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In this study, the effects of electron-withdrawing or electron-releasing groups in methyl benzoate esters, which are widely used in the fragrance industry, on the antioxidant and antibacterial activities of the compounds were investigated. Firstly, methyl benzoates with electron-withdrawing (NO2 and Cl groups) or electron-donating groups (CH3 and OCH3 groups) in the para position, which are commercial compounds, were synthesized, and extensively studied in terms of reaction conditions, and spectral data in their instrumental analysis methods. Then, the synthesized compounds were evaluated for their antioxidant, antibacterial, and cytotoxic activities. Among them, methyl 4-nitrobenzoate exhibited the highest inhibition against Staphylococcus aureus and Pseudomonas aeruginosa. Methyl 4-methoxybenzoate was selected for cytotoxicity evaluation due to its high antioxidant activity, and while the results indicated a dose-dependent decrease in cell viability, lower concentrations may still be considered for cosmetic applications. These findings suggest that antioxidant activity and cytotoxic activity are directly related to the electron density of the molecule. Therefore, this very up-to-date research covers many implications for organic chemistry, medicinal chemistry, biotechnology, and microbiology. Therefore, the results obtained may have great potential to be applied in the cosmetic industry and could be used as exceptionally useful information on alternative raw material selection for researchers in the fragrance industry. These results also suggest that methyl benzoates have potential as lead compounds for the development of novel antioxidant, antibacterial, and cytotoxic agents, but further studies are needed to fully explore their applications in various fields.

© 2023 Wiley Periodicals LLC.In this study, we have synthesized a series of 3-(pyridin-2-yl)-2-(pyridin-2-ylimino)thiazolidin-4-ol derivatives regioselectively from 2-iminothiazolidin-4-ones using LiAlH4 at room temperature. Due to the presence of the restricted rotation around the N3-Caryl single bond, the formation of M/P isomers was observed. The OH group of the hemiaminal was found to orient itself on the same side with pyridyl nitrogen during this restricted rotation to form an intramolecular hydrogen bond, which was demonstrated by the computational DFT study. This orientation presumably inhibited the occurrence of dehydration and stabilized the molecule.

The use of bio-based building blocks for the synthesis of polymers is increasing day by day. Among the bio-based building blocks, eugenol is a highly promising monomer for the preparation of thermoset materials. In this study, we combined thiol-ene photopolymerization (TEP) and thermal azide-alkyne cycloaddition click reactions to prepare eugenol-based thermally stable, P-, N-, and Si-containing networks. To this end, we synthesized a P-containing, eugenol-based monomer bearing azide group and a siloxane compound containing an alkyne group. By mixing these monomers with multifunctional thiols and by utilizing a dual-curing strategy, we managed to obtain optically transparent and thermally stable coatings with excellent adhesion to glass substrates. Thermal stability, optical transmittance, pendulum hardness, solvent resistance, and the adhesion performance of the coatings were evaluated. The gel contents of the thermoset materials were found to be over 95%. At 600 °C, the char yields of the dual-cured coatings were found to be over 30%. Coatings were also found to be resistant to acidic and basic conditions as well as solvents.

Today, usage of NSAIDs (nonsteroidal anti-inflammatory drugs) is very common. However, it has been proven by many studies that NSAIDs with free carboxylic acid group damage the GI (gastrointestinal) system. Our aim was to mask the acidic groups of NSAIDs to prevent or reduce their side effects while preserving their pharmacological effects. In this study, new amide derivatives of known NSAIDs, compounds 11–20, were synthesized to investigate their analgesic and anti-inflammatory effects using in vivo models. While compound 11 showed the most remarkable anti-inflammatory activity by 60.9% inhibition value at 200 mg/kg dose, compounds 11, 12, 15 and 18 had almost the same analgesic activity to that of acetylsalicylic acid (100 mg/kg) and flurbiprofen (100 mg/kg). In addition, all test compounds used at high dose (200 mg/kg, p.o) did not show any acute toxicity. COX-1 and COX-2 inhibition properties of all compounds were measured by biochemical methods and the interaction of the most active compounds with COX enzymes is elucidated by computer-assisted virtual screening methods. It was determined by in vitro enzyme inhibition studies that compound 11 and 13, synthesized from selective COX-1 inhibitors dexketoprofen and flurbiprofen, are selective COX-2 inhibitors. Moreover, compounds 11–13 were found to be non-mutagenic according to the mutagenicity assay using Salmonella TA98 and TA100 strains with and without metabolic activation. Finally, the prediction of ADMET profile and drug-likeness properties of compounds 11–20 were examined and the obtained results were evaluated.

Different parts of Rumex abyssinicus have been used as a traditional medicine by local community in Ethiopia. Root and root barks of this plant are used traditionally by people of Ilu Ababor (Ethiopia) to lower blood pressure, heal wound and treat stomach ache. This paper presents the isolation and characterization of compound from the root barks of Rumex abyssinicus and evaluation of its antibacterial activity. The powdered plant material was sequentially extracted using n-hexane, chloroform, acetone and methanol. The crude extracts and the isolated compound (RA-3) were evaluated against four bacterial strains: Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Salmonella thyphimurium as a potential antibacterial agent. Both the acetone and methanol crude extracts showed promising inhibitory effects against all the tested bacterial strains. The strongest inhibitory activity was observed for acetone extract against Staphylococcus aureus (21 mm) as compared to the standard Gentamicin (25 mm). The isolated compound showed inhibitory effect only on Staphylococcus aureus and Pseudomonas aeruginosa. The acetone extract was subjected to column chromatographic separation and resulted in the isolation of one pure compound (RA-3). The structure of this compound was characterized with the help of spectroscopic methods (IR and NMR). The isolated compound was characterized as Emodin based on spectroscopic data and in comparison with literature reports.

In this work, series of new chalcones derived from indole compounds were synthesized. In the first the compound 2-(1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)malonaldehyde was synthesized from the reaction of 1,1,2-trimethyl-1H-benzo[e]indole with Phosphoryl chloride in in the presence of (DMF). Schiff base (C2) was prepared by reaction of 2-(1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene) malonaldehyde with 3-amino acetophenone and then the compounds (C3-C6) were synthesized by reacting compound (C2) with a different aryl aldehyde in the presence of potassium hydroxide. The chemical composition of the compounds was confirmed and characterized by spectroscopic techniques (FT-IR, 1H-NMR and13C-NMR). Target compounds with different concentrations were investigated for their cytotoxic activity against the human breast cancer cell line MCF7. The results showed that the compounds had promising cytotoxic activity against MCF7 cell line especially compound (2) which showed the highest inhibition at the rate of 100 µg/mL among the tested compounds at varied concentrations.

Basil (Ocimum basilicum L.) is an important culinary herb and essential oil source widely recognized worldwide. The oil of the plant is beneficial for medicinal uses, and it has many biological activities such as insect repellent, larvicidal, and bactericidal. This study aimed to investigate basil's essential oil for its chemical composition and repellent activity. The essential oil of basil was extracted from fresh leaves by steam distillation method, and the chemical composition of the oil was determined by using GC/MS. Also, the repellent activity of the oil was tested against American cockroaches. Ebeling Choice-Box test with a little modification used in repellence test. The obtained results of chemical composition revealed that the amount of the oil contained forty-one chemical constituents (~97.1%); the major constituents were methyl cinnamate (25.3%), linalool (19.1%) and estragole (12.3%) as the major oxygenated monoterpenes. While α-bergamoten (5.3%), germacrene (4.6%), γ-cadinene (2.8%), and β-elemene (2.4%) were the main compounds in sesquiterpene hydrocarbons. Whereas, in oxygenated sesquiterpenes, Tau-cadinol (4.3%) was an important compounds and ocimene the highest compound in monoterpene hydrocarbons. The obtained results also indicated that the essential oil had good activity against the P. American, at a 100% concentration of oil; the repellence reaches 100% after 1 h. The IC50 and IC90 values of basil essential oil against P. Americans were 53.0 and 83.0%, respectively. The major compound methyl cinnamate which exists in basil essential oil is a very important compound and could be used in a wide area of industrial applications as repellent products, medicinal products, and cosmetics.

A new series of 4-methyl-2-{2-[(aryl)methylidene]hydrazinyl}-1,3-thiazole (2a-i), N-(4-acetyl-5-aryl)4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamides (3a-b) and N-(5-(4-(substituted phenyl)-1,3,4-thiadiazol-2-yl)acetamides (3c-i) were synthesized by the reaction of 2-((aryl)methylene)hydrazine-1-carbothioamides (1a-i) and acetic anhydride or chloroacetone. The cytotoxic activities of the products were evaluated by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay against Hela cervical cancer, MCF-7 breast carcinoma and HT-29 colorectal cancer cell lines. Thiazole based compounds 2a, 2b, 2f and 2i, bearing 4-bromothiophen-2-yl, naphthalen-2-yl, 2,5-difluorophenyl and 4-(trifluoromethoxy)phenyl moieties, respectively; also N-(4-acetyl-5-(naphthalen-2-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide (3b) and N-(5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl)acetamide (3d) exhibited significant anticancer activity against three cancer cell lines. Moreover, these active compounds were further evaluated by apoptotic protein levels. The results showed that these thiazole and thiadiazole compounds induced apoptosis of cancer cells.

The use of natural materials began to be developed on a large scale in chemistry. Natural substances are safe to use, easy to find, and cheaper. Biological indicators in volumetric titration are the focus of experts. This study presented a visualization of the alkalimetric titration of a weak acid with a strong base with the addition of natural indicators. Hibiscus rosa-sinensis L. and Clitoria ternatea L. flowers were used as titration indicators for diprotic acid, namely oxalic acid, with a strong base, sodium hydroxide. The phenolphthalein indicator was chosen as an indicator to compare. Maceration of flower crowns aimed to obtain biological indicator extracts. The titration was held three times for the Hibiscus flower, Clitoria flower, and phenolphthalein. The addition of flower crown extract to oxalic acid gave a pink color to the solution. There was a color change to clear when titrated. The color change indicated the endpoint of the titration. The addition of the flower crown extract indicator showed a relatively similar curve to the phenolphthalein indicator during titration. This result showed that the two flower crown extracts had the same function as phenolphthalein as an indicator for alkalimetric titration of a weak acid with a strong base.

In this study, the enzyme activity of anthraquinone compounds which were synthesized beforehand by our research group was investigated. Molecular docking studies were performed for compounds 1-(4-aminophenylthio)anthracene-9,10-dione (3) and 1-(4-chlorophenylthio)anthracene-9,10-dione (5). Compound 3 was synthesized from the reaction of 1-chloroanthraquinone (1) and 4-aminothiophenol (2). Compound 5 was synthesized (1) from the reaction of 1-chloroanthraquinone (1) and 4-chlorothiophenol (4). Anthraquinone analogs (3, 5) were synthesized with a new reaction method made by our research group (2). Inhibitory effects of compounds 3 and 5 were investigated against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes which are related to Alzheimer’s Disease (AD). Compounds 3 and 5 exhibited strong anti-acetyl- and butyryl-cholinesterase inhibition activities than galanthamine used as standard compound (92.11±1.08 and 80.95±1.77 %, respectively). The EHOMO-ELUMO values, molecular descriptors, and the calculated UV-Vis spectra of anthraquinone derivatives were computed by B3LYP/6-31+G(d,p) levels in the CHCl3 phase. Based on the fluorescence property of the anthraquinone skeleton, the fluorescence activity of the bioactive anthraquinone analogue (5) was investigated. MTT test was performed to determine the cytotoxic effects of thioanthraquinone molecules 3 and 5. In MTT analyses, 3 compounds showed the highest effect against Ishikawa cells at a dose of 10 µg/mL, while compound 5 showed the highest effect at a dose of 50 µg/mL. The cell viability for compound 3 was 84.18% for 10 µg/mL and the cell viability for compound 5 was 75.02% for 50 µg/mL.

1,1,2-trimethyl-1H-benzo[e]indole is an important heterocyclic compound, its available in reasonable price and can easily modified to make a good intermediate for other derivatives. That is quite enough reasons to use as starting material for a new series of compounds with other biomolecules such as monosaccharides after simple modification. The target molecules show biological activity. So, the current work is aiming to improve the activity and the properties of the benzo indole by attaching with a naturally occurring, and biodegradable compounds represented by 2-deoxy-2-amino -d-glucose and 6-deoxy-6-amino-d-glucose to synthesis both mono and di-saccharides derivatives of benzo indole. Two steps synthesis were used for mono-saccharide derivatives and three steps for di-saccharide derivatives, the first is the functionalization of 1,1,2-trimethyl-1H-benzo[e]indole [1] via the reaction with POCl3 to produce 2-(1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene) malonaldehyde [2] with two aldehydes reaction centers, while in the second step the latter was coupled with sugar via amino groups to get the two monosaccharide derivatives [3,5], while the disaccharides molecules [4,6] taken one more step with harder conditions to overcome the steric hindrance at the other reaction center. The purity and characterization of the target molecules was confirmed using spectroscopy methods including 1H NMR and 13 NMR. The synthesized compound shows a good biological activity as antibacterial antifungal.

Docosahexaenoic acid (DHA), a representative omega-3 (ω-3) polyunsaturated fatty acids, undergoes metabolism to produce biologically active electrophilic species. 17-Oxo-DHA is one such reactive metabolite generated from DHA by cyclooxygenase-2 and dehydrogenase in activated macrophages. The present study was aimed to investigate the effects of 17-oxo-DHA on ultraviolet B (UVB)-induced oxidative stress, inflammation, and carcinogenesis in mouse skin. UVB-induced epidermal cell death was ameliorated by topically applied 17-oxo-DHA. Topical application of 17-oxo-DHA onto hairless mouse skin inhibited UVB-induced phosphorylation of the proinflammatory transcription factor, STAT3 on tyrosine 705 (Tyr705). The 17-oxo-DHA treatment also reduced the levels of oxidative stress markers, 4-hydroxynonenal-modified protein, malondialdehyde, and 8-oxo-2′-deoxyguanosine. The protective effects of 17-oxo-DHA against oxidative damage in UVB-irradiated mouse skin were associated with activation of Nrf2. 17-Oxo-DHA enhanced the engulfment of apoptotic JB6 cells by macrophages, which was related to the increased expression of the scavenger receptor CD36. The 17-oxo-DHA-mediated potentiation of efferocytic activity of macrophages was attenuated by the pharmacologic inhibition or knockout of Nrf2. The pretreatment with 17-oxo-DHA reduced the UVB-induced skin carcinogenesis and tumor angiogenesis. It was also confirmed that 17-oxo-DHA treatment significantly inhibited the phosphorylation of the Tyr705 residue of STAT3 and decreased the expression of its target proteins in cutaneous papilloma. In conclusion, 17-oxo-DHA protects against UVB-induced oxidative cell death, dermatitis, and carcinogenesis. These effects were associated with inhibition of STAT3-mediated proinflammatory signaling and also activation of Nrf2 with subsequent upregulation of antioxidant and anti-inflammatory gene expression.

Günümüzde kansere ve diğer mikroorganizmalara karşı kullanılan ilaçların pek çoğunun biyoyararlanımının düşük olması ve başta toksisite gibi yan etkilerinden dolayı tedavide yeni ilaçların varlığına ihtiyaç duyulmaktadır. Her gün artan sayıda anti-kanser veya antibiyotik ilaç geliştirilmesine rağmen, bu ilaçların seçiciliklerinin düşük olması ve çoklu ilaç direncinin kazanılması, başarılı bir tedavinin önüne geçmektedir. Bu nedenle, tümör hücrelerini veya mikroorganizmaları yok etmek veya en azından çoğalmasını durdurmak için yeni, güçlü ve seçici ajanlarının keşfine önemli ölçüde ihtiyaç duyulmaktadır. Bu çalışma kapsamında 18 adet yeni 1,2,3-triazol/arilidenhidrazid yapısında hibrit bileşik sentezlendi. Elde edilen 18 yeni bileşiğin (17a-r) Staphylococcus Aureus ve Escheric1hia coli bakteri türleri ve Candida albicans mantar türü üzerindeki anti-mikrobiyal etkinlikleri araştırıldı. Elde edilen sonuçlar anti-mikrobiyal ilaç seftazidim ile karşılaştırıldı. Bileşiklerin anti fungal etkinliklerinin MİK değerleri 62.5 μM olarak bulunurken anti-bakteriyel etkinliklerinin MİK değerleri 62.5-125 μM olarak belirlendi.

In this study, a total of 13 compounds (5-17) were synthesized starting from oleanolic acid (OA), a natural triterpenoid. Five new compounds (10, 11, 12, 15 and 17), are the main targets of the study, which were synthesized for the first time in this work as oxime, imine and hydrazone derivatives of OA. Other compounds were previously obtained as natural or semi-synthetically. NMR and HRMS analyses were carried out to determine of structures of all the synthesized molecules. The inhibitory effects of the synthesized compounds on acetylcholinesterase (AChE), human carbonic anhydrase I (hCA I) and II (hCA II) were evaluated. Compounds 13 and 15 showed better inhibitory activity than the other compounds against both hCA I and hCA II isoenzymes, which are competing with AZA. In addition, compound 15 showed the strongest AChE inhibitory activity among all the tested compounds, with an IC50 value of 34.46 mu M.

Monoamine oxidases (MAO) are a family of enzymes responsible for the oxidative deamination of endogenous and exogenous amines. The MAO enzyme, which consists of two isoforms named MAO-A and MAO-B, are important targets in the development of drugs for the treatment of neuropsychiatric and neurodegenerative disorders due to their role in the metabolism of neurotransmitters. It is known that MAO-B inhibitors are frequently preferred in the treatment of the most common neurodegenerative diseases such as Parkinson's disease (PD) and Alzheimer's disease (AD). For this purpose, within the scope of this study, new propargyl-chalcone derivatives were synthesized and the structure determinations were elucidated using 1H-NMR, 13C-NMR and high-resolution mass spectroscopy (HRMS) methods. The data obtained as a result of in vitro activity tests showed that the compound 2c is promising as a selective MAO-B inhibitor. With the molecular modelling studies carried out, the binding and interaction points of the compound 2c in the hMAO-B enzyme active site were determined., Monoamin oksidazlar (MAO), endojen ve ekzojen aminlerin oksidatif deaminasyonundan sorumlu enzim ailesidir. MAO-A ve MAO-B olarak isimlendirilen iki izoformdan oluşan MAO enzimi nörotransmiterlerin metabolizmasındaki rollerinden dolayı nöropsikiyatrik ve nörodejeneratif bozuklukların tedavisi için ilaçların geliştirilmesinde önemli hedeflerdir. Özellikle MAO-B inhibitörlerinin Parkinson hastalığı (PH) ve Alzheimer hastalığı (AH) gibi en sık görülen nörodejeneratif hastalıkların tedavisinde sıklıkla tercih edildiği bilinmektedir. Bu amaçla, bu çalışma kapsamında yeni propargil-şalkon türevleri sentezlenmiş ve yapı tayinleri 1H-NMR, 13C-NMR ve yüksek çözünürlüklü kütle spektroskopisi (HRMS) metotları kullanılarak aydınlatılmıştır. İn vitro aktivite testleri sonucunda elde edilen veriler 2c kodlu bileşiğin MAO-B inhibitörü olarak umut vaat edici olduğunu ortaya koymuştur. Gerçekleştirilen moleküler modelleme çalışmaları ile bileşik 2c’nin hMAO-B enzim aktif bölgesindeki bağlanma ve etkileşim noktaları belirlenmiştir.

In this study, nine novel 3-alkyl-4-[3-methoxy-4-(p-nitrobenzoxy)-benzylideneamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (3) were synthesized from the reactions of 3-alkyl-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones (1) with 3-methoxy-4-(p-nitrobenzoxy)-benzaldehyde (2), which was synthesized by the reaction of 3-methoxy-4-hydroxybenzaldehyde with p-nitrobenzoyl chloride by using triethylamine. The structures of novel compounds were established from IR, 1H NMR and 13C NMR spectral data. In addition, in vitro antibacterial capacities of the new compounds were determined against six bacteria by mains of agar well diffusion method. Furthermore, newly synthesized compounds antioxidant capacities were performed by three different methods., Bu çalışmada, dokuz yeni 3-alkil-4-[3-metoksi-4-(p-nitrobenzoksi)-benzilidenamino]-4,5-dihidro-1H-1,2,4-triazol-5-on (3) bileşiği 3-alkil-4-amino-4,5-dihidro-1H-1,2,4-triazol-5-on (1) bileşiklerinin 3-metoksi-4-hidroksibenzaldehidin trietilaminli ortamda p-nitrobenzoil klorür ile reaksiyonundan elde edilen 3-metoksi-4-(p-nitrobenzoksi)-benzaldehid (2) ile reaksiyonundan sentezlenmiştir. Sentezlenen yeni bileşikler IR, 1H NMR ve 13C NMR spektrum verileri kullanılarak karakterize edilmiştir. Çalışmada, ayrıca, yeni bileşiklerin in vitro antibakteriyal etkinlikleri altı bakteriye karşı agar kuyucuk yöntemi ile belirlenmiştir. İn vitro ortamda sentezlenen yeni bileşiklerin antioksidan aktiviteleri üç farklı yöntemle tayin edilmiştir.

Treatment for microbial infections still remains an important health problem for researchers around the world. Despite a broad range of antimicrobial drugs today, there are certain obstacles associated with the use of antimicrobial agents such as drug resistance and toxicity. Thus, medicinal chemists concentrate on designing novel antimicrobial drugs. In the search for new antimicrobial agents; 1,3,4-oxadiazole compounds have come forward due to their hydrolytic stability, good chemical and thermal stability. In the scope of this work, 2-(6-chloropyridin-3-yl)-5-(substitutedphenyl)-1,3,4-oxadiazole (4a–4i) were synthesizedusing 6-chloro-N'-(substitutedbenzoyl)nicotinohydrazide (3a–3i). These compounds were screened for their antimicrobial activities against as gram-positive bacteria S. aureus, E. faecalis, as gram-negative bacteria E. coli, P. aeruginosa, as yeast C. parapsilosis, C. albicans, C. glabrata. Among the 1,3,4-oxadiazole compounds, 4h against E. faecalis and 4b, 4f and 4g against E. coli have been found to exhibit as much as potency chloramphenicol with MIC50 values of 62.50 µg/mL.

In this study, the synthesis of various geranyloxycoumarin derivatives from hydroxycoumarin was obtained in good yield under mild conditions using Cs2CO3. In the synthesis of geranyloxycoumarin derivatives, when 4-hydroxycoumarin reacts with geranyl bromide under mild conditions due to tautomeric keto-enol forms, 4-geranyoxycoumarin (3a), C-alkylated coumarin (3aa) and structure 3ab formed by hydrolysis and decarboxylation from 3aa were formed products. In addition, the alkylation reaction of 3-OH, 5-OH, 6-OH, 7-OH, and 8-OH coumarin except 4-OH group produced a high yield.

A series of novel 8-(aryldiazenyl)quinolones have been synthesized effectively with excellent yields by using 8-amimoquinoline and a variety of aryldiazonium salts containing electron donating and withdrawing moieties in aqueous media. The structure of the synthesized azo dyes have been characterized by NMR, FTIR, mass spectroscopy and UV–Vis techniques.

Corneal ulcer, which is brought on by a breach in the epithelial barrier, is a dangerous infection of the avascular corneal stroma. New treatment strategies are needed, suppressing the aggressive nature of the disease and including a combination of different drugs. In this study, vancomycin (VAN) and fluconazole (FLU) dual-drug loaded dual-layered polyvinyl alcohol and gelatin (PVA/GEL) nanofibrous patches are produced by electrospinning. Scanning electron microscopy (SEM) images show smooth surfaces are obtained for both pure and drug-loaded nanofibrous patches. The tensile test results report that loading the FLU and VAN separately into the PVA/GEL patches decrease both the tensile strength and elongation at break and it is further reduced when combining two drug-loaded layers in one patch. According to drug release results, the FLU and VAN-loaded nanofibrous patches show a controlled release profile extending up to 96 h. Moreover, PVA/GEL/FLU, PVA/GEL/VAN, and PVA/GEL/FLU/VAN nanofibrous patches display significant antimicrobial activity against Candida albicans and Staphylococcus aureus. SEM, 4\"-6diamidynofenyloindol (DAPI) staining, and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay show that PVA/FLU and PVA/GEL/FLU/VAN nanofibrous patches have a superior effect on NIH3T3 cell spreading and proliferation. The novelty of this study lays in the development of a potential dual drug rapid treatment for corneal ulcers of aggressive nature.

In this study, a series of coumarin-BODIPY molecules were synthesized using a Sonogashira cross-linking reaction. The effects of electron withdrawing and electron donating moieties on electrochemical and optical properties were supported by results of density functional theory calculations, and energy transfer mechanisms were investigated. The band gap value decreased from 2.0 eV to 1.6 eV due to reversible oxidation of the extra dimethylamino subunit at lower potential. Besides, characteristics of the crystal structures were investigated with single-crystal X-ray diffraction, and crystallinity was supported by differential scanning calorimetry. In addition, when the thin film surface morphologies were examined, it was clearly observed that the N,N-dimethylamino group on the coumarin-BODIPY dyad (B3) formed large-scale domains due to its crystalline behavior. As a result, Förster-type energy transfer was observed for coumarin-BODIPY dyads containing different electron withdrawing and donating subunits.

Thiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1, 3-TH ligands may represent an alternative to the standard platinum- based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral Zn(II) complexes (1–3) with pyridine-based TH ligands HLS1‒3 in order to investigate the influence of the ligands charge on the structure and intermolecular interactions in the solid state, and consequently photophysical properties. The deprotonation of the ligands mainly affects the relative energies of electronic levels in the complexes, compared to cationic counterparts, resulting in similar photoluminescence mechanisms and quantum yields with a small shift in emission energy. The influence of the substitution at the ligands’ periphery on the selected quantum molecular descriptors of the complexes is localized to the substitution site. Also, the substituents did not considerably influence the redox responses of the complexes. However, predominant spectral changes were observed in the course of the first reduction and oxidation processes which caused distinct spectral color changes indicating their possible functionality for electrochromic applications. In addition, complex 1 showed antiproliferative activity with GI50 values below 2 µM on all tested cancer cell lines.

© 2022 Elsevier LtdIntegrated gasification combined cycle (IGCC) is a power generation technology that partially oxidizes solid feedstocks to produce syngas, drives high-efficiency gas turbines (GT), recovers waste heat and uses it to generate electricity, etc. In this study, a new IGCC model for an entrained bed gasifier/GT/Kalina cycle for CO2 co-gasification was developed for the first time using Aspen HYSYS, and an energy and exergy analysis of this model was performed to provide decision makers with a comprehensive overview of whether the energy conversion system is designed to be sustainable from a variety of perspectives. The newly proposed integrated system was used to study the CO2/air gasification process of the biochar/waste tyre blend. Although entrained bed gasifiers have been modelled using different software and different fuels, no study on the Kalina cycle integrated biochar/waste tyre co-gasification process using Aspen HYSYS has not been reported yet. In addition, most parametric studies on integrated Kalina combined cycles focus on the influence of the Kalina cycle or a few operating factors. However, in this study, the effects of a variety of gasification process operating conditions on the performance of the combined cycle are considered. The equivalence ratio (ER) for a high-efficiency integrated system ranged from 0.23 to 0.25, and the CO2 content in the gasifying agent was in the range of 5–7%. While increasing the waste tyre content in the feedstock enhances H2 production, operating the entrained bed gasifier at relatively low temperature is more efficient. Increasing the ammonia content in the working fluid also improves efficiency, and the inlet pressure of the Kalina turbine should be maintained at 28 bar to maximize performance. While the integration of the GT enables significant power generation, optimizing the operating conditions of the gasifier, which has the highest exergy dissipation, is critical to the performance of the integrated system.

Isatin or 1H-indole-2,3-dione or 2,3-dioxindole is an indole derivative. Isatin and its analogs are synthetically useful substances where they may be utilized for the production of a broad range of heterocyclic molecules, which are depicting a wide reach of biological and pharmacological activities, as well as anticancer, anti-inflammatory, antiviral, anticonvulsant, anti-TB, antidiabetic, anti-microbial, antitumor, antimalarial, anti-HIV, antibacterial, anti-analgesic, and antiplasmodial activities. Isatin is a precursor for many synthesized therapeutic molecules that are amenable to pharmacological action and have excellent biological potential. Isatin has a magnificent scaffold for both the natural and synthetic construction of molecules. These molecules are being used in drug therapy such as anticancer, antibiotic, and antidepressant drugs and have many more clinical applications. Due to its privileged scaffolding, the synthetic versatility of isatin has produced many structurally diverse derivatives, including the substitution of mono-, di- and tri- substitution of the aryl rings A and those derived by derivation of isatin nitrogen and C2 and C3 carbon moieties. As a result, improving and expediting access to isatin-related molecules is a challenging study in synthetic organic chemistry.

The potential of cotton seeds to serve as animal feed in reducing feed-food competition between humans and animals was examined in this research. Proximate analysis, mineral characterization, and fatty acid composition of the seed were determined using standard analytical techniques. The protein content of cotton seeds found to be 24.81 ± 0.42% was observed to be above the protein requirement of 18% by rabbits and chicken and 12% for goats and sheep. The combination source of carbohydrates, protein, and fat in which cotton seed is endowed offers an adequate nutritional diet for animals. Carbohydrate and crude fat accounted for 19.30 ± 0.1% and 24.81 ± 0.42%, respectively, making cotton seed a valuable source of lipids, protein, and carbohydrate, all major nutrients needed to maintain animals' proper maintenance. The most abundant mineral was potassium (K), at 126.70 ± 5.77 mg/g, which can help maintain body weight. It could assist in the modulation of electrolyte and water balance in the system. Quality assessments indicate that cotton seed, when properly processed, can serve as an affordable alternative to soybean, maize, and groundnut and is currently used as the major sources of animal protein and energy, thereby reducing the competition between feed and food.

© 2022 Informa UK Limited, trading as Taylor & Francis Group.There are many studies in the literature on thymoquinone (TQ)-related cancer cells and models, and there is no relevant study investigating the efficacy of the oxime derivative of TQ (TQ-Ox). This study synthesized TQ-Ox and examined its cytotoxic, genotoxic and apoptotic properties in ovarian cancer cells. The structure TQ-Ox was confirmed with NMR. The cytotoxicity by luminometric ATP, intracellular reactive oxygen species (iROS) by fluorometric, intracellular calcium (iCa2+) by fluorometric, mitochondrial membrane potential (MMP) by flow cytometry, glutathione (GSH) levels with GSH/GSSG-Glo assay, DNA damage by comet assay, and apoptosis by acridine orange/ethidium bromide dye were determined. Concentrations of TQ-Ox were statistically increased cytotoxicity, DNA damage, apoptosis, iROS, and iCa2+ in a concentration-dependent manner (p < 0.001). Besides, MMP and GSH levels also decreased statistically significantly (p < 0.001) with increasing concentrations. TQ-Ox would be an effective treatment option by increasing cytotoxicity, genotoxicity, and apoptosis in ovarian carcinoma.

Adsorption of N2 on mixed-ligand benzoic acid and 1, 10-phenanthroline ligand of Mn(II) metal-organic framework (MOF)–nanoparticles were demonstrated. The synthesized nanostructures are characterized by techniques such as scanning electron microscopy (SEM), fourier-transform infrared spectroscopy (FT-IR), and UV-visible spectrophotometry (UV-Vis). The pore size distribution and adsorption capacity of the synthesized MOF were investigated experimentally by measuring the N2 adsorption isotherm at 77.3 K, and the resulting data were fitted to Brunauer-Emmett-Teller (BET), de Boer, Dubinin-Radushkevich (DR), Banet-Joyner-Halenda (BJH), Horvath-Kawazoe (HK), and also applied to Density Functional Theory (DFT) models. Excitation of the Mn-MOF nanostructure resulted in an emission at 400 nm. The DSC study reveals that this molecule has a good chemical stability. The FTIR measurement shows a variety of functional groups that are highly coordinated. Moreover, the adsorption properties evaluated by several adsorption models compared with current adsorbent materials show Mn-MOF has superior thermal stability, a high surface area, and pore openings. Because of these findings, Mn-MOF appears to be a viable material for storing gases and energy, whether at low or high pressures.

Targeted tricyclic quinolines were prepared from the corresponding aminoindazolic and indolic derivatives as starting materials using two comparative methods; conventional heating and microwave irradiation. We noticed that the syntheses of 5-amino-1-methylindazole and 5-aminoindole were abandoned due to their conversion to fluorescent products one week after free contact with air and acetone. As a result of this finding, we decided to condense the relevant amine with acetone or mesityl oxide to confirm our hypothesis. We show that the amine is converted to the derived quinoline through these condensation processes. Subsequently, this reaction was extended to the aminoindazole derivatives of positions 5 and 6, yielding the appropriate quinoline derivatives. Similarly, 5-aminoindole exhibited the same reactivity. By applying the corresponding NMR and centesimal techniques, the resulting structures were identified.

Bone defects caused by diseases such as bone diseases, tumours, and traumas negatively affect the lives of millions of people around the world. Bone tissue engineering offers a new approach to repairing bone defects. Here, a novel bioactive Polyvinyl alcohol (PVA)/ Whey protein isolate (WPI)/ Hydroxyapatite (HA) composite scaffolds with Gentamicin (GEN)-loaded at varying rates were successfully fabricated by 3D printing technology. The strong interaction between PVA, WPI, HA, and GEN were proved with Fourier transform infrared spectroscopy (FT-IR) and X-ray diffraction (XRD). When the scanning electron microscopy (SEM) images of the produced 3D composite scaffolds were evaluated, it can be said that 3D composite scaffolds with the desired porosity and structure for bone tissue engineering applications were obtained. The 3D PVA/WPI/HA/12GEN composite scaffold was fabricated excellently with its 675 μm pore size. Compression tests revealed that the 3D composite scaffold had a compressive strength of 1.28–1.22 MPa and strain of % 12.89–8.70 and thus met the mechanical desirables of human trabecular bone. Moreover, the compressive strength and strain values of the scaffolds were decreased slightly due to adding the GEN drug. According to the Differential scanning calorimetry (DSC) analysis, it was determined that the highly crystalline structure of PVA was disrupted by adding GEN to the composite scaffolds. It was also observed that the addition of GEN to the scaffold did not significantly affect the swelling and degradation behaviour, and the scaffolds degraded by approximately 55% on the 10th day. The scaffolds exhibited a controlled release profile up to 240 and 264 h and were released with the Korsmeyer-Peppas kinetic model according to the highest correlation number. Cell analysis revealed that biocompatible structures were produced, and osteoblasts formed filopodia extensions, resulting in healthy cell attachment. According to these results, 3D GEN-loaded PVA/WPI/HA composite scaffolds may be a promising innovation for bone defect repair in bone tissue engineering applications.

The novel and highly soluble cobalt(II), copper(II) and manganese(III) phthalocyanines ((Pc-Co, Pc-Cu, and Pc-Mn) bearing 3-(5-(3,5-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol have been synthesized and characterized by FT-IR, NMR, UV-Vis and mass spectroscopic methods. Additionally, electrochemical and spectroelectrochemical properties of these phthalocyanine compounds were investigated. Due to the redox inactivity of the Cu2+ central cation of (Pc-Cu), Pc based reductions and oxidation processes are recorded. [(CoPc2-)-Pc-II]/[(CoPc2-)-Pc-I](1-) and [(CoPc2-)-Pc-II]/[(CoPc2-)-Pc-III](1+) couples for the central metal redox reactions, and [(CoPc2-)-Pc-I](1-)/[(CoPc3-)-Pc-I](2-), [(CoPc3-)-Pc-I](2-)/[(CoPc4-)-Pc-I](3-) and [(CoPc2-)-Pc-III](1+)/[(CoPc1-)-Pc-III](2+) couples for the Pc based reduction and oxidation are observed respectively with (Pc-Co). Like (Pc-Co), (Pc-Mn) also illustrated metal-based reduction processes, [Cl1--(MnPc2-)-Pc-III]/[Cl1--(MnPc2-)-Pc-II](1-) and [Cl1--(MnPc2-)-Pc-II](1-)/[Cl1--(MnPc2-)-Pc-I](2-) in addition to the Pc based [Cl1--(MnPc2-)-Pc-I](2-)/[Cl1--(MnPc3-)-Pc-I](3-), [Cl1--(MnPc3-)-Pc-I](3-) /[Cl1--(MnPc4-)-Pc-I](4-) and [Cl1--(MnPc2-)-Pc-III]/[Cl1--(MnPc1-)-Pc-III](1+) redox couples were also recorded. These redox mechanisms were supported with the characteristic spectral changes observed during the in-situ spectroelectrochemical measurements. Especially metal-based electron transfer changes caused distinct spectral and color changes, which are the desired properties of the complexes for the possible opto-electrochemical applications. (C) 2022 Elsevier B.V. All rights reserved.

Hydrogen sulfide (H2S) is a biologically relevant gaseous molecule, which involves in a wide variety of physiological and pathological processes. Thus, detection of H2S is highly valuable in order to clarify its complex roles. In this study, a new benzothiazole-based donor-acceptor type H 2S selective chemodosimeter (HP-1) was synthesized and its H2S detection capabilities were investigated in aqueous solutions. HP-1 exhibited a red-shifted absorption signal at 530 nm and a near-infrared (NIR) fluorescence peak at 680 nm as a result of enhanced intramolecular charge transfer (ICT) in the presence of H2S, which enabled a selective and very rapid ratiometric fluorescent detection. HP-1 was also showed to be highly sensitive toward H2S with a very low limit of detection value., NA

Infectious diseases caused by bacteria has become a global health issue, especially antibacterial drug resistance. The most serious concern with antibacterial resistance is that some bacteria became resistant to almost all antibacterial drugs, which makes them less effective. Archidendron jiringa is one of the most potent medicinal plants to be developed as a new source of antibacterial components. In current study, based on the antibacterial assay-guided approach, the separation of bioactive fractions of A. jiringa stem roots was carried out through several stages including isolation, fractionation, and characterization. The stages of isolation of secondary metabolites were conducted by gradually extraction followed by fractionation using chromatographic methods. The antibacterial potential of extracts was evaluated by the disc diffusion and microdilution methods employing the resazurin assay against one Gram-negative resistant bacteria, Escherichia coli, and one Gram-positive bacteria, Bacillus subtilis. Among three extracts obtained, ethyl acetate and methanol extracts demonstrated the most significant antibacterial effects, while no antibacterial activity was showed on the hexane extract. The fractionation of ethyl acetate extract led to the isolation of the most bioactive fractions (E2815 and E2816) with the MIC’s values ranging of 12.5–25 µg/mL for both resistant bacteria. Due to less quantity, only the fraction E2816 was subjected to analysis by 1H-NMR spectroscopy. The results exhibited that the bioactive fraction was obtained as a mixture of at least three major constituents. However, the purification of the bioactive fraction is required, to further clarify the antibacterial compound that can be utilized as a new promising antibacterial agent. The bioassay-guided separation approach and the dye resazurin as an indicator of the growth of bacteria are applied for the first time for the phytopharmacological investigation from this plant. The present study represented the most effective method for subsequent finding and isolation of potential novel antibacterial constituents from A. jiringa stem roots, in particular against the multi-drug resistant strains.

© 2022, Publishing House of the Romanian Academy. All rights reserved.Adding an antimicrobial effect to the papers used in the cardboard packaging industry can extend the life of the packed product. Paper, due to its structure, has the property of being ignited quickly. Enhancing the properties of paper, the combination of antimicrobial protection, low flammability and good printability to the paper will expand its usage area in the packaging industry. In this study, barium borate was synthesized in order to impart low flammability to paper. Different combinations of rosemary oil and barium borate were mixed with binding starch in varying amounts, and formulations were prepared. With these mixtures, 80 g/m2 paper was coated using a laboratory-type paper coating machine. The antimicrobial properties of the paper were investigated by performing the disk diffusion antimicrobial test against E. coli and S. aureus bacteria. The Limiting Oxygen Index (LOI) test was performed to determine the low flammability of the paper. Color, gloss, contact angle and surface energy tests were performed for the printability properties of the paper. As a result, the coatings containing formulations of barium borate and rosemary oil, applied to the paper surface, succeeded in imparting antimicrobial and low flammability properties to the papers, while also improving the printability features.

© 2022, Publishing House of the Romanian Academy. All rights reserved.This study aimed to determine whether 100% recycled papers can replace papers made from virgin fibers for the purpose of electrophotographic printing for packaging by evaluating the recycling potential of electrophotographically printed paper using the INGEDE and the washing deinking method. In the first part of the study, typical office copy paper, containing up to 30% recycled fiber, was printed electrophotographically. In the second part of the study, the deinked pulp was then used to prepare the handsheets for deinking evaluation, paper analysis and printability analysis. The print quality of the recycled papers was highly encouraging, as the results were comparable and, in some cases, identical to those of papers manufactured from virgin fibers.

© 2022 Indian Chemical SocietyThe main aim of this study is to formulate the combination of the bioactive composite containing chitosan/β -tricalcium phosphate (CH/β-TCP) as potential drug delivery platforms for the sustained release of antibiotics. Herein the mode of amoxicillin (AMX) maintained in the β-TCP/chitosan composite was characterized using XRD, FT-IR to confirm the phase purity and functional groups. SEM was used to examine the size and shape of particles. The SEM images of the biocomposites after drug release confirmed that they are biodegradable. In vitro drug release experiments in PBS (pH 7.4) revealed a sustained release profile in a neutral medium. Drug release profiles were evaluated according to five different kinetic models including Zero Order, First Order, Higuchi, Hixon Crowel, and Korsmeyer-Peppas. The release profile was best expressed by the Korsmeyer Peppas model because the results showed high linearity. Overall, the positive effect of chitosan coating on the drug elution profile of β-TCP as carriers for the controlled delivery of antibiotics was regarded as biocompatible for the controlled drug delivery system.

The synthesis of chromogenic mono acid-type azocalix[4]arene derivatives is described in this study. From p-tertbutylcalix[4]arene, which was made with p-tert-butylphenol as a starting material, a new family of azocalix[4]arene monocarboxylic acid derivatives (5a-d) were synthesized. Four azocalix[4]arenes (3a-d) were produced by attaching 4-methoxy-, 4-ethyl-, 4-chloro-, and 4-bromoaniline to 25,26,27,28-tetrahydroxycalix[4]arene through a diazo-coupling reaction. To obtain partial cone conformation acid derivatives, their mono ester units were synthesized with ethyl bromoacetate and hydrolyzed in a basic media (5a-d). Products were obtained in suitable (79-92 %) yields, with 25-(carboxymethoxy)-26,27,28- trihydroxy-5,11,17,23-tetra(4-methoxyphenyl)azocalix[4]arene (5a) being the product with the highest yield (92 %). FT-IR and 1H-NMR spectroscopy approaches, as well as elemental analysis techniques, were used to elucidated the synthesizedproducts.

Dermatophytes are pathogenic fungi, comprising the major cause of superficial fungal infections called dermatophytes. Although they infect keratinized tissues such as skin, nail, and hair, invasive serious infections may occur in immunocompromised patients. However, current antifungal drugs show considerable drawbacks, such as toxicity and multiple drug resistance, compelling and directing researches for new antidermatophyte agents. Herein, a series of hydroxypyrone bearing compounds inspired from the natural metabolite kojic acid was reported. Their antidermatophytic effects of the compounds againstMicrosporum gypseum, Trichophyton mentagrophytes var. erinaceid, andEpidermophyton floccosumwere evaluated. The cytotoxicity of the compounds on healthy (MRC-5) and carcinogenic (He-La) cell lines was also investigated, and their cytopathogenic effects were expressed as maximum non-toxic concentrations. According to the activity studies, compounds10and22were found as the most promising antidermatophytic agents (MIC: 2μg/ml), exhibiting comparable effect with that of griseofulvin (MIC: 0.5–1μg/ml) and terbinafine (MIC: 0.125–0.5μg/ml) which are the most widely used agents for treating mycoses caused by dermatophytes. Molecular docking analysis of the most active compounds, compound10and compound22, with homology model of β-tubulin protein was carried out to investigate the possible binding conformation of the compounds in the targeted macromolecule.

Medicinal plants are usually screened for phytochemicals that may lead to its further isolation, purification and characterization of active principles. The roots of Rumex abyssinicus is used traditionally in Ethiopia for treating different diseases such as hepatitis, hemorrhoids, gonorrhea, typhus and wound. Thus, this study was conducted to investigate the phytochemicals and in-vitro antimicrobial activity extracts of the roots of R. abyssinicus. The roots were collected, chopped and air dried under shade in the Laboratory. Then, the dried plant material was subjected to sequentional extraction using maceration technique by soaking 1 kg of the sample in petroleum ether, chloroform, acetone and methanol and concentrated under reduced pressure using rotary evaporator. The crude extracts were dried and exposed to antimicrobial activity test using four bacterial and two fungal strains. Based on its antimicrobial activity, the acetone crude extract was used for column chromatographic isolation. Herein, two anthraquinones were isolated and characterized: chrysophanol and emodin. Its microbial activity was evaluated for potential antimicrobial activity against medically important strains by the agar disc diffusion method. The concentration of the crude extracts and isolated compounds was 100 mg/mL tested against S. aureus ATCC25903, K. pneumoniae NCTC13368, E. coli ATCC 25722, P. aeruginosa DSMZ 1117 and C. albicans and S.cerevisiae. The zone of growth inhibition of extracts and isolated compounds were compared with standard drugs like Gentamycin and Mancozeb. The results showed that isolated compounds (1 and 2) have demonestrated higher bacterial growth inhibition than the crude extracts. However, compound 2 was not actıve againist the S. cerevisiae strain.

Self-healing materials recover mechanical damages to expand the lifetime of the material provided. In this study, self-healing hydrogels have been successfully prepared using a novel and simple technique. Vanillin is a natural monomer, used as a bio-based cross-linker for UV-induced bonding and Schiff-base bonding. Methacrylate-functionalized vanillin (M-VAN) is covalently integrated with the polymer matrix. While M-VAN supports polymer matrix with its vinyl group, its aldehyde functionality helps the formation of dynamic covalent imine bonds via Schiff-base formation. The hydrogel showed excellent self-healing ability overnight under physiological conditions without external addition. In addition, the hydrogel surface was modified by collagen and its cell viability was investigated. The prepared scaffolds showed good cell viability of 124% and 163% compared to the control sample. The developed self-healing material reveals that it has possible uses for future biomedical applications and tissue engineering studies due to the self-healing mechanism taking place under ambient conditions.

The pathogenic variant E92K (c.274G > A) of the CFTR gene is rare in America and Europe, but it is common for people with cystic fibrosis from Russia and Turkey. We studied the effect of the E92K genetic variant on the CFTR function. The function of the CFTR channel was studied using the intestinal current measurements (ICM) method. The effects of CFTR modulators on the restoration of the CFTR function were studied in the model of intestinal organoids. To assess the effect of E92K on pre-mRNA splicing, the RT-PCR products obtained from patients’ intestinal organoid cultures were analyzed. Patients with the genetic variant E92K are characterized by an older age of diagnosis compared to homozygotes F508del and a high frequency of pancreatic sufficiency. The results of the sweat test and the ICM method showed partial preservation of the function of the CFTR channel. Functional analysis of CFTR gene expression revealed a weak effect of the E92K variant on mRNA-CFTR splicing. Lumacaftor (VX-809) has been shown to restore CFTR function in an intestinal organoid model, which allows us to consider the E92K variant as a promising target for therapy with CFTR correctors.

© 2022This work involves the synthesis and characterization of metallic (Co, Fe, Mn, Ni, Zn) ball-type phthalocyanine precursors by using novel 4,4′-(((4-(tert-butyl)-1,2-phenylene)bis-(methylene))bis(oxy))diphthalonitrile starting compound. The classical oxo-bridge in phthalocyanines was altered with the -OCH2- bridge first time for these ball-type phthalocyanine precursors, and the effects of this change on the chemical, physical and spectral features of phthalocyanine complexes were investigated, in the study. The redox properties of phthalocyanines were researched by electrochemical and in situ spectroelectrochemical measurements on a Pt working electrode in non-aqueous medium. The color changes involved in the redox processes were observed via in situ electrocolorimetric techniques. Electrochemical and UV–Vis spectral measurements exhibited that the compounds had reversible and serial one-electron reduction and oxidation processes. Furthermore, they also had nitrile reduction processes because of opened nitrile groups located at peripheral tails of the phthalocyanine complexes. The plentiful redox conducts of the complexes such as Pc ring based and/or central redox active metal-based reduction and oxidation reactions at low potentials showed that these complexes can be used as functional materials. Because of the apparent spectral and net color changes, the complexes are suitable for utilization in electrochromic devices. Moreover, their rich redox features are a sign of their high electrocatalytic activity for oxygen reduction.

© 2022In this study, peripheral and non-peripherally substituted Zn(II) phthalocyanine complexes were synthesized from 7‑hydroxy-3-(p-tolyl)coumarin and 7‑hydroxy-3-(p-tosyl)coumarin compounds. The synthesized new compounds were characterized using elemental analysis, FT-IR, UV–Vis, Fluorescence 1HNMR spectroscopy and MALDI-TOF mass spectrometry. All the synthesized phthalocyanine complexes showed good solubility in organic solvents such as acetone, dichloromethane, chloroform, pyridine, and ethyl acetate. Fluorescent quenching behavior was investigated using 1,4-benzoquinone and potassium iodide as a quencher. The photophysical (fluorescent quantum yields and lifetimes) and photochemical (single oxygen and photodegradation quantum yields) properties of these new phthalocyanines were examined in dimethyl sulfoxide. Phthalocyanine complexes containing 7‑hydroxy-3-(p-tolyl)coumarin had higher singlet oxygen quantum yields than phthalocyanine complexes containing 7‑hydroxy-3-(p-tosyl)coumarin. Phthalocyanines to which coumarins are peripherally bound were more advantageous than their non-peripherally bound derivatives. As a result of their photophysical and photochemical properties, coumarin-phthalocyanine complexes containing tolyl-/tosyl- groups can be used as photosensitizing candidates in photodynamic therapy and can be developed with targeted modifications.

In this study, novel 1,2,3-triazole derivatives containing different amine subunits 16(a-c) and 17(a-c) were synthesized and characterized by FT-IR, HRMS, 1H, and 13C NMR analyses. The interactions with xanthine oxidase (XO) enzyme of these compounds were investigated with molecular docking studies. The obtained results were compared with molecular docking studies of allopurinol and febuxostat, which are the XO inhibitors. All target compounds demonstrated better binding energies than allopurinol in the interaction with the XO. On the other hand, 16a and 17a exhibited better binding affinities than febuxostat. The best binding energy values of the target compounds, allopurinol, and febuxostat vary between -6.1 and 9.84 kcal/mol. In this case, the target compounds may show better activity than allopurinol against the XO in vitro enzyme-inhibition studies. Additionally, compounds 16a and 17a may show better activities than febuxostat, as well. Finally, in silico ADME and toxicity studies for all target compounds were performed. The ADME results suggested suitable drug-likeness values for the compounds. Regarding toxicity, the compounds are predicted to be safe in terms of mutagenicity and tumorigenicity., Bu çalışmada, farklı amin alt birimleri içeren yeni 1,2,3-triazol türevleri 16(a-c) ve 17(a-c) sentezlendi ve FT-IR, HRMS, 1H, ve 13C NMR analizleri ile yapıları karakterize edildi. Bu bileşiklerin ksantin oksidaz (XO) enzimi ile etkileşimleri moleküler yerleştirme çalışmaları ile incelendi. Elde edilen sonuçlar, XO inhibitörleri olarak bilinen allopurinol ve febuksostat’in moleküler yerleştirme çalışmaları ile karşılaştırıldı. Hedef bileşikler, XO ile etkileşimlerde allopurinolden daha iyi bağlanma enerjileri gösterdi. Diğer taraftan, 16a ve 17a bileşikleri, febuksostat’tan daha iyi bağlanma affiniteleri sergiledi. Hedef bileşikleri, allopurinol ve febuksostatın en iyi bağlanma enerjisi değerleri -6.1 ile 9.84 kcal/mol arasında değişmektedir. Bu durumda, hedef bileşiklerinin in vitro enzim inhibisyon çalışmalarında XO'ya karşı allopurinolden daha iyi aktivite göstermesi olasıdır. Ayrıca, 16a ve 17a bileşikleri de febuksostattan daha iyi aktivite gösterebilir. Son olarak, tüm hedef bileşikler için in siliko ADME ve toksisite çalışmaları yapılmıştır. ADME sonuçları, bileşikler için kabul edilebilir ilaç benzerlik değerleri önerdi. Toksisite ile ilgili olarak, tüm bileşiklerin mutajenite ve tümörijenite açısından güvenli olduğu tahmin edilmektedir.

Topoisomerase II (Top-II) is an essential therapeutic target in cancer treatment owing to its overexpression in a wide variety of cancerous cells, including colorectal and breast cancer. Significant efforts have been made to discover and develop competitive inhibitors of the Top-II enzyme as potential anticancer agents. Herein, molecular modeling was employed to identify a new series of furyl-2-carboxamide derivatives as potential anticancer agents. Compounds 3, 5, and 7 were synthesized and characterized with the aid of several spectroscopic techniques, such as FT-IR, NMR, and mass spectroscopy, as well as elemental analysis. The anticancer activity properties of compounds 3, 5, and 7 were evaluated in vitro using an MTT assay in a human colorectal HCT-116 cell line with different concentration dilutions. The results indicate that the anthraquinone compound 3 is 1.3-1.6 times more potent against human colon cancer HCT-116 cells than the pyridine and benzophenone compounds 7 and 5, respectively, which reveals the importance of the anthraquinone moiety in exerting the inhibitory activity of the compound. Our findings recommend that further optimization of this series would benefit colon cancer treatment.

Moringa oleifera is a robust and fast growing tree considered as one of the most beneficial trees worldwide since almost all parts of it used as food, medicines and for industrial purposes. The aim of this study was to investigate the physicochemical properties and fatty acid composition of M. oleifera seed oil. The oil was extracted by Soxhlet using n-hexane; the physicochemical properties of the seed oil were assessed by standard and established methods, as well the fatty acid composition of the seed oil was determined by GC-MS. The golden yellow with characteristic odor oil obtained from the seeds had the following physicochemical properties: yield, 42.87%; freezing point, 0 °C; melting point, 21 °C; boiling point, 225 °C; refractive index (25 °C), 1.447; iodine value, 96.6 g/100g of oil; peroxide value, 7.6 meq.O2/kg of oil; free fatty acids, 0.07%; acid value, 1.4 mg of KOH/g of oil; saponification value, 185.2 mg KOH/g of oil; unsaponifiable matter, 3.2; moisture and volatile value, 4.91 (wt.%); density, 0.900 g/cm3; viscosity, 60.99 mm2/s; specific gravity, 0.907. The fatty acids composition showed that oleic- acid (51.74%) was the major fatty acid and followed by behenic- (10.54%), palmitic- (9.20%), stearic- (8.46%), arachidic- (6.41%), gondic- (4.88%), lignoceric- (3.08%) and palmitoleic acid (2.85%). Therefore, more and advanced research should be undertaken for this abundant source of natural oil for edible oil and possible industrial applications.

In the fight against the new type of coronavirus (SARS-CoV-2 causing Covid-19), which emerged in China in 2019 and caused the illness and death of many people all over the world, preventive measures come to the fore as vaccines have not yet been produced These are physical distance, mask use, and hygiene The use of masks has become mandatory all over the world and the production of alternative masks continues uninterruptedly In this study, we aimed to produce an effective and breathing mask against the virus using antiviral and aromatic vegetable oils As a result of the study, 100% cotton fabrics dyed with anti-microbial effective herbal dyes were treated with anti-viral, breathable vegetable oils, and new types of protective masks against coronavirus were produced, and odor emission times of the produced masks were determined © 2020, Turkish Chemical Society All rights reserved