Journal of Chemical Research最新文献

{"title":"Design and synthesis of novel PDE4 inhibitors as potential candidates for antidepressant agents","authors":"Yingcong Yu, Yan Zhao, Yajing Wang, Xianfeng Huang","doi":"10.1177/17475198231202967","DOIUrl":"https://doi.org/10.1177/17475198231202967","url":null,"abstract":"PDE4 inhibitors exhibit anti-stress and antidepressant-like abilities by catalyzing the hydrolysis of cAMP, a primary regulator for intracellular communication in the brain. Herein, novel diarylpyrazole derivatives are synthesized and investigated for their ability to inhibit PDE4. In vitro studies indicate that most of the synthesized compounds show significant potency for the inhibition of PDE4. Specifically, N-(4-(3-(3,5-dimethoxyphenyl)-1 H-pyrazol-5-yl)benzyl)-2-morpholinoethan-1-amine exhibits the most potent PDE4 inhibition, with an IC 50 value of ca. 0.09 μM. It also produces antidepressant-like activities in sugar water consumption and in forced swimming tests in vivo.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"2013 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135690326","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":"Two novel coumarin-based fluorescent probes for the detection of Cu²⁺ and biological applications","authors":"Canxin Zhang, Li Huang, Lizhen Wang, Xia Meng, Jianhua Zhou, Hongdong Duan","doi":"10.1177/17475198231199438","DOIUrl":"https://doi.org/10.1177/17475198231199438","url":null,"abstract":"Large accumulations of copper (Cu) ions in the human body may cause damage, including organ and brain damage. In recent years, studies have proven that a large accumulation of Cu ions can lead to Parkinson’s disease and Alzheimer’s disease; therefore, it is great important to develop novel strategies for detecting trace Cu in environmental and biological samples. In this work, we designed two new coumarin-based colorimetric and fluorescent probes, HQ1 and HQ2. These two probes could selectively respond to Cu 2+ with obvious color and fluorescence changes, and the presence of other metal ions had no effect on these changes. The two probes also exhibited high sensitivity for Cu 2+ , with a detection limit as low as 1.81 × 10 –8 M/1.57 × 10 –8 M. Notably, the two probes showed potential practical applications and were successfully used for detecting Cu 2+ in a test strip, A549 cells, and living zebrafish larvae.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135638198","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":"Carbocation rearrangement, methyl migration, and long-range hydrogen transfer in phenyl fatty acid esters","authors":"Jian-Qiao Lang, Hong-Ze Gang, Bo-Zhong Mu, Shi-Zhong Yang","doi":"10.1177/17475198231195806","DOIUrl":"https://doi.org/10.1177/17475198231195806","url":null,"abstract":"Various isomers can be observed in the Friedel–Crafts alkylation of benzene. However, the mechanism and influence of these isomerization reactions were still unclear. In this work, several methyl phenylundecanoate were analyzed by gas chromatography–mass spectrometry to explore the isomerization of the Friedel–Crafts alkylation. The results showed that there were three isomerization reactions in the Friedel–Crafts alkylation reaction: five isomers of methyl 6–10-phenylundecanoate due to carbocation rearrangement, five isomers of methyl 6–9-methyldecanoate and methyl undecanoate due to methyl migration, and the loss of neutral alcohol molecular fragments due to hydrogen transfer. At higher reaction temperature, carbocation migration was more active and the formation of methyl undecanoate isomers was observed. There was a competitive relationship between the production of methyl undecanoate isomers and methyl phenylundecanoate isomers. In addition, the hydrogen transfer could be initiated in the presence of unsaturated bonds and alcohol molecules lost as a fragment. The hydrogen from the phenyl groups, which were at a different position on the carbon chain of fatty acid esters, could be transferred to the ester group. It was found that hydrogen could be transferred intramolecularly over a long range. This work revealed the isomerization process in the Friedel–Crafts alkylation and further deepened the understanding of alkylation.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"78 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135388226","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 sustainable data processing approach using ultraviolet-spectroscopy as a powerful spectral resolution tool for simultaneously estimating newly approved eye solution in the presence of extremely carcinogenic impurity aided with various greenness and whiteness assessment perspectives: Application to aqueous humor","authors":"Khalid A.M. Attia, Ahmed El-Olemy, Ahmed Emad F. Abbas, Sherif M. Eid","doi":"10.1177/17475198231195811","DOIUrl":"https://doi.org/10.1177/17475198231195811","url":null,"abstract":"Drug impurities are now seen as a major threat to drug safety around the world, especially when it comes to carcinogenic impurities. Here, we present the first spectrophotometric approach for the quantification of lignocaine and fluorescein in the presence of 2,6-xylidine, lignocaine’s carcinogenic impurity. The approach depends on overcoming unresolved bands through a data processing strategy employing 10 affordable, simple, and sensitive spectrophotometric methods. Fluorescein analysis (1–16 μg mL −1 ) was performed using direct ultraviolet spectrophotometry (D 0 ) at 478 nm; then, the ratio subtraction method allowed the removal of interference caused by the fluorescein spectrum. From the resulting ratio spectra, 2,6-xylidine (40–160 μg mL −1 ) can be efficiently determined at 280 nm. However, lignocaine (72–320 μg mL −1 ) was analyzed using different ultraviolet-based methods, including continuous wavelet transform, ratio derivative by Savitzky–Golay filters, mean centering, second derivative of ratio spectra, ratio spectra difference spectrophotometry, extended ratio subtraction, absorbance subtraction, Q-absorbance ratio, and area under the curve. In line with International Council for Harmonization of Technical Requirements for Pharmaceuticals for Human Use (ICH), the presented approach was evaluated by its coefficients of determination, detection limits, quantification limits, and relative standard deviations. Similarly, the developed approach was assessed for whiteness, greenness, and sustainability using five assessment tools, including National Environmental Method Index, Eco-Scale Assessment, Complementary Green Analytical Procedure Index, Analytical Greenness Metric, and RGB12, offering promising results. Owing to the satisfactory analytical performance, besides the sustainability, affordability, simplicity, and cost efficiency of the presented methods, their application for quality control and in situ analysis in minimal-infrastructure laboratories increases, increasing the surveillance potential.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135298098","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 the removal of the antibiotic ciprofloxacin by composite aerogels based on PVA/agar/maltodextrin","authors":"Thi Cam Quyen Ngo, Van Tan Lam, Hoang Thanh Tu Nguyen, Ngoc Bich Hoang, Thi Tuu Tran, My Hanh Le, Thi Nhu Dung Nguyen, Long Giang Bach","doi":"10.1177/17475198231184801","DOIUrl":"https://doi.org/10.1177/17475198231184801","url":null,"abstract":"In this study, we used a synthetic aerogel based on PVA/agar/maltodextrin to remove the antibiotic ciprofloxacin (CFX) from aqueous media. Response surface method (RSM) is used to study the relationship between the factors affecting the adsorption process, thereby optimizing the adsorption efficiency, and making decisions on improving the adsorption process better sub. The research results obtained are as follows: pH2, initial CFX concentration 51 mg L −1 , adsorbent dosage 0.16 g L −1 , adsorption time 120 min, and temperature 51.5 °C reached the maximum adsorption capacity. The maximum additive is 38.63 mg g −1 . The experimental data agree with the pseudo-quadratic kinetic model and the Langmuir and Temkin isotherm models. The composite aerogel adsorbent (AE) in this study is a potential candidate for adsorbent to remove antibiotic contamination in aqueous media.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"127 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135304839","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":"Removal of the antibiotic ciprofloxacin by using a polyvinyl alcohol/agar/maltodextrin composite membrane: Optimization by response surface methodology","authors":"Huong Dieu Tran, Bich Ngoc Hoang, Lam Van Tan, Thi Nhu Dung Nguyen, Tran Thi Tuu, Phung Chi Sy, Long Giang Bach","doi":"10.1177/17475198231181624","DOIUrl":"https://doi.org/10.1177/17475198231181624","url":null,"abstract":"Polyvinyl alcohol/agar/maltodextrin composite membranes at different ratios are investigated for the removal of the antibiotic ciprofloxacin from water. The factors affecting the adsorption capacity of the as-synthesized membranes include time, pH, temperature, concentration, and dosage of film. The PAM244 and PAM433 membranes are subjected to optimization using response surface methodology model employing the Box–Behnken experimental design model. The optimal model has shown compatibility between the experimental value and the predicted value of the model. The correlation coefficients of PAM244 and PAM433 are recorded as R 2 = 0.999 and R 2 = 0.991, respectively. The model also proposes the optimal parameters. For PAM244, the adsorption capacity predicted from the model is 11.52 mg g –1 (42% of efficiency) at pH 5.89, a concentration of 41.28 mg L –1 , over a time period of 19.87 min, and dosage of film 2.08 g L –1 . For PAM433, the adsorption capacity predicted from the model is 10.46 mg g –1 (40% of efficiency) at pH 6.07, a concentration of 41.24 mg L –1 , over a time period of 19.59 min, and dosage of film 2.16 g L –1 . To enhance the potential of the material, the membrane reusability is also examined with the number of reuses being three times with the PAM244 membrane and twice with the PAM433 membrane.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"103 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135427670","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":"Violet dyes of the 1860s: Hofmann, Britannia, violet de Paris, Wanklyn’s, and Crystal violet (1883)","authors":"M John Plater, Andrea Raab, Horst Hartmann","doi":"10.1177/17475198231196759","DOIUrl":"https://doi.org/10.1177/17475198231196759","url":null,"abstract":"Two 19th-century historical violet dyes from the Historische Farbstoffsammlung, Technical University of Dresden, have been analysed by liquid chromatography–mass spectrometry (LC-MS). The data are presented as charts with retention time and two scales: electron spray mass spectrometry counts ( m/z) and milli-absorption units (UV). These dyes are complex mixtures as anticipated from the synthetic methods involving partial alkylation of rosaniline or synthesis using mixtures of N-methylaniline and N,N-dimethylaniline. The charts typically show chromophores separated by CH 2 units which have separated well. Hofmann’s violet is presumably made by Hofmann’s method of synthesis, but the analyses do not verify with certainty who the inventors are because of the complexity of the dye mixtures.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"197 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135298313","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":"An α, β-unsaturated ketone alkylation and efficient reduction protocol for the synthesis of 3α-hydroxy-3β-methyl-4,4-dimethyl-5α-21-bromo-19-nor-pregnan-20-one","authors":"Mingguang Zhang, Wenlong Wang, Chen Guo, Chunhuan Jiang","doi":"10.1177/17475198231204213","DOIUrl":"https://doi.org/10.1177/17475198231204213","url":null,"abstract":"Alkyl-substituted testosterone derivatives are promising platforms for new drug discovery in medicinal chemistry. This approach provides a simple and efficient method for introducing an alkyl substituent to steroids at the C-4 position. In this study, the novel compound 3α-hydroxy-3β-methyl-4,4-dimethyl-5α-21-bromo-19-nor-pregnan-20-one is synthesized from 19-nor-testosterone. The protocol involves methylation of the dienolate, reduction of the alkene, the Grignard reaction of the carbonyl group, a Wittig reaction, hydroboration with BH 3 , the oxidation and bromination with a 49% overall yield. For the methylation and reduction steps, the effects of the base, solvent, and reactant ratio on the conversion and yield are investigated. The structures of the synthesized compounds are determined by nuclear magnetic resonance (NMR) and high-resolution mass spectrometry (HRMS) (electrospray ionization (ESI)).","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"208 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135736724","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":"M^pro-targeted anti-SARS-CoV-2 inhibitor-based drugs.","authors":"Zhuxin She, Yinuo Yao, Conglong Wang, Yi Li, Xiaohui Xiong, Yuanyuan Liu","doi":"10.1177/17475198231184799","DOIUrl":"10.1177/17475198231184799","url":null,"abstract":"<p><p>The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 is a global health emergency. The main protease is an important drug target in coronaviruses. It plays an important role in the processing of viral RNA-translated polyproteins and is highly conserved in the amino acid sequence and three-dimensional structure, making it a good drug target for which several small molecule inhibitors are available. This paper describes the various anti-severe acute respiratory syndrome coronavirus 2 inhibitor drugs targeting M^pro discovered since the severe acute respiratory syndrome coronavirus 2 outbreak at the end of 2019, with all these compounds inhibiting severe acute respiratory syndrome coronavirus 2 M^pro activity <i>in vitro</i>. This provides a reference for the development of severe acute respiratory syndrome coronavirus 2 M^pro-targeted inhibitors and the design of therapeutic approaches to address newly emerged severe acute respiratory syndrome coronavirus 2 mutant strains with immune evasion capabilities.</p>","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":"47 4","pages":"17475198231184799"},"PeriodicalIF":1.0,"publicationDate":"2023-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ftp.ncbi.nlm.nih.gov/pub/pmc/oa_pdf/8b/ae/10.1177_17475198231184799.PMC10333551.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10353100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}