Two new coordination compounds of Mn(II) and Cu(II) viz. [Mn(bz)2(Hdmpz)2(H2O)] (1) and [Cu(crot)2(Hdmpz)2] (2) (where, bz = benzoate, crot = crotonate, Hdmpz = 3, 5-dimethyl pyrazole) have been synthesized and characterized using single crystal X-ray diffraction technique, FT-IR, electronic spectroscopy, TGA and elemental analyses. Compounds 1 and 2 crystallize as mono-nuclear coordination compounds of Hdmpz based penta-coordinated Mn(II) and hexa-coordinated Cu(II) respectively containing distorted trigonal bipyramidal and distorted octahedral geome-tries. Crystal structure analysis of compound 1 reveals the presence C‒H⋯π and π-stacking in-teractions along with O‒H⋯O, N‒H⋯O and C‒H⋯O H-bonding interactions which stabilizes the layered assembly of the compound. Similarly, the presence of hydrogen bonding along with π-stacking interactions stabilizes the crystal structure of compound 2. We have carried out theo-retical investigations to analyze π⋯π H-bonding and antiparallel CH···π non-covalent interac-tions observed in the compounds. DFT calculations were performed to evaluate strength of these interactions energetically. Moreover, QTAIM and non-covalent interaction (NCI) plot index computational tool were used to characterize them and evaluate the contribution of the H-bonds.

In spite of unique structural, spectroscopic and redox properties, the synthetic variants of the planar, antiaromatic hexaphyrin (1.0.1.0.1.0) derivatives 2, has been limited due to the low yields and difficulty in access to the starting material. A chemical modification of the meso-substituents could be good alternative overcoming the synthetic barrier. Herein, we report a regio-selective nucleophilic aromatic substitution (SNAr) of meso-pentafluorophenyl group in rosarrin 2 with catechol. The reaction afforded benzodioxane fused rosarrin 3 as single product with high yield. The intrinsic antiaromatic character of the starting rosarrin 2 retained throughout the reactions. Clean, two electron reduction was achieved by treatment of 3 with SnCl2•2H2O affording 26pi-electron aromatic rosarrin 4. The synthesized compounds exhibited noticeable changes in photophysical and redox properties compared with starting rosarrin 2. .

PM2.5 and PM>2.5 were separately collected in Kanazawa, Japan in every season from the spring of 2017 to the winter of 2018, and nine polycyclic aromatic hydrocarbons (PAHs) and six nitropolycyclic aromatic hydrocarbons (NPAHs) were determined by HPLC with fluorescence and chemiluminescence detections, respectively. Atmospheric concentrations of both PAHs and NPAHs showed seasonal changes (highest in the winter and lowest in the summer), which were different from the variations of TSP and PM2.5 (highest in the spring). Contributions of major sources to combustion-derived particulate (Pc) in PM2.5 were calculated by the NP-method using pyrene and 1-nitropyrene as representative markers of PAHs and NPAHs, respectively. The annual average concentration of Pc accounted for only 2.1% of PM2.5, but showed the same seasonal variation as PAHs. The sources of Pc were automobiles (31%) and coal heating facilities/industries (69%). The source of Pyr was almost entirely coal heating facilities/industries (98%). A backward trajectory analysis showed that automobile-derived Pc was mainly from Kanazawa and its surroundings and that coal heating facilities-derived Pc was transported from city areas in central and northern China in the winter and during the Asian dust event in the spring. These results show that large amounts of PAHs were long-range transported from China in the winter. Even in spring when the coal heating season was over in China, PAHs came over to Japan after Asian dust storms passed through Chinese city areas. The main contributor of NPAHs was automobiles in Kanazawa and its surroundings. The recent Pc concentrations were much lower than those in 1999. This decrease was mostly attributed to the decrease in the contribution of automobiles. Thus, changes of atmospheric concentrations of Pc, PAHs and NPAHs in Kanazawa were strongly affected not only by the local emissions but also long-range transport from China.

Treatment of the non-purified mixture of dinitro isomers obtained from the nitration of 1,4-dimethoxybenzene with piperidine, led to the isolation of novel but minor adduct, 1-(2,5-dimethoxy-4-nitrophenyl)piperidine (2b) in 15% yield. Yields of nucleophilic aromatic substitution adducts are high when using purified 1,4-dimethoxy-2,5-dinitrobenzene (1b) with piperidine and pyrrolidine to give 2b and 1-(2,5-dimethoxy-4-nitrophenyl)pyrrolidine (3b) in 76% and 82%, respectively.

One hundred and twenty (120) fingerlings of Clarias gariepinus (mean weight: 0.96 ± 0.1g) were randomly exposed to 4 experimental treatments of petroleum, based on LC₅₀ values (6.4mg/L of crude oil, 8.7mg/L of petrol, 8.0mg/L of kerosene and 7.8mg/L of diesel oil) and replicated thrice, to determine polycyclic aromatic hydrocarbons (PAH) in exposed fish for 96 h. There was no significant difference (P > 0.05) in total (PAHs) between crude oil (97.1 ng/uL) and diesel (97.2 ng/uL) exposed fish and also between petrol (53.2 ng/uL) and kerosene (49.6 ng/uL) exposed fish, but there was a significant difference (P < 0.05) in PAH levels of the crude oil/diesel exposed -groups of fish compared to petrol/kerosene exposed -groups of fish (97.1/97.2 and 53.2/49.6 ng/uL). Naphthalene correlated positively to benzo a anthracene (r=0.672, (P < 0.05), benzo b fluoranthene (r=0.681, P < 0.05) and chrysene (r=0.615, P < 0.05) but did not correlate to fluorene. Benzo a anthracene correlated positively to benzo a pyrene (r=0.578, P < 0.05), phenathrene (r=0.685, P < 0.05) but did not correlate to acenaphthene. Fluorene correlated positively to benzo a pyrene (r=0.695, P < 0.05) but did not correlate to chrysene. Chrysene correlated positively to dibenzo a,h, pyrene (r=0.658, P < 0.05) to phenathrene and benzo b fluoranthene (r=0.659, P< 0.05). Indeno 123 cd- pyrene and fluranthene however did not correlate to other PAHs except naphthanene, acenaphthene and acenaphthylene. The level of PAH in fish may translate to the toxicity effect since crude oil and diesel with lower LC₅₀ (6.4 and 7.8 mg/L) deposited greater PAH than kerosene and petrol with higher LC₅₀ (8.7 and 8.0 mg/L) in fingerlings of C. gariepinus. High risk to cancer disorders may occur in exposed fish to petroleum with high incidence of fluorene , anthracene, pyrene and benz a anthracene which correlated positively to benzo a pyrene which provide some basis for predicting impact of oil spills on fingerling population.

5-Methyl-3,8-di-(2-amino-4-bromophenyl)-4,9-dioxa-1,2,6,7-tetraaza-5λ5-phosphaspiro[4.4]nona-2,7-diene was obtained in a condensation reaction of 2-amino-5-bromobenzohydrazide and methylphosphonyl dichloride in the presence of triethylamine. An initial biological screening was performed for the obtained product. The synthesized compound possesses two aromatic primary amine groups and two bromine atoms within the structure, which are suitable for further structural modifications.

A set of aromatic copolyimides was obtained by reaction of 4,4′-(hexafluoroisopropylidene) diphthalic anhydride (6FDA), and mixtures of the diamines 1,4-bis(4-amino-2-trifluoromethylphenoxy)-2,5-di-tert-butylbenzene (CF3TBAPB) and 3,5-diamino benzoic acid (DABA). These polymers were characterized and compared with the homopolymer derived from 6FDA and CF3TBAPB. All copolyimides showed high molecular weight values and good mechanical properties. The presence of carboxylic groups in these copolymers allowed their cross-linking by reaction with 1,4-butanediol. The crosslinked polymer films were extensively characterized and it was observed that the degree of crosslinking was low in the copolyimides possessing a small number of carboxyl groups. The degradation temperature of these crosslinked copolyimides was lower than their corresponding non-crosslinked ones. Glass transition temperatures were higher than 260 oC, showing the non-crosslinked copolyimides the highest values. Young moduli of these crosslinked showed values higher than 1.9 GPa, and slightly lower elongation at break when compared with the precursor copolyimides. All copolyimides (precursor, and crosslinked ones) films could be tested as gas separation membranes. It was seen that CO2 permeability values were around 100 barrer, having better selectivity than that of the homopolymer. Moreover, the plasticization resistance of the crosslinked material having a large number of carboxylic groups was excellent.

Nucleophilic aromatic substitution (SNAr) reactions can provide metal-free access to synthesize mono-substituted aromatic compounds. We have developed efficient SNAr conditions for p-selective substitution of polyfluoroarenes with phenothiazine in the presence of a mild base to afford the corresponding 10-phenylphenothiazine (PTH) derivatives. The resulting polyfluoroarene-bearing PTH derivatives were subjected to a second SNAr reaction to generate highly functionalized PTH derivatives with potential applicability as photocatalysts for the reduction of carbon–halogen bonds.

A prime site of astrobiological interest within the Solar System is the interior ocean of Enceladus. This ocean has already been shown to contain organic molecules, and is thought to have the conditions necessary for more complex organic biomolecules to emerge and potentially even life itself. This sub-surface ocean has been accessed by Cassini, an unmanned spacecraft that interacted with the water plumes ejected naturally from Enceladus. The encounter speed with these plumes and their contents, was between 5 and 15 km s⁻¹. Encounters at such speeds allow analysis of vapourised material from submicron-sized particles within the plume, but sampling micron-sized particles remains an open question. The latter particles can impact metal targets exposed on the exterior of future spacecraft, producing impact craters lined with impactor residue, which can then be analysed. Although there is considerable literature on how mineral grains behave in such high-speed impacts, and also on the relationship between the crater residue and the original grain composition, far less is known regarding the behaviour of organic particles. Here we consider a deceptively simple yet fundamental scientific question: for impacts at speeds of around 5–6 kms⁻¹ would the impactor residue alone be sufficient to enable us to recognise the signature conferred by organic particles? Furthermore, would it be possible to identify the organic molecules involved, or at least distinguish between aromatic and aliphatic chemical structures? For polystyrene (aromatic-rich) and poly(methyl methacrylate) (solely aliphatic) latex particles impinging at around 5 km s⁻¹ onto metal targets, we find that sufficient residue is retained at the impact site to permit identification of a carbon-rich projectile, but not of the particular molecules involved, nor is it currently possible to discriminate between aromatic-rich and solely aliphatic particles. This suggests that an alternative analytical method to simple impacts on metal targets is required to enable successful collection of organic samples in a fly-by Enceladus mission, or, alternatively, a lower encounter speed is required.

Neurodegenerative diseases (NDDs) are a class of cognitive and motor disorders that include Alzheimer’s disease (AD), Parkinson’s disease (PD), Huntington's disease (HD), amyotrophic lateral sclerosis (ALS), and others. They are caused by lesions in cells and tissues of the central nervous system, resulting in corresponding dysfunctions and consequent decline in cognitive and motor functions. Neural tissues are extremely vulnerable to oxidative stress, which plays critical biological roles in NDDs. Aromatic compounds are found extensively in natural plants and have substantial effects of anti-oxidative stress damage, which not only have a wide range of research applications in cosmetics, foods, etc., but are also frequently utilized in the treatment of various central nervous system diseases. This review summarizes the relevant oxidative stress mechanisms in NDDs (AD, PD, HD, and ALS) and reviews aromatic compounds such as polyphenols, terpenoids, and flavonoids that can be used in the management of neurodegenerative diseases, as well as their specific mechanisms of antioxidant action. This review will serve as a reference for future experimental studies on neurodegenerative illnesses while also offering fresh insights into clinical therapy.

Asian dust (AD) events and total suspended particle (TSP) was observed at Kanazawa University Wajima Air Monitoring Station (KUWAMS), a Japanese background site, during the East Asian winter monsoon periods (from November to May of the following year) from 2010 to 2021. Nine kinds of polycyclic aromatic hydrocarbons (PAHs) were determined in each TSP sample. In this study, a total of 54 AD events were observed. According to the different pathways of long-range transportation, AD events were divided into AD-high (transported at higher altitude, around 4000 m) and AD-low (transported at lower altitude, around 2500 m). The TSP concentrations in-creased sharply in the AD and was higher in AD-high (39.8 ± 19.5 μg/m³) than that in AD-low (23.5 ± 10.5 μg/m³). While AD didn’t have significant effect on ΣPAHs characteristic variation, as ΣPAHs concentration in non-AD periods, AD-high, AD-low were 543 ± 374, 404 ± 221, 436 ± 265 pg/m³, respectively. PAHs compositions were also consistent. As a result, TSP concentration was affected by the input air mass transported at higher altitude from the desert region while PAHs concentration was under the impact of air mass at lower altitude which carried the PAHs emitted from fossil fuels and biomass combustion in northeastern China. Moreover, the health risks of PAHs were calculated by inhalation lifetime cancer risk which ranged from 10−6 to 10−5 ng/m3, in-dicating a potential carcinogenic risk at KUWAMS during the East Asian winter monsoon period.

Aromatic azo compounds have -N=N- double bonds as well as larger π electron conjugation system, which endows aromatic azo compounds with wide applications in the fields of functional materials. The properties of aromatic azo compounds are closely related to the substituents on their aromatic rings. However, traditional synthesis methods, such as the coupling of diazo salts, have a great limitation on the structural design of aromatic azo compounds. Therefore, many scientists have devoted their efforts to developing new synthetic methods. Moreover, recent advances in the synthesis of aromatic azo compounds led to the improvement of design and preparation of light-response materials at molecular level. This review summarizes the important synthetic progress of aromatic azo compounds in recent years, with an emphasis on the pioneering contribution of functional nanomaterials in the field.

Gall-inducing insects often contain high concentrations of phytohormones, such as auxin and cytokinin, which are suggested to be involved in gall induction, but no conclusive evidence has been obtained. There are two possible approaches to investigating the importance of phytohormones in gall induction: demonstrating either that high phytohormone productivity can induce gall-inducing ability in non-gall-inducing insects, or that gall-inducing ability is inhibited when phytohormone productivity in galling insects is suppressed. In this study, we show that the overexpression of PonAAS2, which encodes an aromatic aldehyde synthase (AAS) responsible for the rate-limiting step in indoleacetic acid (IAA) biosynthesis in a galling sawfly (Pontania sp.) that contains high levels of endogenous IAA, conferred high IAA productivity on Caenorhabditis elegans, as the model system. This result strongly suggests that PonAAS2 can also confer high IAA productivity on low-IAA-producing insects. We also successfully identified an inhibitor of PonAAS2 in a chemical library. This highly selective inhibitor showed stronger inhibitory activity against AAS than against aromatic amino acid decarboxylase, which belongs to the same superfamily as AAS. We also confirm that this inhibitor clearly inhibited IAA productivity in the high-IAA-producing C. elegans engineered here.

The amino acid composition of the active site in an enzyme is influential on its substrate selectivity. For CYP2E1, the role of PHE residues in the formation of effective orientations for its activity toward aromatic substrates remains unclear. In this study, molecular docking and molecular dynamics analysis were performed toward the interactions between PHEs in the active site of human CYP2E1 and various aromatic compounds as confirmed CYP2E1 substrates. The results indicated that the orientation of 1-methylpyrene (1-MP) in the active site was highly modulated by the PHEs, PHE478 contributing to the binding free energy most significantly. Furthermore, by building a random forest model the relationship between each of 19 molecular descriptors of PCB congeners (from molecular docking, quantum mechanics, and physicochemical properties) and established human CYP2E1-dependent mutagenicity of a series of polychlorinated biphenyls (PCBs), which have been proven to be human carcinogens and endocrinal disrupters, was investigated. The presence of PHEs did not appear to significantly modify the electronic or structural feature of each bound ligand (PCB), instead, the flexibility of the molecular conformation of PHEs contributed substantially to the effective binding energy and orientation. It is supposed that PHE residues adjust their own conformation to permit a suitable space for the ligand binding and form an orientation favorable for a biochemical reaction. This study has provided some insights into the role of PHEs in guiding the interactive adaptation of the active site of human CYP2E1 for the binding and metabolism of aromatic substrates.

Salinity is abiotic stress, which causes adverse environmental conditions for rice cultivation. In particular, local aromatic rice cultivation is heavily influenced by soil salinity stress, which has an impact on global food security. This study aimed to screen local aromatic rice genotypes in a hydroponics experiment using Yoshida solutions to evaluate the effect of increasing NaCl concentrations on the early growth stages of rice seedlings. Genetic diversity along with phylogenetic relationship was assessed using the random amplified polymorphic DNA (RAPD) markers. Out of 20 RAPD markers, 17 markers produced reproducible polymorphic bands. Individuals of all genotypes shared 88 (89.80%) of the 98 total RAPD elements amplified. The genetic distance-focused similarity index ranged from 0.05 to 0.94. The highest genetic distance (0.94) was discovered between genotypes Nayanmoni and Kalijira Barisal, and the lowest was between Badshabhog and Kataribhog (0.05). In addition, the OPS 3(510bp) and OPA 14(1100bp) markers could be used to identify salt-tolerant genotypes. According to genetic distance, the salt stress tolerant check genotype, Pokkali was genetically related to Chinigura as well as Kalijira Barisal. This study established a simple and consistent method for evaluating variability across various aromatic rice genotypes, which will benefit in genotype selection for breeding salinity stress tolerant aromatic rice varieties in Bangladesh.

In September 2021, the European Chemicals Agency evaluated a dossier for restricting polycyclic aromatic hydrocarbons (PAHs) in infant diapers and concluded that risks were not demonstrat-ed because of inconclusive exposure data. To fill this gap, we measured the 16 priority PAHs of the U.S. Environmental Protection Agency in the diaper core of four brands and in the sheets and fastening tapes of six brands of commercially available diapers. Health risks were conservatively assessed by assuming that dermally absorbed PAHs can cause both local (skin cancer) and sys-temic critical effects (neurobehavioral changes). Total concentrations of PAHs in diaper core and top sheet, the only significant contributors to skin exposure, averaged 34.5 μg/kg and 66.8 μg/kg, respectively. Excess skin cancer risks and hazard quotients for neurobehavioral effects calculated with the daily dose of total PAHs from combined diaper core and top sheet averaged 1.4 x 10-7 and 1.19 x 10-2, respectively. The median daily dose of total PAHs and of its ben-zo[a]pyrene-equivalent from breast milk estimated worldwide are 171 and 30 times greater than that from combined diaper core and top sheet, respectively. Altogether these findings indicate that trace levels of PAHs found in infant diapers are unlikely to pose health risks.

An efficient procedure for the synthesis of polyhydroxyl aromatic compounds (phloroglucide analogs) is described. In this procedure a reaction was done between different 4-substituted phenols and 2,6-bis(hydroxymethy) phenols. The reactions proceed in the presence of catalytic amount of silica gel supported boric tri-sulfuric anhydride (SiO2-BTSA) in excellent yields. 16 compounds were synthesized (I1-I16). Chemical structures of all compounds were confirmed by spectroscopic methods. We optimized the chemical reactions in the presence of different acidic catalysts, different solvents and also different temperatures. Catalytic amounts of SiO2-BTSA in dichloroethane (DCE) was the best conditions. Some of the synthesized compounds were screened for their antimicrobial activities. Antifungal and antibacterial activities of the synthesized compounds were evaluated by broth micro dilution method as recommended by CLSI. Some of the tested compounds show good in vitro biological properties.

The research objectives of this study are to analyse the volatile compositions of different basil types available in Thai markets and to descriptively determine their aromatic qualities. Essential oils were hydro-distillated from fresh leaves of 2 Holy basil (Ocimum sanctum) varieties namely, white and red and other basil species, including Tree basil (O. gratissimum), Sweet basil (O. basilicum var. thyrsiflorum) and Lemon basil (O. citriodorum). Oil physicochemical characteristics and volatile chromatograms from Gas Chromatography-Mass Spectrometry (GC-MS) were used to qualitatively and quantitatively describe the chemical compositions. Methyl eugenol, estragole and eugenol were among the major chemicals found in the essential oils of these basil types. Classification by Principal Component Analysis (PCA) advised that these Ocimum spp. samples are grouped based on either the distinctive anise, citrus aroma (estragole, geranial and neral) or spice-like aroma (β-methyl eugenol, caryophyllene and α-cubebene). The essential oil was also used for descriptive sensorial determination by five trained panelists, using the following developed terms: anisic, citrus, herb, spice, sweet and woody. The panelists were able to differentiate essential oil of white Holy basil from red Holy basil based on the intensity of the anisic attribute, while the anise and citrus scents were detected as dominant in the Lemon basil, Tree basil and Sweet basil essential oils. The overall benefit from this research was the elucidation of aromatic qualities from Thai common Ocimum species in order to assess their potential as the raw materials for future food research and development.

An improved synthesis of glucosyl esters was reported here, avoiding the use of expensive Ag reagent as well as the hydrolysis of instable glucosyl bromide. Notably, ß-configuration product was exclusively obtained in good yield.

The antioxidant properties and polyphenol content of some selected aromatic plants grown in Greece were studied. Plants were refluxed with 60% methanol after acid hydrolysis. The phenolic substances were quantified by HPLC-DAD. The antioxidant capacity of the extracts was determined with the Rancimat test using sunflower oil as substrate. Free radical scavenging activity was measured using the stable free radical 1, 1-diphenyl-2-picrylhydrazyl (DPPH). Results were compared with standard BHT and ascorbic acid. Total phenol concentration of the extracts was estimated with Folin-Ciocalteu reagent using gallic acid as standard.

Recent findings indicate that human microbiota can excrete trace amines, dopamine, and serotonin. These neurotransmitters (NTs) can either affect classical neurotransmitter signaling or directly trigger trace amine-associated receptors (TAARs), with still unclear consequences for host physiology. Compared to gut microbiota, less information is available on the role of skin microbiota in NT production. To explore this, 1909 skin isolates, mainly from the genera Staphylococcus, Bacillus, and Corynebacterium, were tested for NT production. Only 6.7% of the isolates were capable of producing NTs, all of which belonged to the Staphylococcus genus. Based on substrate specificity, we identified two distinct profiles among the NT producers. One group primarily produced tryptamine (TRY) and phenylethylamine (PEA), while the other mainly produced tyramine (TYM) and dopamine (Dopa). These differing production profiles could be attributed to the activity of two distinct aromatic amino acid decarboxylase enzymes, SadA and TDC, responsible for generating the TRY/PEA and TYM/Dopa product spectra, respectively. SadA and TDC orthologues differ in structure and size; SadA has approximately 475 amino acids, whereas the TDC-type consists of about 620 amino acids. The genomic localization of the respective genes also varies: tdc genes are typically found in small, conserved gene clusters, while sadA genes are not. Heterologous expression of sadA and tdc in Escherichia coli yielded the same product spectrum as the parent strains. The possible effects of skin microbiota-derived NTs on neuroreceptor signaling in the human host remain to be investigated.

Acid promoted amination of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine with anilines have been studied using hydrochloric acid. Four alcoholic solvents and water were evaluated as reaction medium, and the highest rate was observed in water. Although the initial rate increased by using higher concentration of acid, this leads to more solvolysis of the pyrrolopyrimidine, reducing the potential yield. The substrate scope of the amination of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine in water using 0.1 equivalent of hydrochloric acid was evaluated using 20 aniline derivatives with variance in basicity and steric bulk. Preparative useful reactions were seen for 14 of the 20 derivatives. Unsuited anilines are ortho substituted anilines with a pKa below 1. Aliphatic and benzylic amines react poorly under these conditions, but such aminations can proceed well in water without acid. Pyrrolopyrimidines with a low water solubility, also reacted slowly in water, however they could easily be aminated in 2-propanol.

Plants have the ability to decrease the pollution level from the environment by absorbing inorganic/organic pollutants through their roots. After that, these pollutants are translocated or accumulated in less toxic forms in various parts of plants. This ability of plants is known as phytoremediation. It is an eco-friendly, and cost-effective approach for controlling environmental pollution. It can provide a sustainable way to improve the economics of developing countries. However, the biomass formed during this process can re-contaminate the environment through secondary pollutants. The contamination due to heavy metals (HMs) has become an environmental challenge globally. Metals such as cadmium (Cd), chromium (Cr), mercury (Hg), arsenic (As), nickel (Ni), lead (Pb), etc. can enter the water and soil largely through anthropogenic activities as well as other natural processes. After that, these metals pose a severe threat to living organisms. Due to their non-biodegradable nature, these metals can remain as such for a long time. These metals can initiate oxidative pressure in plants as a result affects agricultural production and yield. To mitigate this problem, phytoremediation has come forward as a safe, affordable, and ecologically sustainable solution than conventional physicochemical decontamination methods. Initially, several edible crops had been identified for the remediation. But at the present time, scientists are focusing on non-edible crops like aromatic/medicinal plants. There is no risk of food contamination by using these plants. This chapter describes the classification & uses of Tulsi and the phytoremediation mechanism of plants in detail.

Rojolele is an Indonesian traditional rice variety from Klaten (Central Java) that classified as tropical japonica and low land rice which become a premium rice variety and have higher price in the market due to a delicious taste and a fragrance aroma. The agronomic characteristics of Rojolele are having high plant stature with sturdy stems and upright plant shape, thick and rough leaves, strong and deeper root systems, long panicle length, and long duration of life. Rojolele rice cultivation is facing important challenges from drought, diseases, long duration, and lodging. Thus, breeding Rojolele cultivars with resistance to drought, diseases, lodging, and short duration is the major focus for Rojolele rice improvement. Indonesian farmer have learned to successfully cultivate Rojolele by applying practical skills, leading to increase the rice productivity. Molecular breeding program, including quantitative trait loci (QTL), genome-wide association study (GWAS), genomic selection, and genome editing can be applied to improve Rojolele characteristics. In this review, important agronomic and quality traits, intensification system for irrigation and pest control, mutation breeding, transgenic lines, and also future perspectives for Rojolele research were presented. Rojolele is useful for rice breeding program in order to guarantee the food security to overcome increasing population and climate change.

This field study aimed to assess the base line conditions of a long-term polluted shooting range in Argentina polluted with 428 mg kg-1 lead (Pb), to evaluate the establishment and development of Helianthus petiolaris plants and address the efficacy of the phytomanagement strategy through: i) element accumulation in plant tissues; ii) rhizosphere bacterial diversity changes by Illumina Miseq™ and iii) floral water and essential oil yield, composition and element concentration by GC-MS and ICP. After one life cycle growing in the polluted sites, in the roots of Helianthus petiolaris plants Pb concentration was between 195 and 304 mg kg-1 Pb. Only a limited fraction of the Pb was translocated to the aerial parts. The predominance of the genus Serratia in the rhizosphere of Helianthus petiolaris plants cultivated in the polluted sites and the decrees of the essential oil yield were some effects significantly associated with soil Pb concentration. No detectable Pb concentration was found in the floral water and essential oil obtained. Extractable Pb concentration in the soil reduced between 28-45 % after the harvest.

We examined the effects of different malolactic bacteria fermentation techniques, including a spontaneous process – a variant with a high risk of undesirable metabolites – on the bioconversion of aromatic compounds in cool-climate grape wines. During three wine seasons, red and white grape wines were produced by three different methods of malolactic fermentation induction: coinoculation, sequential inoculation, and spontaneous malolactic fermentation. Volatiles (diacetyl and the products of its metabolism, as well as selected ethyl fatty acids esters) were extracted by solid phase microextraction. Compounds were identified with multidimensional gas chromatograph GCxGC-ToFMS with ZOEX cryogenic (N₂) modulator. Sensory evaluation of the wines was also performed. We found, that the fermentation-derived metabolites examined in this study were affected by the malolactic bacteria inoculation regime. Quantitatively, ethyl lactate, diethyl succinate and ethyl acetate dominated as esters with the largest increase in the concentration. The total concentration of ethyl esters was highest for the coinoculation scenario. Whereas the highest concentration of diacetyl was noted for the spontaneous processes. A controlled malolactic fermentation, especially using the coinoculation technique, can be proposed as a safe and efficient enological practice for producing quality, cool-climate grape wines enriched with fruity, fresh and floral aromas.

Drug functionalization through formation of hydrophilic groups is the norm in phase I metabolism of drugs for modification of drug action. The reactions involved are mainly oxidative catalyzed mostly by CYP isoenzymes. The benzene ring, as phenyl or fused with other rings, is the most common hydrophobic pharmacophoric moiety in drug molecules. On the other hand the alkoxy group (mainly methoxy) bonded to the benzene ring assumes an important and sometimes essential pharmacophoric status in some drug classes. Upon metabolic oxidation, both moieties, i.e. the benzene ring and the alkoxy group, produce hydroxy groups; the products are arenolic in nature. Through a pharmacokinetic effect, the hydroxy group enhances the water solubility and elimination of the metabolite with the consequent termination of drug action. However, through hydrogen bonding, the hydroxy group may modify the pharmacodynamics of the interaction of the metabolite with the site of parent drug action (i.e. the receptor). Accordingly, the expected pharmacologic outcome will be enhancement, retaining, attenuation, or loss of activity of the metabolite relative to the parent drug. All the above issues have been presented and discussed in this review using selected members of different classes of drugs with inferences regarding mechanisms, drug design and drug development.

Molecular inhibitors added to the corrosive medium attacking metallic materials are a well-established way of combating corrosion. The inhibitive action proceeds via adsorption of the inhibitor on the surface to be protected. Aromatic building blocks in the inhibitor play a major role in their protective action, further details like substituents, heteroatoms and molecular geometry contribute. An overview is provided focused on aromatic inhibitors aiming at the identification of particularly promising inhibitors and their mode of action. Directions of further research and development are pointed out in conclusion.

This review deals with the functionalization of double bonds carried out in the presence of a chiral catalyst exploiting the intramolecular attack to haliranium ions by nucleophilic nitrogen of amides or carbamates prepared from achiral aminoalkenes, and the C-N bonds formation leads to highly enantioenriched non-aromatic heterocycles. A range of protocols are reported, emphasizing the synthesis of many natural and biologically active products of pharmacological interest prepared according to this methodology.

Due to the growing demand for Medicinal and Aromatic Plants (PAMs), environmental risks associated with overexploitation and inadequate waste management are increasing. Since MAPs residues have a notable potential to be valorised, the implementation of Circular Economy solutions can play a central role in transforming waste management problems into economic opportunities and in responding to the growing demand for MAPs. Circular economy is viewed as a solution for fostering a sustainable system planet and positively contributes to the economy and society. A systematic review was conducted aiming to identify potential applications for the valorisation of MAP, under a sustainable waste management and circular economy approach. A total number of 47 studies were analysed and it was verified that MAPs residues can be valorised for energy purposes, crop management and applications in chemical, food, pharmaceutical, cosmetic industries, among others. Despite the wide range of possible applications, to promote a progressive implementation of circular economy strategies by the industry, further investigation is needed regarding the development of more efficient techniques and technology to develop value-added products and the assessment of sustainable performance in empirical investigations, considering both economic and environmental indicators.

A rapid and efficient method using an alkyl functionalized magnetic nanoparticles-based extraction technique combined with Ultra-High Performance Liquid Chromatography was developed for the detection of trace amounts of polycystic aromatic hydrocarbons in tea leaves. As a popular coating for chromatographic column packing materials, C18-alkyl has been demonstrated to be effective in separating polycystic aromatic hydrocarbons. And the magnetism of the nanomaterials accelerates the extraction process while their high surface ratio enables desirable dispersity in the sample matrix. Meanwhile, the adsorbents can be washed and reused 30 times without compromise on recovery, which greatly reduced the budget. The effects of various parameters were investigated and optimized, and the recoveries for five analytes were in the range of 84.8–103.7%. The reproducibility rate of intra-day and inter-day were below 7.1% and 11.3% respectively. The limits of detection and limits of quantification ranged from 1.69–9.97 ng g-1 and 5.12–30.21 ng g-1, indicating satisfactory sensitivity. Thus, the proposed methodology is rapid, highly efficient, and economical, and it expands the application of magnetic cleanup approaches in complex food matrices.

Due to the widespread application of (hetero)arylazoles, the development of straightforward functional group-tolerant synthetic methods that enable selective heteroaromatic elaboration under mild conditions aroused considerable attention. Over the last years we were interested in studies aimed to broaden the substrate scope of the direct functionalization of azoles and, in particular, to develop efficient synthetic protocols for the carbon-carbon bond forming reaction by selective palladium-catalyzed Csp2-H bond activation of imidazole derivatives. During these studies, we discovered that the outcome of the Pd-catalyzed arylation of imidazoles with aryl bromides is deeply influenced by the nature of the reaction solvent. Specifically, it is well known that the Pd-catalyzed direct arylation of imidazoles with aromatic halides selectively leads to C-5 monoarylation products when polar aprotic solvents such as DMF (or DMA) are used as a reaction medium, but these solvents are coded as dangerous according to EHS (Environmental, Health, Safety) parameters. Instead, the use of aromatic solvents as the reaction medium for direct arylations, although some of them show good EHS values, is poorly reported, probably due to their low solvent power against reagents and their potential involvement in undesired side reactions. So, with the intention of filling this gap, in this paper, we have developed a selective C-5 arylation procedure in anisole as the solvent, discovering also the unprecedented role of benzoic acid as a promoter of the coupling.

There is a sustained rise in incidence of cancer and toxicity related to chemicals exerting enormous burden to public health and biodiversity. Polycyclic Aromatic Hydrocarbons (PAHs) are mong such contaminants, precisely the sixteen-priority characterized by United States Environmental Protection Agency (USEPA). Therefore, this review is aimed at further elaboration about the 16 USEPA characterized PAHs and threat portend to public health and biodiversity. PAHs are a class of very stable organic pollutants produced most commonly, by incomplete combustion of fossil fuel and are formed when complex organic substances are exposed to heat. PAHs in great amount due to build up over time by bioaccumulation can be perilous: to human beings of all age and levels, aquatic organisms, amphibians and reptiles. The soil like the aquatic environment contains substantial quantity of PAHs since, atmospheric PAHs sediments on the soil due to dry and wet deposition, terrestrial organism are impacted if the soil is saturated with PAHs. Therefore, PAHs are a great source of trepidation for food safety, public health and biodiversity sustenance. Hence, tackling the spade of the menacing ubiquity of PAHs becomes necessary from its sources by encouragement of alternatives to petroleum fuels for machines and vehicles.

In January 2019, the French Agency for Food, Environmental and Occupational Health and Safety (ANSES) published an opinion on risks related to the presence of hazardous chemicals in infant diapers. ANSES found that health reference values were largely exceeded for polycyclic aromatic hydrocarbons (PAHs), dioxins (PCCD/Fs) and dioxin-like polychlorobiphenyls (DL-PCBs). The levels of formaldehyde and of some fragrances were also considered potentially unsafe. Therefore, ANSES concluded that actions have to be taken to restrict levels of these contaminants in diapers. Under the exposure scenario deemed the most reliable by ANSES, estimates of cancer risks of the most potent PAHs detected in diapers exceeded 10-3 and hazard quotients for neurobehavioral effects attained values up to 66. Regarding dioxins and DL-PCBs, ANSES derived a hazard quotient of 12 for the risk of decreased sperm count at adult age. The aim of this critical review was to examine whether the exposure and risk assessment conducted by ANSES contained potential flaws that could explain such a high exceedance of health reference values. The review will also put into perspective the exposure from diapers with that from breast milk whose benefits for child’s health are undisputable despite contamination by PAHs, dioxins and DL-PCBS.

The exploitation and use of alternative synthetic methods, in the face of classical procedures that do not conform to the ethics of Green Chemistry, represent an ever present problem in pharmaceutical industry. The procedures for the synthesis of benzimidazoles have become a focus in synthetic organic chemistry, as they are building blocks of strong interest for the development of compounds with pharmacological activity. Various benzimidazole derivatives exhibit important activities such as antimicrobial, antiviral, anti-inflammatory and analgesic and some of the already synthesized compounds have found very strong application in medicine praxis. Here we report a selective and sustainable method for the synthesis of 1,2-disubstituted or 2-substituted benzimidazoles, starting from o-phenylenediamine in the presence of different aldehydes. The use of deep eutectic solvent (DES) both as reaction medium and reagent without any external solvent provides advantages in terms of yields as well as in the work up procedure of the reaction.

Microplastics (MP), defined as plastic particles less than 5 mm, pose a significant global environmental threat, particularly in aquatic ecosystems, due to their persistence and potential harmful effects on wildlife and human health. They can absorb persistent organic pollutants (POP) like polycyclic aromatic hydrocarbons (PAH) and polychlorinated biphenyls (PCB), raising concerns about their impact on biota. To elucidate this, the present study employed attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) to analyse the characteristics of MP sourced from commercial cosmetics. It also utilised nematodes, which are widely accepted indicators of environmental change. Indeed, despite the known risks of MP in aquatic habitats, knowledge of their effects on free-living and beneficial nematodes is limited. This study investigated the toxicity of MP on Caenorhabditis elegans and two entomopathogenic nematode species, Steinernema feltiae (the enviroCORE strain SB12[1]) and Steinernema carpocapsae (a commercial strain from e-NEMA) in laboratory bioassays. Nematodes were exposed to various concentrations of MP and other pollutants in controlled settings over 72 to 96 hours. Additionally, high-throughput 18S rDNA sequencing was used to analyse nematode biodiversity in sediments from the River Barrow (RB) in SE Ireland. Results revealed that MP adversely affected nematode survival and community structure, highlighting the ecological risks posed by MP pollution in river sediments and emphasizing the need for further research into the health of benthic ecosystems in Ireland.

BMAP-18, derived from the N-terminal region of bovine myeloid antimicrobial peptide BMAP-27, demonstrated potent antimicrobial activity without cytotoxicity. This study aimed to compare the antibacterial, antibiofilm, and anti-inflammatory properties of BMAP-18, rich in aromatic phenylalanine residues, with its aliphatic analogue, BMAP-18-FL. Both aromatic BMAP-18 and aliphatic BMAP-18-FL exhibited equally potent antimicrobial activities against Gram-positive and Gram-negative bacteria, particularly methicillin-resistant Staphylococcus aureus (MRSA) and multidrug-resistant Pseudomonas aeruginosa (MDRPA). Mechanistic investigations employing SYTOX green uptake, DNA binding, and FACScan analysis revealed that both peptides acted by inducing membrane permeabilization and subsequent intracellular targeting. Moreover, both BMAP-18 and BMAP-18-FL effectively prevented biofilm formation and eradicated existing biofilms of MRSA and MDRPA. Notably, BMAP-18-FL displayed superior anti-inflammatory activity compared to BMAP-18, significantly reducing the expression levels of pro-inflammatory cytokines in lipopolysaccharide-stimulated macrophages. This study emphasizes the similarities and differences in the antimicrobial, antibiofilm, and anti-inflammatory properties between aromatic BMAP-18 and aliphatic BMAP-18-FL, providing valuable insights for the development of multifunctional antimicrobial peptides against drug-resistant bacteria.

As the demand for aromatic and medicinal herbs increases, so does the pressure to intensify production, increasing the risk of overexploitation of these natural resources. Sustainability corresponds to the preservation of something that exists in the present and must be maintained in the future, implying accountability and obligation. However, in order to maintain the conditions and essential goods for the survival of future generations, consumers and businesses must commit to sustainable practices. The circular economy is considered one of the solutions to promote a sustainable system and can be defined as a transition from a linear model, where resources are transformed, used and discarded, to a circular (regenerative) model, where materials are reused whenever possible. An ecologically correct approach to waste reuse avoids the negative impacts associated with improper disposal of agro-industrial wastes, such as mass proliferation of microorganisms, production of greenhouse gases, loss of energy potential, and other negative impacts on the environment or human health. The objective of this study is to provide a compilation of good agricultural practices that promote sustainability in the production of medicinal and aromatic herbs, particularly in the areas of cultivation, harvesting, drying, extraction, and packaging, and to highlight the potential for evaluating processing residues in medicinal and aromatic herbs.

The output of non-ferrous metal smelters is 450,000 tons (3.1% of world output), and copper ranks 10th in the world for health impact evaluation. According to the latest information from smelters, the overall average concentration in 2020 was 8.2 ppb each of SO2, NO2, O3, PM10, and PM2.5. 7.5 ppb, 30.8 ppb, 21.3 μg/m3, and 13.2 μg/m3, and the maximum concentrations were 390 ppb, 50 ppb, 167 ppb, 148 μg/m3, and 107 μg/m3. Art Corporation, A2C (Atmosphere to CFD) model was used to investigate the resident health follow-up management (cohort study) study (SAS Enterprise Guide) as the basis for the source of diffuse pollution in the area. The average concentration of PAHs (polynuclear aromatic hydrocarbons) among carcinogens in the air by survey site was the highest in Seokpo 4-ri (60.7 ng/m3), followed by Seokpo 1-ri (48.6 ng/m3) and Seokpo. Among the respiratory diseases, the disease (Acute upper respiratory tract disease(J00-J06), Other upper respiratory tract diseases (J32-J39), Acute lower respiratory tract infection (excluding pneumonia) (J20-J22), Chronic lower respiratory disease (persons) (excluding J40-J47, J45-J46), Asthma (J45-J46), Rhinitis (J30-J31), Respiratory disease (J00-J99), Cough (R05)) that has a correlation between the exposed area and the control area is as follows.

Research subjects of this study are four representative locations in the industrial complex, in the city of Banja Luka, Republic of Srpska, Bosnia and Herzegovina. 16 polycyclic aromatic hydrocarbons (PAHs) (∑16PAHs), humus and pH were determined. The main objective of the paper is to determine the concentration levels, to assess the probable sources of PAHs contamination in soil and groundwater and to determine the ecological risk. The ∑16PAHs in soil (at depths of 30 cm, 100 cm, 200 cm, 300 cm and 400 cm) ranged from 0.99 to 2.24 mg/kg, from 0.34 to 0.46, from 0.24 to 0.32, from 0.13 to 0.27 and from 0.13 to 0.47, with mean values of 1.70 mg/kg, 0.40 mg/kg, 0.28 mg/kg, 0.20 mg/kg and 0.26 mg/kg, respectively. The ∑16PAHs in groundwater ranged from 0.23 to 4.50 mg/m³, with a mean value of 1.42 mg/m³. Surface soil and groundwater are heavily contaminated. All values of ∑PAHs in soil layers were lower in the depths of the soil. Factor analysis indicates three sources of contamination, i.e. principal component (PC) PC1 (pyrogenic), PC2 (petrogenic) and PC3 (biomass), with 52.39%, 26.14% and 8.46% of the total variance, respectively. ∑PAH and PAHs indicate high ecological risk for most PAHs, which decreases with soil depth.

Humulus lupulus, or hops, is a vital ingredient in brewing, contributing bitterness, flavor, and aroma. The female plants produce strobiles rich in essential oils and acids, along with bioactive compounds like polyphenols, humulene, and myrcene, which offer health benefits. This study examined the aromatic profiles of five hop varieties grown in Brazil versus their countries of origin. Fifty grams of pelletized hops from each strain were collected and analyzed using HS-SPME/GC-MS to identify volatile compounds, followed by statistical analysis with PLS-DA and ANOVA. The study identified 330 volatile compounds and found significant aromatic differences among hops from different regions. For instance, H. Mittelfrüher grown in Brazil has a fruity and herbaceous profile, while the German-grown variety is more herbal and spicy. Similar variations were noted in Magnum, Nugget, Saaz, and Sorachi Ace varieties. The findings underscore the impact of terroir on hop aromatic profiles, with Brazilian-grown hops displaying distinct profiles compared to their counterparts from their countries of origin, including variations in aromatic notes and α-acid content.

Background: Early diagnosis of postoperative complications is an urgent task, allowing timely prescribing of appropriate therapy and reducing the cost of patient treatment. Prognostic models based on various data could help in the early diagnosis of postoperative complications after cardiac surgery. Objectives: The purpose of the study was to determine whether an integrated approach based on clinical data along with metabolites and biomarkers had greater predictive value than the models built on less data. Methods: The study included patients (n=62) admitted for planned cardiac surgery (coronary artery bypass grafting with cardiopulmonary bypass), who were retrospectively divided into two groups depending on the presence (n=26) or absence (n=36) of postoperative complications of all types. Clinical and laboratory data on the first day after surgery were analyzed. Additionally, patients' blood samples were collected before and on the first day after surgery to determine biomarkers (interleukin-6, procalcitonin, NT-proBNP, high-sensitivity troponin T) and metabolites (8 aromatic and 2 dicarboxylic acids were detected using gas chromatography-mass spectrometry). Results: Patients before surgery, compared with healthy donors, differed in the concentration of metabolites (p &lt; 0.05), and had concentrations of a number of biomarkers exceeding the corresponding reference values. Multivariate PLS-DA models, predicting the presence or absence of postoperative complications, were built using clinical data (ROC-AUC=0.71), concentrations of metabolites and biomarkers (ROC-AUC=0.60), and the entire data set (ROC-AUC=0.75). For comparison we built univariate models using the EuroScore2 (ROC-AUC=0.59) and SOFA (ROC-AUC=0.76) scales; concentrations of lactate (ROC-AUC=0.71), the dynamic changes of 4-hydroxyphenyllactic acid (ROC-AUC=0.69), and the sum of three sepsis-associated metabolites (ROC-AUC=0.70). The proposed complex model using entire data set was comparable to the SOFA scale, which confirms the expediency of searching for new predictive models based on a variety of factors.

Generating electricity from coal combustion is highly associated with ongoing pollution problems that negatively impact the environment. Coal fly ash (CFA) is a predominant waste by-product of coal combustion which is disposed of in exposed ash dams constructed in the vicinity of power stations. Its disposal requires a large piece of land and therefore more land is converted to unproductive disposal sites, degrading the ecosystem. This waste material is classified as a hazardous substance in South Africa due to unacceptable levels of inorganic and persistent organic pollutants and its potential for dust creation. CFA is recycled and sold to the building and construction sectors, but the rate of its utilization is far less than the production rate resulting to high volumes that is stockpiled in disposal sites. More than 500 million tons CFA is produced yearly and over 200 million tons yearly remain unused globally and more CFA will continue to be produced due to high consumer energy demands, especially in countries with heavy reliance on coal for power generation. In this context, the paper discusses production of CFA, pollution problems due to its disposal, examines existing gaps within the scope of ash dam restoration processes and presents opportunities offered by phytoremediation (a low-cost and environmentally friendly technology that utilizes plants to restore the degraded environments). Ecological restoration through the use of socio-economically valuable plants (aromatic plants, legumes and grasses) has potential in addressing societal challenges and consequently impacting positively the livelihood of communities.

The high flammability and lack of charrability of polystyrene (PS) pose significant limitations on its broader applications. Therefore, there is an urgent need for a straightforward and efficient method for the synthesis of flame-retardant PS, which still poses a considerable challenge. In this study, we present an efficient approach to enhance the flame-retardant properties of PS through direct phosphorylating aromatic C(sp2)-H bonds using commercially available and inexpensive manganese catalyst. A range of phosphonates served as reactive substrates to enable a tunable degree of polymer functionalization. The corresponding phosphorylated PS specimens were determined by means of 1H NMR, 31P NMR, FTIR spectroscopy and GPC. Microscale combustion calorimetry (MCC) tests indicate that this protocol indeed enhances the flame-retardant performance of PS. Moreover, other advantages associated with the incorporation of the phosphonate group have been observed, including improved thermal resistance and wettability. This cost-effective strategy of Mn-catalyzed C-H can also be utilized to directly obtain phosphonate modification of waste foamed PS and styrene acrylonitrile copolymer, providing a new method for the purpose of recycling and upgrading PS plastics.

This review paper presents a comprehensive synthesis of current knowledge on the contamination of water systems by polycyclic aromatic hydrocarbons (PAHs). PAHs, organic contaminants characterized by two or more fused aromatic rings, are notably problematic due to their persistence, bioaccumulation, and significant health risks. The review commences with an examination of various sources of PAHs in aquatic environments, encompassing both anthropogenic activities, such as industrial discharges, urban runoff, and oil spills, and natural phenomena including volcanic eruptions and wildfires. Subsequently, the discussion shifts to the distribution patterns of PAHs within different aquatic ecosystems, with an analysis of factors that influence their transport. Considerable focus is placed on the entry mechanisms of PAHs into water systems and their interactions with diverse environmental matrices. Additionally, the ecotoxicological effects of PAHs on aquatic life are scrutinized, with particular emphasis on molecular, individual, and ecosystemic impacts. This includes an exploration of PAH bioaccumulation in aquatic organisms and their potential mutagenic and carcinogenic consequences. The review further addresses the challenges associated with detecting and quantifying PAHs in aquatic settings, reflecting on the advancements in analytical methodologies and the complexities introduced by their varied physicochemical properties. The paper concludes with a summary of existing regulatory frameworks and guidelines governing PAH contamination in water systems, underscoring the imperative for global collaboration in the monitoring and management of PAH pollution.

One of the major problems caused by repeated subcutaneous insulin injections in diabetic patients is insulin amyloidosis. Understanding the molecular mechanism of amyloid fibril formation of insulin and finding effective compounds to its inhibit or eliminate is very important and extensive research has been done on it. In this study, the anti-amyloidogenic and destabilizing effects of the pyrogallol, as a phenolic compound, on human insulin protein were investigated by CR absorbance, ThT and ANS fluorescence, FTIR spectroscopy and atomic force microscopy. According to the obtained results, the formation of amyloid fibrils at pH 2.0 and 50 °C was confirmed by CR, ThT, ANS, FTIR assays. Microscopic images also showed the twisted and long structures of amyloid fibrils. Simultaneous incubation of the protein with pyrogallol at different concentrations reduced the intensities of CR, ThT and ANS in a dose-dependent manner and no trace of fibrillar structures was observed in the microscopic images. FTIR spectroscopy also showed that the position of amide I band in the spectrum of samples containing pyrogallol was shifted. Based on the findings in this study, it can be concluded that pyrogallol can be effective in preventing and suppressing human insulin amyloid fibrils.

With increasing interest in understanding contribution of secondary organic aerosol (SOA) to particulate air pollution in urban areas, an exploratory study was carried out to determine levels of carbonaceous aerosols and polycyclic aromatic hydrocarbons (PAHs) in the City of Kuala Lumpur, Malaysia. PM2.5 samples were collected using a high-volume sampler for 24 h in several areas in Kuala Lumpur during the north-easterly monsoon from January to March 2019. Samples were analysed for water soluble organic carbon (WSOC), organic carbon (OC), elemental carbon (EC) and secondary organic carbon (SOC) in PM2.5 was estimated. Particle-bound PAHs were analysed using gas chromatography-flame ionization detector (GC-FID). Average concentrations of WSOC, OC and EC were 2.7 ± 2.2 (range of 0.63-9.1) µg/m3, 6.9 ± 4.9 (3.1-24.1) µg/m3 and 3.7 ± 1.6 (1.3-6.8) µg/m3, respectively, with estimated average SOC of 2.3 µg/m3, contributing 34% to total OC. The average of total PAHs was 1.8 ± 2.7 ng/m3. Source identification methods revealed natural gas and biomass burning, and urban traffic combustion as dominant sources of PAHs in Kuala Lumpur. To understand human health risk posed by PAHs, a deterministic screening health risk assessment was also conducted for several age groups including infant, toddler, children, adolescent and adult. The total concentration of BaPeq is 3.8 ng/m3, with the average of 0.29 (range of 0.001-1.6) ng/m3. Carcinogenic and non-carcinogenic risk of PAH species were well below the acceptable levels recommended by the USEPA. Future work is needed using long-term monitoring data to understand the origin of PAH contributing to SOA formation and to apply source-risk apportionment to know better the potential risk factors posed by the various sources in urban areas in Kuala Lumpur.

There is a growing interest in a potential use of essential oils (EOs) as a possible alternative for chemical pesticides. The formulation between different EOs could maximize the single biological efficacy by synergic mechanism. The aim of the current study was to evaluate the biological activity of three prepared blended oil formulations (BOFs) derived from Origanum vulgare L. (oregano) and Salvia officinalis L. (sage) compared to each parent EO. The chemical composition of each single studied EO has been revealed using GC-MS analysis. The three BOFs have been prepared as following: i) 25% oregano EO + 25% sage EO (BOF-I); ii) 25% oregano EO + 5% sage EO (BOF-II); iii) 5% oregano EO + 25% sage EO (BOF-III). The antibacterial activity of the new BOFs has been evaluated against Bacillus megaterium, B. cereus and Xanthomonas campestris, whereas, the antifungal activity has been carried out against Botrytis cinerea, Penicillium italicum and Fusarium oxysporum. The possible phytotoxic effect of the new BOFs has been evaluated on Lepidium sativum (garden cress), Solanum lycopersicum (tomato) and Lactuca sativa (lettuce) following the seed germination and radicle elongation assay. GC-MS analysis revealed that the oregano EO composed mainly from thymol, p-cymene and carvacrol with 76.0, 5.7 and 3.2 %, respectively. Whereas, salvia EO, the GC-MS analysis showed that the relevant predominant constituents were trans-thujone and camphor with 37,9 and 13,9 %, respectively. Results demonstrated that the tested BOFs possess antimicrobial effect higher than each parent EO. In particular, BOF-II showed the highest effect against all tested bacteria. Regarding the antifungal activity, BOF-II showed the highest significant antifungal effect against all tested fungi. Results showed also that both BOF-I and BOF-III explicated a moderate effect against B. cereus and all tested fungi compared to single EOs. In addition, the three BOFs showed notable phytotoxic effect against all three tested plants, particularly BOF-I. Whereas, the single sage EO at 25% showed the lowest significant phototoxic effect indicating its possible using as natural herbicides.

A series of cysteine-based perfluoroaromatic (hexafluorobenzene (I) and decafluorobiphenyl (II) were synthesized and established as a chemoselective and available core to simple or more complex systems since small molecules to biomolecules with interesting properties. As proof of concept of the potential application of perfluorinated derivatives as non-cleavable linkers, some antibody-perfluorinated conjugates were prepared via thiol, demonstrating that the bioconjugation process doesn’t affect to the macromolecular entity. Besides, some molecular properties of synthesized compounds are evaluated using a combination of spectroscopic characterization (FT-IR and 19F-NMR chemical shifts) and theoretical calculations. Moreover, molecular Docking was also developed to predict cysteine-based hexafluorobenzene and decafluorobiphenyl derivatives’ affinity against topoisomerase Il and cyclooxygenase 2 (COX-2). The results suggested that mainly cysteine-based decafluorobiphenyl derivatives could be potential topoisomerase II α and COX-2 inhibitors, becoming potential anticancer agents and candidates for anti-inflammatory treatment.

In this study, the use of recycled diatomaceous earth as the extraction phase in a the solid phase microextraction (SPME) technique for the determination of polycyclic aromatic hydrocarbons (PAHs) in river water samples, with separation/detection performed by gas chromatography-mass spectrometry (GC-MS), is proposed. The optimized extraction conditions are extraction time 70 min at 80 ºC with no addition of salt. The limits of quantification were close to 0.5 μg L-1 with RSD values lower than 25% (n = 3). The linear working range was 0.5 μg L-1 to 25 μg L-1 for all analytes. The method was applied to samples collected from the Itajaí River (Santa Catarina, Brazil) and the RSD values for repeatability and reproducibility were lower than 15% and 17%, respectively. The efficiency of the recycled diatomaceous earth fiber was compared with that of commercial fibers and good results were obtained, confirming that this is a promising option for use as the extraction phase in SPME.

A series of alpha,omega-bis(o-methoxyphenyl)arenes were prepared through Suzuki-Miyaura coupling reactions of dibromoarenes with o-methoxyphenyl boronic acid. P2O5-CH3SO3H-mediated direct polycondensation of alpha,omega-bis(o-methoxyphenyl)arenes with trans-1,4-cyclohexanedicarboxylic acid proceeded regioselectively to afford 1,4-cyclohexanediyl-containing aromatic polyketones. The resulting aromatic polyketones have high Tg and excellent solubility in typical organic solvents. In addition, the polyketone films fabricated by solution casting method are more colorless and transparent than those without cyclohexanediyl units.

In Qinglong ore field, paleo-oil reservoir is found to be associated with antimony deposits, and they have close genetic relationship. In this study, aromatics geochemistry of paleo-oil reservoir bitumen was studied to further discuss the thermochemical sulfate reduction (TSR) reaction and the mechanism of antimony mineralization. A total of 124 aromatic compounds were identified by Gas chromatography-mass spectrometry (GC–MS) analysis in bitumen samples, including abundant phenanthrene series, dibenzothiophene series, fluoranthene series, chrysene series, and a small number of fluorene series, naphthalene series, dibenzofuran series, biphenyl series, triaromatic steroid series. Aromatic parameters such as trimethylnaphthalene index (TMNr), methylphenanthrene index (MPI), methylphenanthrene distribution fraction (MPDF, F1 and F2), methyldibenzothiophene parameter (MDR), C28TAS-20S/(20R+20S), and benzofluoranthene/benzo[e]pyrene indicate Qinglong paleo-oil reservoir is in over maturity level. The abundance of phenanthrene and chrysene aromatic compounds and a small amount of naphthalene series, benzofluoranthene, fluoranthene, pyrene, anthracene, retene, perylene and biphenyl suggest that the parent material of the paleo-oil reservoir was mainly low aquatic organisms, mixed with a small amount of higher plant. The detected a certain number of compounds, such as retene, triaromatic steroid series and perylene, the ternary diagram of DBF–DBT–F and binary plot of Pr/Ph–DBT/P, DBT/(F+DBT)–DBF/(F+DBF) and Pr/Ph–DBT/DBF reveal that the source rock of the paleo-oil reservoir was formed in the marine environment of weak oxidation and weak reduction. The comprehensive analysis shows that the Qinglong paleo-oil reservoir originated from Devonian source rocks, just like other paleo-oil reservoirs and natural gas reservoirs in the Nanpanjiang basin. Abundant dibenzothiophene series were detected, indicating that the paleo-oil reservoir underwent a certain degree of TSR reaction. We believe that the paleo-gas reservoir formed by the evolution of paleo-oil reservoir participated in antimony mineralization, that is, hydrocarbon organic matter acted as reducing agent and transformed SO42− in oilfield brine into H2S through TSR, providing reduced sulfur and creating environmental conditions for mineralization.

Residential dust is recognized as a major source of environmental contaminants, including polycyclic aromatic hydrocarbons (PAHs) and phthalic acid esters (PAEs). To characterize the thoracic dust fraction (PM10), a sampling campaign was carried out with an in-situ resuspension chamber in three rooms (kitchen, living room and bedroom) of four Spanish houses. Two samples per room were collected with, at least, a one-week interval. The PM₁₀ samples were analyzed for their carbonaceous content by a thermo-optical technique and, after solvent extraction, for 20 PAHs, 8 phthalate plasticizers (PAEs) and one non-phthalate plasticizer (DEHA) by gas chromatography-mass spectrometry. In general, higher dust loads were observed for parquet flooring compared with tile. The highest dust loads were obtained for rugs. Total carbon accounted for 9.3 to 51%wt of the PM₁₀ mass. Plasticizer mass fractions varied from 5 µg g-1 to 17 mg g^-1 PM₁₀, whereas lower contributions were registered for PAHs (0.98–116 µg g^-1). The plasticizer and PAH daily intakes for children and adults via dust ingestion were estimated to be 3–4 orders of magnitude higher than those via inhalation and dermal contact. Potential carcinogenic and negligible non-carcinogenic risks arising from exposure to PAHs were found.

(1) Polycyclic aromatic hydrocarbons (PAHs) are hazardous organic compounds with known carcinogenic and toxic properties. Exposure to PAHs occurs through various sources, including diet, inhalation, and skin contact, and they can transfer into breast milk following maternal exposure, potentially endangering breastfeeding infants. (2) This study aimed to determine the PAH content in breast milk samples from 50 Hungarian mothers using high-performance liquid chromatography with fluorescence detection (HPLC/FLD). The carcinogenic risk to infants was estimated using the Incremental Life Risk Calculation (IRCL) model. (3) Total PAH concentrations ranged from 0 to 78 ng/mL, with fluorene (5.3 ng/mL), phenanthrene (3.2 ng/mL), and pyrene (2.5 ng/mL) being the most abundant. PAHs were detected in 48 of the 50 samples, with phenanthrene present in 92% of samples. Dibenzo (a,h)anthracene was not detected. (4) Based on IRCL calculations, 10% of the samples were classified as safe, while 88% presented an acceptable carcinogenic risk for infants. Statistical analysis of questionnaires completed by the mothers indicated that factors such as diet, residence, and education may influence PAH levels in breast milk.

Synthesis of a novel series of chromen-3-yl-pyridine moieties. IR, NMR, and MS spectroscopy were used to confirm the structure of these novel compounds and study of antitumor activity of these compounds. The structure activity relationship investigation demonstrated that 2,4-diamino-5-(3-methoxyphenyl)-7-(2-oxo-2H-chromen-3-yl)-1,8-naphthyridine-3-carbonitrile (16), was more effective and naphthyridine-3-carbonitrile derivatives 17, 18 and pyrido[2,3-d]pyrimidine derivative 12, while compounds 5a,b, 9c, 11, 13 and 14 were moderate activity for antitumor activities.

Phytoremediation, a method of phytomanagement using the plant holobiont to clean up polluted soils, is particularly effective for degrading organic pollutants, such as alkanes and polycyclic aromatic hydrocarbons (PAHS). However, the respective contributions of host plants and their associated microbiota within the holobiont to the efficiency of phytoremediation is poorly understood. Identification of plant-associated bacteria capable of efficiently utilizing these compounds as carbon source while stimulating plant-growth, is a keystone for phytomanagement engineering in order to improve the efficiency of pollutant removal. In this study, we sampled the rhizosphere and the surrounding bulk soil of Salix purpurea and Eleocharis obusta from the site of a former petrochemical plant in Varennes, QC, Canada. Our objectives were to: (i) isolate and identify indigenous bacteria inhabiting these biotopes; (ii) assess the ability of isolated bacteria to utilize alkanes (dodecane and hexadecane) and PAHs (naphthalene, phenanthrene and pyrene) as the sole carbon source, and (iii) determine the plant growth-promoting (PGP) potential of the isolates using five key traits. A total of 438 morphologically different bacterial isolates were obtained, purified, preserved and identified through PCR and 16S rRNA gene sequencing. Identified isolates represent 62 genera, including taxa such as Acinetobacter, Arthrobacter, Bacillus, Enterobacter, Nocardia, Pseudomonas, Rhodococcus, Streptomyces and Variovorax. Approximately, 32% of bacterial isolates, including Arthrobacter, Pseudomonas, Streptomyces, Enterobacter, Nocardia, Acinetobacter and Microbacterium, were able to utilize all five different hydrocarbons compounds. Additionally, 5% of tested isolates belonging to genera Pseudomonas, Acinetobacter, Serratia, Klebsiella, Microbacterium, Bacillus and Stenotrophomonas possessed all five of the tested PGP functional traits. This culture collection of diverse, petroleum-hydrocarbon degrading bacteria, with multiple PGP traits, represents a valuable resource for future use in environmental bio- and phyto-technology applications, including phytoremediation of petroleum hydrocarbons contaminated soils and phytomanagement of anthropized areas.

Several series of new polymers were synthesized: binary copolyesters of vanillic (VA) and hydroxybiphenylcarboxylic (HBCA) acids, as well as ternary copolyesters additionally containing hydroxybenzoic acid (HBA) and obtained via three different ways (in solution, in melt and in solid state). The high values of logarithmic intrinsic viscosities and insolubility of several samples proved its high molecular weights. It has been shown that the use of vanillic acid leads to the production of copolyesters with a relatively high glass transition temperature (about 130°C). Thermogravimetric analysis revealed onset of weight loss temperatures of ternary copolyesters occurred at 330-350 °C, the temperature of 5% mass loss is in the range of 390-410 °C. Two-stage thermal destruction is observed for all aromatic copolyester of vanillic acid: decomposition begins with VA units at 420-480 °C, and then decomposition of more heat-resistant units demonstrated above 520 °C. The copolyesters are thermotropic and exhibit a typical nematic type of liquid crystalline order. Mechanical characteristics of copolyesters are close to those for semi-aromatic copolyesters, but are much lower than typical values for fully aromatic thermotropic polymers. Thus, vanillic acid is a mesogenic monomer suitable for the synthesis of thermotropic fully aromatic and semi-aromatic copolyester, but resulting processing temperature must not exceed 280°C.

Air pollution includes particle-bound Polycyclic Aromatic hydrocarbons (PAHs) which eventually reach the placenta triggering adverse perinatal outcomes by long-term exposure. Late-ly, air pollution has increased over the Metropolitan Area of Medellin-Colombia (MAMC) but its effects on pregnancy are still unknown. In this research, we made a real-time analysis of airborne total PAHs using a photoelectric sensor for residential places influenced by industrial and traffic sources contrasting southern and northern MAMC during the second peak of the bimodal ten-dency for PM2.5 emissions in this region. Additionally, we analyzed individual PAHs by GC/MS coupled to pressurized hot water extraction methodology. Data was applied in an Inhalation In-take Model to assess pregnancy exposure. The average concentration of PAHs over southern MAMC was three times higher than over northern MAMC where the abortion rate has been 1.4 times higher presented in database. Previous research found that PAHs act as an Endo-crine-Disrupting Chemical (EDC) during pregnancy and even heavy congeners could reside in umbilical cord blood. Finally, the annual series of abortion rates in the MAMC showed a signifi-cant correlation with the annual average levels of PM2.5 which are associate to PAHs. Although this significant correlation does not imply causality, our results suggest an important connection between both variables. This latter finding opens a gap in deeply understanding how regions with high PAHs-convergence influences abortion rates in MAMC.

Polycyclic aromatic hydrocarbons (PAHs) have been reported to cause oxidative stress in metabolic processes. This study aimed to evaluate the relationship between exposure to PAHs, including benzo[a]pyrene (BaP) and 1-nitropyrene (1-NP), in the atmosphere and oxidative stress levels in the human body. This study included 44 Korean adults who lived in Cheongju, South Korea. Atmospheric BaP and 1-NP concentrations and urinary 6-hydroxy-1-nitropyrene (6-OHNP), N-acetyl-1-aminopyrene (1-NAAP), and 1-hydroxypyrene (1-OHP) concentrations were measured. The oxidative stress level was assessed by measuring urinary thiobarbituric acid reactive substances (TBARS) and 8-hydroxydeoxyguanosine (8-OHdG) concentrations. Urinary TBARS and 6-OHNP concentrations significantly differed between winter and summer. BaP exposure was significantly associated with urinary 8-OHdG concentrations in summer. However, atmospheric 1-NP did not show a significant correlation with oxidative stress marker concentrations. Urinary 1-NAAP concentration was a significant determinant for urinary 8-OHdG concentration in summer. Oxidative stress in the body increases in proportion to inhalation exposure to BaP, and more 8-OHdG is produced in the body as the amount of 1-NP, which is metabolized to 1-AP or 1-NAAP, increases.

Background and objectives: The impact of prenatal exposure to polycyclicaromatic 17 hydrocarbons (PAHs) on birth outcomes as weight, length, head circumference, placenta 18 weight, and Apgar. Materials and Methods: Two cohorts of children born in the years 2013 and 19 2014 in Karvina (Northern Moravia, N=144) and Ceske Budejovice (Southern Bohemia, 20 N=198), were studied for the relationship between the prenatal exposure to PAHs and growth 21 parameters up to two years of age. PAHs exposure was evaluated according to the concentration 22 of benzo[a]pyrene (B[a]P) in polluted air and monohydroxylated PAH metabolites (OH-PAHs) 23 in urine of newborns as well as their mothers. Data of growth parameters were obtained from 24 pediatric questionnaires up to 24 months. 25 Results: Concentrations of B[a]P were significantly higher in Karvina (p<0.001). OH-26 PAH metabolites were significantly higher in the mothers´ as well as in the newborns´ urine in 27 Karvina. The length was shorter in newborns in Karvina at birth (p<0.001), but this difference 28 was straightened out during next 3 to 24 months. Birth weight at the delivery did not differ 29 between newborns in Karvina and Ceske Budejovice. Newborns in both locations significantly 30 decreased their weight gain between birth and 3 months after delivery. OH-PAHs metabolites 31 in mother’s or newborn’s urine did not affect birth weight. Top 25% values of concentrations 32 of 2-OH-FLUO, 1-OH-NAP, 2-OH-NAP, 1-OH-PHEN, 2-OH-PHEN, 3-OH-PHEN, 4-OH-33 PHEN, and the sum of all-OH-PAHs higher than median in the newborns´ urine decreased their 34 length. 2-OH-PHEN top 25% of concentrations in the newborns´ urine decreased their head 35 circumference, 2-OH-FLUO, 1-OH-NAP, 2-OH-NAP, 1-OH-PHEN, 2-OH-PHEN, 3-OH-36 PHEN, 4-OH-PHEN, 9-OH-PHEN, 1-OH-PYR, and all-OH-PAHs decreased placenta weight; 37 2-OH-FLUO, 1-OH-NAP, 2-OH-NAP, 1-OH-PHEN, 2-OH-PHEN, 3-OH-PHEN, 4-OH-38 PHEN, and all-OH-PAHs decreased Apgar 5´. Conclusions: We observed that higher 39 concentration of PAHs determined as OH-PAHs metabolites in newborns´ urine decreased their 40 length, head circumference, placenta weight, and Apgar 5´, but did not affect birth weight.

Soil contamination with petroleum hydrocarbons (PHCs) has become a global concern in the word due to intensification of industrial activities. This creates a serious environmental issue, therefore there is a need to find solutions, including application of efficient remediation technologies, or to improve current techniques. Rhizoremediation is a sub-category of the phytoremediation which refers to Phytomanagement that uses plants and their associated microbiota. These green technologies have received a global attention as a cost-effective and possible efficient remediation technique that can be applied to cleanup PHCs-polluted soils. The mechanism of rhizoremediation process is that plant roots stimulate soil microbes to mineralize organic contaminants to H2O and CO2. However, this multipartite interaction is much complex because many biotic and abiotic factors can influence microbial processes in the soil, making the efficiency of rhizoremediation unpredictable. This review reports the progress made on rhizoremediation approaches that can overcome the limitations and improve the efficiency of PHCs-contaminated soils. The addressed approaches in this review include: 1) selecting plants with desired characteristics suitable for rhizoremediation, 2) the exploitation and manipulation of plant microbiome by using inoculant containing plant growth-promoting rhizobacteria (PGPR) or hydrocarbon-degrading microbes, or a combination of both types of organisms, and 3) enhancement of the understanding of how host-plant assembles a beneficial microbiome, and how it functions, under pollutant stress.

Traumatic brain injury (TBI) is an important global clinical issue, requiring not only prevention but also effective treatment. Following TBI, diverse parallel and intertwined pathological mechanisms affecting biochemical, neurochemical, and inflammatory pathways can have severe impact on the patient’s quality of life. The current review summarizes evidence for utility of amantadine in TBI in connection to its mechanism of action. Amantadine combining multiple mechanisms of action may offer both neuroprotective and neuroactivating effects in TBI patients. Indeed, use of amantadine in TBI has been encouraged by several clinical practice guidelines/recommendations. Amantadine is also available as infusion which may be of particular benefit in unconscious patients with TBI, due to immediate delivery to the central nervous system and the possibility of precise dosing. In other situations, orally administered amantadine may be used. There are several questions that remain to be addressed: Can amantadine be effective in disorders of consciousness requiring long-term treatment and in combination with drugs approved for treatment of TBI? Do the observed beneficial effects of amantadine extend to disorders of consciousness due to factors other than TBI? Well controlled clinical studies are warranted to ultimately confirm its utility in the TBI and provide answers these questions.

Keywords: contamination; bioaccumulation; fish and mollusks tissue; ecosystem components; heavy metals; organochlorine pesticides; polychlorinated biphenyls; polycyclic aromatic hydrocarbons.

This study reports the synthesis and characterization of novel per-fluorinated organic polymers with azo- and azomethine-based linkers using nucleophilic aromatic substitution. The polymers reveal variations in the fluorine content via the incorporation of decafluorobiphenyl and hexafluorobenzene linkers, which enhanced their hydrophobic nature. The rich fluorine polymers were slightly soluble in THF and have shown molecular weights between 4886 to 11948 g/mol. All polymers exhibit thermal stability in the range of 350-500°C, with varying thermal stability depending on the fluorine and nitrogen content. Conjugation of the polymers was confirmed through changes in the UV-Vis spectra, with a hypsochromic shift observed in all cases, more pronounced in azo-based fluorinated chains due to H-bonding on the nitrogen sites, chain conformations, and planarity. The optical band gap (Eg) of the polymers was determined from the UV-Vis data, with the Eg values of the azo-based fluorinated polymers being 1 eV higher than those of their corresponding linkers. The cross-linking formation was characterized by porosity measurements, with the azo-based polymer exhibiting the highest surface area of 770 m²/g with a pore volume of 0.35 cm³/g, while the open-chain azomethine-based polymer exhibited the lowest surface area of 285 m²/g with a pore volume of 0.0872 cm³/g. Porous structures with varied hydrophobicities were investigated as adsorbents for separating water-benzene and water-phenol mixtures and selectively binding methane/carbon dioxide gases from the air. The most hydrophobic polymers containing the decafluorbiphenyl linker were suitable for benzene separation, while the best methane uptake values were 6.14 and 3.46 mg/g for DAB-Z-1O and DAB-A-1O, respectively. DAB-Z-1h, with the highest surface area and rich in nitrogen sites, exhibited the highest CO₂ uptake at 298 K (17.25).

Studies on the characteristics of hazardous air pollutants (HAPs) in the emissions of medium-duty diesel trucks are significantly insufficient compared to that on heavy-duty trucks. This study investigates the characteristics of regulated pollutants and HAPs such as volatile organic compounds (VOCs), aldehydes, and polycyclic aromatic hydrocarbons (PAHs), and estimates non-methane hydrocarbon (NMHC) speciation in the emissions of medium-duty diesel trucks. Ten medium-duty diesel trucks conforming to Euros 5 and 6 were tested for worldwide harmonized light duty driving test cycle (WLTC), new European driving cycle (NEDC), constant volume sampler (CVS)-75, and National Institute of Environmental Research (NIER)-9 using a chassis dynamometer. CO and NMHC emissions were the highest in the NEDC because of its longer low-speed driving time. NOx emissions were the highest in WLTC owing to the influence of thermal NOx in the high-speed phase. Alkanes dominated non-methane volatile compound (NMVOC) emissions owing to the low reaction of the diesel oxidation catalyst. After-treatment system, driving, and engine conditions influenced the individual components of NMVOC emissions. Formaldehyde emissions were the highest among aldehydes irrespective of driving cycles. By sampling the particle-phase of PAHs, we detected benzo(k)fluoranthene and benzo(a)pyrene and estimated the concentrations of the gas-phase PAHs with models to obtain the total PAH concentrations. The toxic equivalency quantities of benzo(k)fluoranthene and benzo(a)pyrene from NIER-9 (cold) for both Euro 5 and Euro 6 vehicles were more than five times higher than that of NIER (hot) and NEDC. In the case of NMHC speciation, formaldehyde emissions were the highest in all the driving cycles. Formaldehyde and benzene must be controlled in the emissions of medium-duty diesel trucks to reduce their health threats. The results of this study will aid in establishing a national emission inventory system for HAPs of mobile sources in Korea.

This study evaluated the antioxidant activity of the methanol extract from aromatic Cynanchum thesioides (Freyn) K. Schum. by fractionating it with different solvents, aiming to provide theoretical evidence for the development of products related to aromatic Cynanchum thesioides (Freyn) K. Schum. The yield of the methanol extract was 13.33%, with the water fraction showing the highest yield, followed by n-hexane, n-butanol, dichloromethane, and ethyl acetate. Among these fractions, the ethyl acetate fraction showed the highest antioxidant activity, as indicated by total polyphenol content and ABTS radical scavenging activity. The DPPH radical scavenging activity, reducing power, and SOD-like activity measurements showed no significant difference between the ethyl acetate and n-butanol fractions, as both showed the highest radical scavenging activity. In the FRAP activity measurement, the n-butanol fraction ranked behind the ethyl acetate and dichloromethane fractions in terms of antioxidant activity. Although the ethyl acetate fraction showed the highest antioxidant activity, its yield was only 1.29%, making it unsuitable for product production considering productivity and economy. However, the n-butanol fraction showed overall high antioxidant activity and was approximately 4 times more abundant with a yield of 5.80% compared to the ethyl acetate fraction. Consequently, considering both productivity and economy, the n-butanol fraction is considered suitable for product development and production.

Metalloproteinases are zinc-dependent endopeptidases that function as primary effectors of tissue remodelling, cell-signalling, and many other roles. Their regulation is ferociously complex, and is exquisitely sensitive to their molecular milieu, making in vivo studies challenging. Phenanthroline (PhN) is an inexpensive, broad-spectrum inhibitor of metalloproteinases that functions by chelating the catalytic zinc ion, however its use in vivo has been limited due to suspected off-target effects. PhN is very similar in structure to phenanthrene (Phe), a well-studied poly aromatic hydrocarbon (PAH) known to cause toxicity in aquatic animals by activating the aryl hydrocarbon receptor (AhR). We show that zebrafish are more sensitive to PhN than Phe, and that PhN causes a superset of the effects caused by Phe. Morpholino knock-down of the AhR rescues the effects of PhN that are shared with Phe, suggesting these are due to PAH toxicity. The effects of PhN that are not shared with Phe (specifically disruption of neural crest development and angiogenesis) involve processes known to depend on metalloproteinase activity. Furthermore these PhN-specific effects are not rescued by AhR knock-down, suggesting that these are bona fide effects of metalloproteinase inhibition, and that PhN can be used as a broad spectrum metalloproteinase inhibitor for studies with zebrafish in vivo.

This review documents an emerging body of evidence concerning the neurological effect of polycyclic aromatic hydrocarbon (PAH) exposure, with regard to cognitive function and increased risk of neurodegeneration. Two electronic databases PubMed and Web of Science were systematically searched. The 37/428 studies selected included outcomes measuring cognitive function, neurobehavioral symptoms of impaired cognition, and pathologies associated with neurodegeneration from prenatal (21/37 studies), childhood (14/37 studies), and adult (8/37 studies) PAH exposure. Sufficient evidence surrounding prenatal exposure negatively impacting child intelligence, mental development, average overall development, verbal IQ, memory impairment, externalizing, internalizing, anxious, depressed behaviours, behavioural development and child attentiveness was found. Evidence concerning exposure during childhood and as an adult was scarce and highly heterogeneous, however presence of neurodegenerative biomarkers and increased concentrations of cryptic “self” antigens in serum and cerebrospinal fluid samples suggest a higher risk of neurodegenerative disease. Associations with lowered cognitive ability, and impaired attentiveness were found in children and memory disturbances, specifically auditory memory, verbal learning and general memory in adults. Although evidence is not yet conclusive and further research is needed the studies included supported the hypothesis that PAH exposure negatively impacts cognitive function and increases the risk of neurodegeneration in humans, and recommends considering the introduction of a variable “rural vs. urban” as covariate for adjusting analyses where the neurological functions affected (as result of our review) are outcome variables.

Fabric phase sorptive extraction (FPSE) combines the advanced material properties of sol–gel derived microextraction sorbents and the flexible and permeable fabric support to create a robust, simple and green sample preparation device. It simultaneously improves the extraction sensitivity, and the speed of the extraction by incorporating high volume of sponge-like porous sol–gel hybrid inorganic–organic sorbents into permeable fabric substrates that is capable of extracting target analytes directly from simple to complex aqueous sample matrices. For the first time, this technique was applied to the trace level determination of selected polycyclic aromatic hydrocarbons (PAHs) in environmental water samples using a non-polar sol–gel C18 coated FPSE media. Several extraction parameters were optimized to improve extraction efficiency and to achieve high detection sensitivity. Validation tests of spiked samples showed good linearity for four selected PAHs (R² = 0.9983–0.9997) over a wide range of concentrations (0.010-10 ng/mL). Limits of detection (LODs) and quantification (LOQs) were measured at pg/mL levels, 0.1–1 pg/mL and 0.3–3 pg/mL, respectively. Inter- and intra-day precision tests showed variations of 1.1–4.1% for four selected PAHs. Average absolute recovery values were in the range of 88.1–90.5% surpassed the recovery prediction model, with relative standard deviations below 5%. The developed FPSE-HPLC-FLD protocol was finally applied to analyze 8 environmental water samples. Out of four selected PAHs, fluoranthene (Flu) and phenanthrene (Phen) were the most frequently detected in four samples, at concentration levels of 5.6–7.7 ng/mL and 4.1-11 ng/mL, respectively followed by anthracene (Anth) and pyrene (Pyr) in two samples. The newly developed FPSE-HPLC-FLD protocol is simple, green, fast and economical, with adequate sensitivity for trace levels of four selected PAHs and seems to be promising in routine monitoring of water quality and safety.

Polycyclic aromatic hydrocarbons (PAHs) have emerged as promising materials for organic electronics, including organic photovoltaics (OPVs), organic field-effect transistors (OFETs), and organic light-emitting diodes (OLEDs). Particularly, non-hexagonal ring-fused PAHs are highly desirable due to their unique optoelectronic properties. Herein, a new redox-active azulene-perylene diimide triad 1 and its ring-fused counterpart, diazulenocoronene diimide 2, were synthesized and fully characterized by a combination of NMR, cyclic voltammetry, spectroelectrochemistry, and UV-visible absorption spectroscopy. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed to gain further insight into various electronic transitions. Interestingly, we found that the adaptive response to acids and bases manifests itself in a reversible two-color-change that can be attributed to changes in the chemical structures.

Polyaromatic hydrocarbons (PAHs) are widespread in the interstellar medium (ISM). The abundance and relevance of PAHs call for a clear understanding of their formation mechanisms, which, to date, have not been completely deciphered. Of particular interest is the formation of benzene, the basic building block of PAHs. It has been shown that ionization of neutral clusters can lead to an intra-cluster ionic polymerization process that results in molecular growth. Ab initio molecular dynamics (AIMD) studies in clusters consisting of 3–6 units of acetylene modeling ionization events under ISM conditions have shown maximum aggregation of three acetylene molecules forming bonded C6H6+ species: the larger the number of acetylene molecules, the higher the production of C6H6+. These results lead to the question of whether clusters bigger than those studied thus far promote aggregation beyond three acetylene units, and whether larger clusters can result in higher C6H6+ production. In this study, we report results from AIMD simulations modeling the ionization of 10 and 20 acetylene clusters. The simulations show aggregation of up to four acetylene units producing bonded C8H8+. Interestingly, C8H8+ bicyclic species were identified, setting precedent for their astrochemical identification. Comparable reactivity rates were shown with 10 and 20 acetylene clusters.

Fiber reinforced thermoplastics (FRTP), which is reinforced with glass or carbon fibers, are used to improve the mechanical strength of injection-molded products. However, FRTP has problems such as the formation of weld lines, the deterioration of the appearance due to the exposure of fibers on the molded product surface, and the deterioration of the strength of molded products due to the fiber orientation in the molded products. We have designed and fabricated an injection mold capable of melt flow control and induction heating and cooling that has the functions of both heating and cooling the injection mold as well as the function of controlling the melt flow direction using a movable core pin. In this study, the above-mentioned mold was used for the molding of carbon fiber reinforced semi-aromatic polyamide. As a result, we found that increasing the heating temperature of the mold and increasing melt flow control volume contribute to the prevention of the generation of a weld line and the exposure of fibers on the molded product surface, as well as to the formation of a flat surface and increased bending strength. The relationships of these results with the carbon fiber orientation in the molded products and the crystallization of semi-aromatic polyamide were also examined in this study.

A four-step synthesis of bifunctional, noncovalent organocatalysts based on the chiral (1R,2R)-cyclohexane-1,2-diamine scaffold containing a 1,2-benzenediamine H-bond donor was developed. Nucleophilic aromatic substitution of the 2-fluoronitrobenzene derivative with the commercial (1R,2R)-cyclohexane-1,2-diamine was followed by selective alkylation of the primary amino group, reduction of the aromatic nitro group and final derivatization of the primary aromatic amino group, i.e. acylation, sulfonation, reductive alkylation and arylation, leading to the four subtypes of organocatalysts. All new compounds were fully characterized. The prepared organocatalysts (32 examples) were tested in the Michael addition of acetylacetone to trans-β-nitrostyrene, yielding the addition product with incomplete conversions (up to 93%) and enantioselectivities of up to 41% ee.

Anthocyanins, the naturally occurring pigments responsible for most red to blue colours of flowers, fruits and vegetables, have also attracted interests because of their potential health effects. With the aim of contributing to major insights into their structure-activity relationship (SAR), we have evaluated the radical scavenging and biological activities of selected purified anthocyanin samples (PASs) from various anthocyanin-rich plant materials: two fruits (mahaleb cherry and blackcurrant) and two vegetables (black carrot and ‘Sun Black’ tomato). PASs from the above-mentioned plant material have been evaluated for their antioxidant capacity, using TEAC and ORAC assays. In human endothelial cells, we analysed the biological activity of different PASs by measuring their effects on the expression of endothelial inflammatory markers, including endothelial adhesion molecules VCAM-1 and ICAM-1. We demonstrated that all the different PASs showed biological activity. They exhibited antioxidant capacity of different magnitude, higher for samples containing non-acylated anthocyanins (typical for fruits) compared to samples containing more complex anthocyanins acylated with cinnamic acid derivatives (typical for vegetables), even though this order was slightly reversed when ORAC assay values were expressed on molar basis. Concordantly, PASs containing non-acylated anthocyanins reduced the expression of endothelial inflammatory antigens more than samples with aromatic acylated anthocyanins, suggesting the potential beneficial effect of structurally diverse anthocyanins in cardiovascular protection.

Protein immobilization for the functionalization of particles is used in various applications, including biosensors, lateral-flow immunoassays (LFIA), bead-based assays, and others. Common methods for the quantification of bound protein are measuring protein in the supernatant before and after coating and calculating the difference. This popular approach has the potential for a significant overestimation of the amount of immobilized protein since layers not directly bound to the surface (soft protein corona) are usually lost during washing and handling. Only the layer directly bound to the surface (hard corona) can be used in subsequent assays. A simplified amino acid analysis method based on acidic hydrolysis and RP-HPLC-FLD of tyrosine and phenylalanine (aromatic amino acid analysis, AAAA) is proposed to directly quantify protein bound to the surface of gold nano- and latex microparticles. The results are compared with indirect methods such as colorimetric protein assays, such as Bradford, bicinchoninic acid (BCA), as well as AAAA of the supernatant. For both particle types, these indirect quantification techniques show a protein overestimation of up to 1700% compared to the direct AAAA measurements. In addition, protein coating on latex particles was performed both passively through adsorption and covalently through EDC/sulfo-NHS chemistry. Our results showed no difference between the immobilization methodologies. This finding suggests that usual protein determination methods are no unambiguous proof of a covalent conjugation on particles or beads.

Nonporous corundum powder, known as an abrasive material in the industry, was functionalized covalently with protein binders to isolate and enrich specific proteins from complex matrices. The materials based on corundum were characterized by TEM, ESEM, BET, DLS, and zeta potential measurements. The strong Al-O-P bonds between the corundum surface and amino phosphonic acids are used to introduce functional groups for further conjugations. The common crosslinker glutaraldehyde was compared with a hyperbranched polyglycerol (PG) of around 10 kDa. The latter is oxidized with periodate to generate aldehyde groups that can covalently react with the amines of the surface and the amino groups from the protein via a reductive amination process. The amount of bound protein was quantified via aromatic amino acid analysis (AAAA). This work shows that oxidized polyglycerol can be used as an alternative to glutaraldehyde. With polyglycerol, more of the model protein bovine serum albumin (BSA) could be attached to the surface under the same conditions, and lower nonspecific binding (NSB) was observed. As a proof of concept, IgG was extracted with protein A from crude human plasma. The purity of the product was examined by SDS-PAGE. A binding capacity of 1.8 mg IgG per g of corundum powder was achieved. The advantages of corundum are the very low price, extremely high physical and chemical stability, pressure resistance, favorable binding kinetics, and flexible application.