Journal of Chemical Research最新文献

{"title":"Nitric oxide production inhibitors from Vietnamese Scutellaria indica: An in vitro and in silico study","authors":"Dao Cuong To, Phi-Hung Nguyen, Le Minh Hoang, Hoa Thi Nguyen, Truong Thi Viet Hoa, Truong Thi Thuy Nhung, Phuong Dai Nguyen Nguyen, Ngu Truong Nhan, Hong Khuyen Thi Pham, Phu Chi Hieu Truong","doi":"10.1177/17475198241272457","DOIUrl":"https://doi.org/10.1177/17475198241272457","url":null,"abstract":"Seven metabolites (1–7) were isolated from the Vietnamese Scutellaria indica, guided by anti-inflammatory activity. The identified compounds comprise scrocaffeside A (1), naringenin-7-O-glucoside (2), darendoside B (3), decaffeoylverbascoside (4), plantainoside C (5), acteoside (6), and isoacteoside (7). This is the first time the compounds 1–3 and 5 were isolated from the entire Scutellaria indica. Compounds 1–7 tested for their anti-inflammatory potential by inhibiting nitric oxide (NO) production. Compound 1 showed the most activity (IC<jats:sub>50</jats:sub> = 31.4 μM), followed by compounds 2, 4, 6, and 7 exhibited IC<jats:sub>50</jats:sub> values of 41.2, 87.4, 52.2, and 44.6 μM, respectively. However, compounds 3 and 5 were inactive (IC<jats:sub>50</jats:sub> &gt; 100 μM). Molecular docking was applied to study the affinity and interactions between compound 1 and inflammatory-caused proteins based on the in vitro results. Compound 1 generated the lowest binding free energy with the cyclooxygenase-2 (COX-2) target, which was −9.8 kcal/mol, followed by inducible nitric oxide synthase (iNOS, –8.4 kcal/mol), and interleukin-8 (IL-8, –7.6 kcal/mol). The results indicate that compound 1 derived from S. indica has the potential to be further explored and developed as an inflammatory inhibitor.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"22 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142176558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of synthesis process and photocatalytic mechanism of tachysterol under ultraviolet irradiation","authors":"Wuzhang Liu, Yu Shan, Songtao Liu, Ye Zhou, Yan Wang, Linwei Li, Shu Xu, Yu Chen, Xu Feng, Li Lin, Jinyue Luo, Fei Liu","doi":"10.1177/17475198241265931","DOIUrl":"https://doi.org/10.1177/17475198241265931","url":null,"abstract":"Tachysterol is an intermediate product in the synthesis of vitamin D<jats:sub>2</jats:sub> from ergosterol and vitamin D<jats:sub>3</jats:sub> from 7-dehydrocholesterol under ultraviolet irradiation. Recent studies have shown that tachysterol is also a crucial intermediate in the synthesis of the natural anti-tumor product Chaxine C. Although there have been numerous studies on the synthesis of vitamin D<jats:sub>2</jats:sub> and other photoisomers from ergosterol, research on the synthesis of tachysterol is relatively limited. In addition, the yield of tachysterol is not high (57.0%), and the mechanism is unclear. In this study, a method was developed for the qualitative and quantitative analysis of tachysterol. Meanwhile, an efficient synthesis process for tachysterol was reported. The qualitative and quantitative analysis of ergosterol isomers, including tachysterol, a precursor of vitamin D<jats:sub>2</jats:sub>, and photosterol, was conducted using high-performance liquid chromatography, and the quantitative method for tachysterol was confirmed using quantitative nuclear magnetic resonance. There were strong linear relationships between tachysterol content and the testing parameters, with the correlation coefficients of 0.9997 and 0.9971, respectively. The synthesis process of tachysterol from ergosterol through our self-designed photoreactors was optimized, and the effects of reaction temperature, reaction time, photoprotectants, reaction substrate concentration, and the power of ultraviolet lamps were investigated. The yield of the reaction was 85.7%, which is 28.7% higher than the previously reported results. The mechanism and by-products of the reaction were further studied using ultraviolet spectrophotometry and gas chromatography mass spectrometry. This study explored the potential for the large-scale preparation of tachysterol, particularly for the total synthesis of the anti-tumor natural product Chaxine C. It also offered insights into the synthesis of structural similar compounds and the analysis of photocatalytic reaction products.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"190 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141885719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In silico molecular docking, DFT, and toxicity studies of potential inhibitors derived from Millettia dielsiana against human inducible nitric oxide synthase","authors":"Hoang Thi Tue Trang, Nguyen Xuan Ha, Cao Hong Le, Truong Thi Thuy Nhung, Dinh Thi Truong Giang, Nguyen Thi Diem Hang, Phan Thi Thuy","doi":"10.1177/17475198241263837","DOIUrl":"https://doi.org/10.1177/17475198241263837","url":null,"abstract":"Inducible nitric oxide synthase is known as a potential biological target that plays a crucial role in regulating the release of nitric oxide and is responsible for the amount of nitric oxide released during the inflammation process. Searching for compounds from natural sources that inhibit inducible nitric oxide synthase may reduce excessive nitric oxide production and counteract metabolic diseases originating from prolonged inflammation. One of the valuable medicinal plants with significant anti-inflammatory activity evaluated in this study is Millettia dielsiana. The current work focuses on the molecular docking analysis of compounds derived from Millettia dielsiana to identify potential candidates against the inducible nitric oxide synthase enzyme. As a result, four compounds (D10 (Tupichinol C), D20 (Durmillone), D46 (Glycitin), and D50 (5,7,4′-trihydroxyisoflavone 7- O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside) with the most potent inhibitory potential were identified with binding affinities less than −9.0 kcal mol<jats:sup>−1</jats:sup>. Moreover, toxicity predictions using the ProTox II web server indicated that these compounds exhibit low toxicity (Toxicity Class of 5). Compound D50 showed no activity in hepatotoxicity, carcinogenicity, immunotoxicity, mutagenicity, and cytotoxicity. Density functional theory was employed for molecular description, electronic properties, and chemical reactivity of the compounds. These findings provide a basis for further in-depth biological experiments in the future.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"75 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141885720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On the discovery of the first synthetic dyes prepared from phenolic tar ingredients","authors":"Horst Hartmann","doi":"10.1177/17475198241262008","DOIUrl":"https://doi.org/10.1177/17475198241262008","url":null,"abstract":"More as a decade before aniline and phenol were isolated from coal tar by Runge in 1834 and used for the fabrication of a number of important dyes, such as Aniline Black, Mauveine, and Fuchsine, the German naturalist von Reichenberg observed the formation of a red dye from beech tar, which he called pittakal. In this report, both the history of discovery and the laborious structure elucidation of this first tar dye were discussed and the subsequent efforts to obtain further usable dyes from phenol outlined. A decisive contribution for that came from Kolbe and Schmitt, who better known as the inventors of the first technical synthesis of salicylic acid.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"37 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141776567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, evaluation, and docking study of adamantyl-1,3,4-oxadiazol hybrid compounds as CaMKIIδ kinase inhibitor","authors":"Mohammed M Al-Mahadeen, Areej M Jaber, Raed A Al-Qawasmeh, Mutasem O Taha","doi":"10.1177/17475198241262467","DOIUrl":"https://doi.org/10.1177/17475198241262467","url":null,"abstract":"This study revealed a new inhibitor of Ca<jats:sup>2+</jats:sup>/calmodulin-dependent protein kinase II (CaMKII), a crucial factor in cardiovascular disease and hypertension. The study focuses on the bioactivity compounds that combine adamantane/1,3,4-oxadiazole, potentially inhibiting CaMKIIδ. Various adamantyl-1,3,4-oxadiazole derivatives were synthesized and tested for their efficiency against CaMKIIδ kinase, with 6f being the most potent with an IC<jats:sub>50</jats:sub> value of 14.4 μM. Docking studies were carried out to determine the binding processes of these chemicals within the kinase’s active region. These discoveries are an important step toward the development of novel treatments for cardiovascular illnesses and hypertension, with the potential for more precise and efficient therapeutic interventions in the future.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"73 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141511050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"1,3,4-Oxadiazole derivative: Photophysical, gelation, self-assembly, and Fe3+ fluorescence sensing properties","authors":"Tianren Zhang, Sitong Jiang, Guizhi Wang, Youpeng Zuo, Shuwen Yu, Qing Zhang, Xueqing Hu","doi":"10.1177/17475198241255789","DOIUrl":"https://doi.org/10.1177/17475198241255789","url":null,"abstract":"A new 1,3,4-oxadiazole derivative (BPOXD-B8) was synthesized. The emission properties of BPOXD-B8 in different solutions were studied. BPOXD-B8 could form organogels in different solvents, especially in methanol. The gelation and self-assembly properties of BPOXD-B8 were investigated by SEM, X-ray diffraction (XRD), temperature-dependent FTIR, and UV-vis. The main driving forces during self-assembly are π–π interaction and the van der Waals force. In addition, the BPOXD-B8 solution showed fluorescence sensing properties for Fe<jats:sup>3+</jats:sup> ions. BPOXD-B8 with a relatively low detection limit (0.079 μM) and relatively small standard deviations (&lt;5%) indicate that the present system is indeed suitable for real-life sample analysis.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"98 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141198472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A pair epimers of eremophilane sesquiterpene from Ligularia macrophylla","authors":"Tong Shen, Xiang-Tao Zha, Mei Yu, Guo-Li Li, Yi-Lin He","doi":"10.1177/17475198241255788","DOIUrl":"https://doi.org/10.1177/17475198241255788","url":null,"abstract":"Two oxygenated eremophilane-type sesquiterpenoids, possessing C<jats:sub>21</jats:sub> skeleton, a pair epimers, have been isolated from the whole plants of Ligularia macrophylla (Compositae). Their structures were determined by analysis of infrared, ultraviolet, nuclear magnetic resonance, high-resolution electrospray ionization mass spectrometry data, and electronic circular dichroism as well as comparison with literature data. Of the two compounds, the compound 1 is unknown, and the other is known. These compounds are evaluated for antibacterial activity of Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Bacillus cereus.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"26 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141172956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of activated carbon from cotton plant by-products in Vietnam to remove methylene blue and congo red","authors":"Hoa Nguyen Thi Hong, Hao Le Quoc, Thi Cam Quyen Ngo, Thi Tuu Tran, Chi Sy Phung, Bich Ngoc Hoang","doi":"10.1177/17475198241255288","DOIUrl":"https://doi.org/10.1177/17475198241255288","url":null,"abstract":"Activated carbon from cottonwood was synthesized by microwave-assisted method with activator NaOH. Activated carbon from cottonwood has a rough surface like coral, an amorphous structure with surface functional groups such as O–H, C–H, C=C, and C–O. The surface area and pore size were recorded at 395.48 m<jats:sup>2</jats:sup> g<jats:sup>−1</jats:sup> and 2.35 nm. The adsorption capacity of activated carbon from cottonwood was evaluated on two groups of anion dyes (congo red) and cation dye (methylene blue) to evaluate the influencing factors and predict the adsorption process. The best adsorption conditions were recorded for methylene blue (time: 30 min, temperature: 30 °C, pH: 10, activated carbon from cottonwood of 1 g L<jats:sup>−1</jats:sup>, methylene blue of 80 mg L<jats:sup>−1</jats:sup>, and adsorption capacity of 30.875 mg g<jats:sup>−1</jats:sup>) and congo red (time: 150 min, temperature: 60 °C, pH: 2, activated carbon from cottonwood of 2 g L<jats:sup>−1</jats:sup>, congo red of 100 mg L<jats:sup>−1</jats:sup>, and adsorption capacity of 45.97 mg g<jats:sup>−1</jats:sup>), respectively. The adsorption process was consistent with the Bangham kinetic and Dubinin–Radushkevich (D–R) isotherm model. The process of evaluating reusability shows that activated carbon from cottonwood can be reused 4 times.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"15 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141152280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fluorescent probe for Fe3+ detection based on a guest molecular luminescent metal–organic framework","authors":"Lei Yang, Tangxuan Xu, Chenghao Li, Yuezhu Yang, Jing Huang","doi":"10.1177/17475198241250269","DOIUrl":"https://doi.org/10.1177/17475198241250269","url":null,"abstract":"The zinc(II) bis-(8-hydroxyquinoline) (Znq<jats:sub>2</jats:sub>) has excellent photoluminescence properties, and its fluorescence emission can be significantly quenched by Fe<jats:sup>3+</jats:sup> in water. To accelerate the detection response of Znq<jats:sub>2</jats:sub> to Fe<jats:sup>3+</jats:sup>, a luminescent metal–organic framework Znq<jats:sub>2</jats:sub>@ZIF-8 based on guest molecular luminescence was constructed by growing zeolite imidazolate framework-8 (ZIF-8) on the outer surface of Znq<jats:sub>2</jats:sub>. The results show that the prepared Znq<jats:sub>2</jats:sub>@ZIF-8 has an octahedral core–shell structure, a particle size of approximately 1–3 μm, an enhanced specific surface area of 1105.41 m<jats:sup>2</jats:sup> g<jats:sup>−1</jats:sup>, and with a stable green luminescence at 495 nm. A fluorescence analytical method was developed for the detection of Fe<jats:sup>3+</jats:sup> in water, the correlation coefficients were significant in the Fe<jats:sup>3+</jats:sup> concentration range of 0–600 μmol L<jats:sup>−1</jats:sup>, and the limit of detection was as low as 3.89 μmol L<jats:sup>−1</jats:sup>. The spiked recoveries of tap water samples demonstrated that the method could be applied to practical applications. The mechanism of fluorescence detection is that Fe<jats:sup>3+</jats:sup> participates in the competitive coordination of Znq<jats:sub>2</jats:sub>@ZIF-8 metal centers, leading to the collapse of the crystal structure, meanwhile, Fe<jats:sup>3+</jats:sup> produces a certain degree of competitive absorption of the excitation light of Znq<jats:sub>2</jats:sub>@ZIF-8. This method was applied for the detection of Fe<jats:sup>3+</jats:sup> in water with good selectivity, anti-interference ability, and has the potential to be used as a rapid detection method.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"42 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140883977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Porous gold-layered cubic and octahedral Cu-oxide nanocrystals: Dopamine sensing","authors":"Carla Jacobs, Elizabeth Erasmus","doi":"10.1177/17475198241247964","DOIUrl":"https://doi.org/10.1177/17475198241247964","url":null,"abstract":"Two morphologically different porous gold layered on Cu-oxide-based electrochemical sensors were developed for the selective detection of dopamine in the presence of uric acid, ascorbic acid or dextrose. The nanoparticles were prepared by layering Au onto either a cubic or octahedron-shaped Cu-oxide crystal via a galvanic reaction. These were characterized with scanning electron microscopy, energy dispersive X-ray and X-ray photoelectron spectroscopy. The porous structure of the gold over layer was clearly visible on the scanning electron microscopy image while the macro morphology was maintained. X-ray photoelectron spectroscopy confirmed the presence of metallic gold while both Cu<jats:sup>I</jats:sup> (CuO) and Cu<jats:sup>II</jats:sup> (Cu<jats:sub>2</jats:sub>O) were present in the samples. These two Au/Cu-oxide nanocomposites were used to modify glassy carbon electrodes and were tested for their dopamine sensing ability. Differential pulse voltammetry was used to investigate the selectivity towards dopamine in the presence of different interfering molecules uric acid, ascorbic acid and dextrose). From the differential pulse voltammetry, the lowest limit of detection was found to be 1.1 μM, with a sensitivity of 3.4 μA mM<jats:sup>−1</jats:sup> mm<jats:sup>−2</jats:sup> in the linear range of 10–250 μM for the porous gold layered covering the octahedron Cu-oxide-modified glassy carbon electrode.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"25 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140829944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}