performed to assess the aromaticity of both para and ortho quinazolin-4-one. Quinazolin-4-one a was obtained through a one-step process, which involved condensing anthranilic acid and formamide using Wood's alloy at a temperature of 130-135 ºС for two hours, which was found to be optimal.

Prospects of cultivation and production of fireweed in the north-east of Kazakhstan

The article is devoted to the study of the prospects of fireweed cultivation and production in the northeast of Kazakhstan. Based on the analysis of literary sources, got data on the chemical composition of fireweed, which has a rich chemical composition and excellent taste and aromatic properties. A wide range of useful properties of fireweed finds its application in food technology. The article describes the morphological, biological, and ecological characteristics of the local populations of fireweed. The results of introducing fireweed, to study the effective methods of summer and autumn sowing and planting in the conditions of the Zhelezinskii district of the Pavlodar region, are presented. The features of phenology and morphology of plants, depending on the timing and methods of sowing and planting, were studied. Based on the results of the research revealed the optimal methods of agrotechnics of growing fireweed in the northeast of Kazakhstan. Adapted to local conditions, technologies of harvesting and processing plant raw materials in Phyto tea were proposed. Based on the analysis of productivity of natural populations of fireweed, the effectiveness of its introduction into the culture and market conditions the economic prospects of production of Ivan tea based on local wild and cultivated plant raw materials.

Traditional Ethnobotanical Applications of Artemisia alba Turra and Artemisia absinthium L. from Stara Planina Mt in Serbia

Artemisia alba Turra and Artemisia absinthium L. are two plant species within the genus Artemisia L. (Compositae), that played significant roles in the ethnobotanical practices of diverse cultures. This study aims to provide an in-depth exploration of these plants’ traditional uses, cultural significance, and potential therapeutic applications, shedding light on their historical and contemporary relevance. The present study presents a holistic view of the ethnobotanical knowledge associated with A. alba and A. absinthium across different regions at Stara Planina Mt in Serbia, employing a comprehensive research methodology, including a literature review, field survey, and interviews with local communities. The findings revealed a spectrum of traditional uses for both plants. A. alba has been employed for its reported medicinal properties, particularly in treating digestive disorders, fever, and skin conditions. Additionally, its aromatic properties have led to its inclusion in culinary practices and its use in the cosmetic industry. A. absinthium, commonly known as wormwood, has a rich history of therapeutic services. Traditional medicine systems have utilized it for its potential as a digestive aid, antiparasitic agent, and febrifuge. The plant is most known as an ingredient in preparing herbal liqueurs in various societies worldwide throughout history. The study also explores these plants’ potential pharmacological and nutraceutical applications, as modern research has highlighted their bioactive compounds with antimicrobial, anti-inflammatory, and antioxidant properties. The ethnobotanical exploration of A. alba and A. absinthium underscores their multidimensional roles in human societies. Their uses in traditional medicine, culinary arts, and cultural practices highlight the relationships between plants and people. This research contributes to the preservation of traditional knowledge. It emphasizes the importance of sustainable management and conservation efforts of these botanical resources.

Impacts of external fields on aromaticity and acidity of benzoic acid: a density functional theory, conceptual density functional theory and information-theoretic approach study.

The impact of external fields on the molecular structure and reactivity properties has been of considerable interest in the recent literature. Benzoic acid as one of the most widely used compounds in medicinal and materials sciences is known for its dual propensity in aromaticity and acidity. In this work, we systematically investigate the impact of a uniform external electric field on these properties. We apply density functional theory, conceptual density functional theory, and an information-theoretic approach to appreciate the change pattern of aromaticity and acidity properties in external fields with different strengths. Our results show that they possess different change patterns under external fields, which can be satisfactorily rationalized by variations in reactivity descriptors and partial charges. The surprising yet novel results from this study should enrich the body of our knowledge about the impact of external fields for different kinds of electronic properties and provide guidance and foundation for future studies of this phenomenon in other molecular systems.

Radical metallacyclopropene: synthesis, structure and aromaticity.

Metallaaromatics are an important class of aromatic compounds, showing diverse and interesting aromatic properties. Radical rhenabenzofurans 1-3 with a fused metallacyclopropene unit are reported, containing d1 Re centers. Computational studies show that the three-membered rhenacyclopropene ring is σ-aromatic, while the rhenafuran ring is nonaromatic. These complexes represent the first radical metallacyclopropenes. α-Metallabenzofuran complexes 4-5 with d0 Re centers and 6 with a d2 Re center are also synthesized. α-Metallabenzofurans 1-6 have adjacent oxidation states (Re(III), Re(IV), and Re(V)). Both the structure and aromatic nature of these metallacycles are affected by the change of oxidation states of the metal center.

Magnetic Properties of Cyclo[n]Carbons (n = 10–34)

Quantum-chemical calculations of the magnetic properties (magnetically induced ring-current strength, magnetizability) of even- and odd-number cyclo[n]carbons (n = 10–34) were carried out. The total energy of the studied molecules as a function of the external magnetic field was found for the first time. The obtained dependences predict correctly the magnetic nature of cyclo[n]carbons. For even-number aromatic cyclo[n]carbons the energy of the system increases with increasing magnetic field, while for antiaromatic systems, the energy decreases. Such behavior indicates that aromatic even-number cyclo[n]carbons (n = 4k+2) are diamagnetic, whereas antiaromatic even-number cyclo[n]carbons (n = 4k) are paramagnetic. These results are confirmed by the previously calculated average magnetizability values. In the case of odd-number cyclo[n]carbons, all structures except C13 are diamagnetic. Antiaromatic C13 is paramagnetic according to average magnetizability calculations. It was shown that nonaromatic cyclo[n]carbons (n = 28–34) at high magnetic fields (B > 300 T) possess a nonlinear effect of the increase in the energy of the system with increasing magnetic field. This effect can be observed experimentally in NMR spectra at a magnetic field greater than 300 T. The performed calculations demonstrate that the HF method correctly predicts the magnetic and aromatic properties of cyclo[n]carbons (n = 10–34).

A COMPARATIVE LC/MS ANALYSIS OF JORDANIAN BAY LEAF, BRANCHES, AND ROOTS (LAURUS NOBILIS L.)

Bay laurel (Laurus nobilis L.) is an agriculturally important tree used in the food, drugs, and the cosmetics industry. Many of the health beneficial properties of bay laurel are due to the volatile terpene metabolites that they contain, including various norisoprenoids. In this study, chemical composition of essential oils of all parts of Laurus Nobilis L. traded as spice and medicinal items were analyzed by a novel method of analysis called liquid chromatography-mass spectrometry. Liquid chromatography-mass spectrometry (LC-MS/MS)-based approaches are widely used for the identification and quantitation. A total of 17 compounds accounting between 0.30 and 96% of the total essential oil were identified in leaves, branches, and roots of the freshly collected bay-laurel planted in the northern area of Jordan. Qualitative and quantitative differences in the indicators were found among essential oils obtained from bay leaves, branches, and roots. The oxygenated compounds were the principal fraction in all analyzed essential oils. The oxygenated of monoterpenes and Isoquercitrin was found to be equal to 96.51% in leaves, 93.5% in branches, and 88% in roots. Spiraeoside was found to be equal to 65% in leaves, 63% in roots, and 39% in branches. The highest content of Meta-Vitexin (22 %) was found in branches, whereas the highest content of Catechin (15 %) was found in roots. The fruit contains up to 30% fatty oils and about 1% essential oils (terpenes, sesquiterpenes, alcohols, and ketones). It was found that leaves had the most percentage of essential oils, which made uses of leaves as medical and a spice worldwide, with aromatic, stimulant and narcotic properties, rather than branches or roots.

Aromatic changes in home-made truffle products after heat treatments

Truffles are highly valued by their aromatic properties and can aromatize food products. However, the truffle aroma could be reduced or lost with heat treatments (pasteurization and sterilization) necessary for products security and safety. In this study, sunflower oil and honey were aromatized with black truffle (lyophilized and fresh) using two different concentrations (5 and 10 %) for 24 h and then heat treatments (pasteurization and sterilization) were carried out. Truffle organic volatile compounds from products were investigated by SPME-GC–MS and sensory analysis by trained panel. More than 80 compounds were detected. Some of them were affected differently by heat process depending on the food matrix. Professional tasters scored higher key aromatic attributes such as sulphurous and olive oil in fresh truffle products, regardless the heat treatment applied.

Precise Molecular Design for Two Parent BN‐Pentacyclic Isomers Through Stitching Engineering Toward Extremely Sensitive Explosive Detection

AbstractThe incorporation of BN units into polycyclic aromatic hydrocarbons (PAHs) has been ascertained to be a promising strategy for creating novel materials with unique functions and properties. However, it poses a formidable challenge to achieve precise construction of BN‐PAHs with variable skeleton module, which conversely, enhances greater understanding of the structure‐property relationship. Herein, two BN‐pentacyclic isomers (P‐BN‐BT and I‐BN‐BT) with different stitching patterns are addressed comprehensively, in which the integrated analysis reveals that the geometric structure, aromaticity, and photophysical properties indeed vary with the variational stitching models. More interestingly, further investigations show that the I‐BN‐BT with twisted molecular configuration displays a low fluorescence quantum yield, while the P‐BN‐BT with fully planar conformation exhibits high quantum yield and exceptional mechanochromic luminescent (MCL) properties. More importantly, P‐BN‐BT shows extreme sensitivity toward 2,4,6‐trinitrophenol (TNP). Visual detection of TNP is handily performed by fabrication of the test strips, which reaches ppm level under daylight. This work provides systematic insight into the effects of BN doping and highlights the importance of accurate control of the stitching patterns in conjugated materials.

Minimum Number of Kekulé Structures of Certain Benzenoid Graphs and -Polyacenic Nanotubes

In a molecular graph, a Kekulé structure and perfect matching resembles the same. Thus, the number of Kekulé structure(chemically) is equal to the number of perfect matching (mathematically) required to cover the edge set or covalent bonds of a molecular graph entirely. The number of possible Kekulé structures in a molecule (benzenoids) is used to describe the extent of its aromatic property and plays an significant role in the analysis of resonance energy and stability of certain chemical compounds. In this article, the minimum number of Kekulé structures (K) that covers all the edges of a class of peri-condensed benzenoid graphs possessing three rows of hexagon of various length and -polyacenic nanotubes were discussed and summarized.

HOMO-LUMO energy gaps of complexes of transition metals with single and multi-ring aromatics

Optical and electronic properties of aromatics and their clusters are critical to interpreting phenomena ranging from flame-formed nanoparticles to interstellar dust. These properties are also important to their applications as organic semiconductor materials. Aromatic hydrocarbons often form coordination bonds with metal atoms and cations, forming complexes with electronic properties that differ from their parent aromatics. Metal incorporation to aromatics allows access to a versatile range of optical and electronic properties via the modulation of their band gaps. Here, we investigate the binding of four fourth-row transition metals (titanium, chromium, iron, and nickel) with four aromatic molecules (benzene, naphthalene, pyrene, and coronene), and the HOMO-LUMO energy gap of the metal-aromatic complexes using density functional theory calculations. Neutral and cationic (1+ and 2+) complexes are studied at different geometrical and spin configurations, and their binding energies and HOMO-LUMO gaps are computed for the ground state. It is observed that binding with metals can reduce the HOMO-LUMO gap of the aromatics significantly, and the gap energy of the metal-aromatic complexes is closely correlated with their ionization energy. The number of possible transitions from occupied to unoccupied molecular orbitals was also calculated, showing similar spectral energy features for naphthalene, pyrene, and coronene with and without metal incorporation.

TAXONOMIC COMPOSITION, BIO-ECOLOGICAL PROPERTIES, ORNAMENTAL QUALITIES AND PROSPECTS OF ECONOMIC USE OF THE COLLECTION OF ANNUALS OF THE BOTANICAL GARDEN OF BILA TSERKVA NATIONAL AGRARIAN UNIVERSITY

The article highlighted the results of the analysis of collection of annual flowering-and-ornamental plants in the Botanical Garden of Bila Tserkva National Agrarian University. It was found that the collection of annuals included 76 species and 267 varieties belonging to 61 genera and 27 families. The largest number of species was represented by the families Asteraceae – 25 and Amaranthaceae – 6 species. Callistephus chinensis (L.) Ness. species containing 171 varieties belonging to three classes, 10 types and 44 varietal types and Tagetes L. genus including three species and 42 varieties were distinguished by varietal diversity. The taxonomic composition of the collection of annual flowering-and-ornamental plants was analyzed and it was established that 53% belonged to beautiful flowering plants, 21% to leafy ornamental plants, 10% to fragrant plants, 7% to dried flowers, 5% to climbing plants, 4% to ground cover species. It was established that all species and varieties of the collection differed in origin, height of shoots, nature of branching. According to the methods of cultivation, 78,3% of the species and varieties of the collection were suitable for sowing in open ground, and only 21,7% required a seedling method of cultivation. Analysis of flowering dates showed that 22,5% of the species and varieties of the collection began flowering 8-9 weeks after sowing, 52,3% – after 10-12 weeks and 25,2% – after 13-14 weeks after sowing seeds. Ornamental qualities of annuals, in particular, growth forms and height of plants, color palette of flowers and inflorescences, terry forms of flowers, their aromatic properties, variety of shapes and sizes of leaves, long and abundant flowering and resistance to the conditions of urboecosystems allowed to widely introduce annual flower plants into urban landscaping, in particular, in geometric flower beds, mixed borders, rabatka, borders, solitaires, groups, Moorish lawns, parterre flower beds and to create monoculture gardens.

Использование пептидов шпротного вторичного сырья в производстве соусной продукции

The relevance of the topic is justified by the demand for fish sauce products of increased nutritional value, the underutilization of the biopotential of sprat waste and sea buckthorn growing in the Kaliningrad region. The chemical composition, amino acid composition of proteins of the peptide and protein-mineral additives, made by the method of high-temperature hydrolysis from the heads of smoked sprats, was studied. The high biological activity and digestibility of the peptide sprat additive is shown. Using the method of mathematical planning of the experiment, a mathematical model was obtained that reflects an adequate relationship between the organoleptic assessment of the sauce and the content of the main components. On the basis of this model, the optimal dosages of the peptide additive and rye flour were established, which determine the desired taste, aromatic and structural properties of the sauce. The formulation and technology of four types of original sauce products with the use of sprat peptide additive, rye flour, cream and sea buckthorn oil have been developed. The formulation and technology of four types of original sauce products with the use of sprat peptide additive, rye flour, cream and sea buckthorn oil have been developed. The organoleptic quality indicators of the resulting sauces with and without the addition of sea buckthorn oil have been established. The general chemical composition of sauce products was studied, indicating its balance in terms of the content of proteins, fats and carbohydrates. A high content of carotenoids in sauces with sea buckthorn additives and their functionality in terms of beta-carotene content have been established. The general chemical composition of sauce products was studied, indicating its balance in terms of the content of proteins, fats and carbohydrates. A high content of carotenoids in sauces with sea buckthorn additives and their functionality in terms of beta-carotene content have been established.

Current approaches on the roles of lactic acid bacteria in crop silage.

Lactic acid bacteria (LAB) play pivotal roles in the preservation and fermentation of forage crops in spontaneous or inoculated silages. Highlights of silage LAB over the past decades include the discovery of the roles of LAB in silage bacterial communities and metabolism and the exploration of functional properties. The present article reviews published literature on the effects of LAB on the succession, structure, and functions of silage microbial communities involved in fermentation. Furthermore, the utility of functional LAB in silage preparation including feruloyl esterase-producing LAB, antimicrobial LAB, lactic acid bacteria with high antioxidant potential, pesticide-degrading LAB, lactic acid bacteria producing 1,2-propanediol, and low-temperature-tolerant LAB have been described. Compared with conventional LAB, functional LAB produce different effects; specifically, they positively affect animal performance, health, and product quality, among others. In addition, the metabolic profiles of ensiled forages show that plentiful probiotic metabolites with but not limited to antimicrobial, antioxidant, aromatic, and anti-inflammatory properties are observed in silage. Collectively, the current knowledge on the roles of LAB in crop silage indicates there are great opportunities to develop silage not only as a fermented feed but also as a vehicle of delivery of probiotic substances for animal health and welfare in the future.

Synthesis of Chrysoporphyrins and a Related Benzopyrene-Fused System.

Reaction of 6-nitrochrysene with ethyl isocyanoacetate in the presence of a non-nucleophilic base gave a c-annulated pyrrole ethyl ester that was used to prepare chrysene-fused tripyrranes and a chrysopyrrole dialdehyde. Chrysene-fused tripyrranes were reacted with a pyrrole dialdehyde, but poor yields of chrysoporphyrins were obtained. However, condensation of the chrysopyrrole dialdehyde with a series of tripyrranes afforded excellent yields of chrysoporphyrins and an acenaphtho-chrysoporphyrin. Iron(III) chloride mediated oxidative cyclization of a dihexylchrysoporphyrin afforded a benzopyrene-fused porphyrin that exhibited a strongly red-shifted electronic absorption spectrum. DFT calculations show that both chrysoporphyrins and the benzopyrene-fused porphyrin have tautomers that possess 34π electron delocalization pathways that pass through the porphyrin nucleus and the fused polycyclic aromatic hydrocarbon (PAH) units. Protonation gave dications that favor 36-atom 34π electron circuits. c-Annulated pyrrole dialdehydes were also condensed with a carbatripyrrin to generate PAH-fused carbaporphyrins that retained fully aromatic properties.

Application of the descriptor-profile method for evaluating gluten-free biscuits to achieve food safety goals

The program for the development of sustainable food systems is aimed primarily at providing the population with affordable, safe and nutritious foods. Improvement in quality can be achieved by gradually reformulating food products, increasing their nutritional value through the use of healthy ingredients. The most preferred methods for assessing the organoleptic properties of gluten-free biscuits have been identified. The article identifies the most preferred methods for assessing the organoleptic properties of gluten-free biscuits. A descriptor-profile method was used to evaluate the organoleptic properties for the developed biscuit recipes. Recipes of flour confectionery products - gluten-free biscuits have been developed: sample No. 1 contains oat flour, corn flour, corn starch and chickpea flour mixed with mineral sparkling water and sweetener; sample No. 2 contains oat flour, corn, sweetener and chickpea flour mixed with sparkling mineral water. The descriptors that most fully evaluate the flavour and aromatic properties (wheat, oat, corn, chickpea, egg) of classic and gluten-free biscuits have been identified. A scale of evaluation of the complex indicator of organoleptic properties of gluten-free biscuits has been formed, taking into account the weight of the criteria. An expert assessment of organoleptic quality indicators (shape, cross-sectional view, surface, taste and smell) was carried out taking into account the weight of the criteria. The developed samples for these indicators were compared with a biscuit sample developed according to the classical recipe. The sample with the highest total value in terms of organoleptic quality indicators in relative units has been identified. As a result of the tasting, using the descriptor-profile method, the taste characteristics of gluten-free biscuits were evaluated. To visualise the taste characteristics of the studied samples, a profilogram was constructed. It was revealed that the sample of biscuit No. 2 is more balanced in terms of taste and aromatic properties.

Influence of rootstock, fruit development stage and ploidy level on the yield, composition and aromatic properties of sweet orange peel essential oil

ISHS XXXI International Horticultural Congress (IHC2022): International Symposium on Integrative Approaches to Product Quality in Fruits and Vegetables Influence of rootstock, fruit development stage and ploidy level on the yield, composition and aromatic properties of sweet orange peel essential oil

Apiculture in Hittite cuneiform texts

The Hittite cuneiform texts dated to the 2nd millennium BCE contain some of the earliest information about the production of honey as an economic product and its consumption in daily life, as well as the theological perception of honey bees. Thanks to the information obtained from the texts, the material and spiritual role of apiculture have been tried to be revealed in this paper. According to laws, honey is a commercial product and is traded at a value. In addition, apiculture is a profession made with expert knowledge and the right of ownership of the honey bee colony and hive associated with this profession is legally protected. In the texts giving information about culinary knowledge, honey is added to bread as a sweetening product and used in the production of various sauces and some beverages. The aromatic properties of honey are also known. In this context, it is included in the mixtures used for incense in rituals. Also in rituals, some of its qualities were used in analogical spells. In mythological/religious texts, the honey bee is a creature that brings abundance and fertility in spring. In this context, it plays an important role in myths of finding the Disappearing Gods, the symbol of fertility. At the same time, it represents fertility, peace, and reconciliation as a creature associated with the Sun Goddess of the Earth, another symbol of fertility.

Physiological and chemical changes induced by transparent polythene + green net shed on Pelargonium graveolens L. mother plants during monsoon season

Pelargonium graveolens L. or rose scented geranium is an essential oil-bearing plant with extended economic value. It has strong pharmacological and aromatic properties along with its frequent application in perfumery, food, cosmetics, and pharma industries. Seasonal fluctuations in northern India have a detrimental effect on the survival of P. graveolens. Due to its male sterility, the plant is unable to propagate by sexual reproduction, so, vegetative propagation is the only option to grow and protect the mother plant for the next season. To protect the plant in adverse conditions our researchers had developed a protective shed i.e. transparent polythene + green net shed (S) but the reason for the increased survival and growth of the plant in the shed was not well understood. In the present research, approximately 91% of P. graveolens mother plants were protected under the shed compared to open conditions (O). The current study also reported high humidity, increased air temperature and increased microbial infection in open condition, exerting various physiological and chemical changes which further have detrimental effects on plant growth and survival. In shed conditions, a decreased level of antioxidant enzymes, antioxidant metabolites, and elevated level of photosynthetic pigments were observed. Further, an increased density of glandular and non-glandular trichomes and an improved quality and quantity of essential oil were observed in shed conditions. Considering the above observations, polythene + green net shed can be used as an auspicious approach for protecting the P. graveolens mother plant in monsoon season due to its effect on soil moisture, soil microbial biomass carbon (SMBC), trichome morphology/density and yield of essential oil.

Variability in the Essential Oil Composition of Achillea erba-rotta subsp. moschata (Wulfen) I. Richardson Growing in the Eastern Italian Alps.

Achillea erba-rotta subsp. moschata (Wulfen) I. Richardson is endemic of the Central Alps and distributed in several Italian Regions, where is used for its medicinal and aromatic properties. Nine wild populations of the species were characterized for their essential oil content and composition. In total 45 components were detected of which 40 were identified, accounting from 96.3 % to 98.8 % of the total oil. Monoterpenes represented the main class of compounds (from 84 % to 90.9 %), being cis-thujone (from 1.1 % to 48.4 %), camphor (from 1.8 % to 36.9 %), 1,8-cineole (from 4.9 % to 23.4 %), trans-thujone (from 2.2 % to 33.9 %) and p-cymene (from 1.8 % to 4.8 %) the most abundant ones. The relative amount of chamazulene, detected in some accessions, was here reported for the first time in this species. High variability in the essential oil composition resulted among the investigated accessions, which were grouped by multivariate analysis into four main clusters, in some cases according to their site of origin. Beyond their possible chemo-systematic significance, the obtained results represent useful indications for the selection of interesting chemotypes within the species, especially in the perspective of its future cultivation.