Chemistry Pub Date : 2024-07-25 DOI: 10.3390/chemistry6040035

Nícolas J. Melo, Jennifer M. Soares, L. N. Dovigo, Christian Carmona-Vargas, A. S. N. Aguiar, Adriana C. dos Passos, K. D. de Oliveira, V. Bagnato, L. D. Dias, N. Inada

{"title":"Photodynamic Action of Synthetic Curcuminoids against Staphylococcus aureus: Experimental and Computational Evaluation","authors":"Nícolas J. Melo, Jennifer M. Soares, L. N. Dovigo, Christian Carmona-Vargas, A. S. N. Aguiar, Adriana C. dos Passos, K. D. de Oliveira, V. Bagnato, L. D. Dias, N. Inada","doi":"10.3390/chemistry6040035","DOIUrl":"https://doi.org/10.3390/chemistry6040035","url":null,"abstract":"Natural curcumin is composed of three curcuminoids, namely curcumin (CUR), deme-thoxycurcumin (DMC) and bis-demethoxycurcumin (BDMC). These compounds are utilized in various biophotonics applications, including photodynamic therapy (PDT). This work aimed to evaluate the photodynamic action (alternative to antibiotics) of synthetic curcuminoids against Staphylococcus aureus. Herein, we evaluated an optimal proportion of the three curcuminoids mixed in solution to improve photoinactivation effects. Therefore, a set of computational calculations was carried out to understand the photodynamic action (stability and mechanism) of curcuminoids. Regarding computational analysis, the curcuminoid molecules were optimized using DFT with the hybrid exchange–correlation functional M06-2X, which includes long-range correction, and the 6-311++G(d,p) basis set. DMC and BDMC were more effective as photosensitizers than curcumin at a very low concentration of 0.75 µM, inactivating more than five orders of magnitude of S. aureus. Theoretical UV-vis absorption spectra showed that at maximum absorption wavelengths, electronic transitions of the π→π* type originated from H→L excitations. The BDMC was more stable than the other two curcuminoids after photobleaching, and the fluorescence emission was also higher, which could lead to its usage as a fluorescence dye to track bacteria. In fact, the results of electronic structure calculations proved that the stability order of curcuminoids is CUR < DMC < BDMC. The mixture of synthetic curcuminoids was more effective in the inactivation of S. aureus compared to curcumin by itself; for all proposed mixtures, an equal or superior reduction was achieved.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"16 19","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141802882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Azidoindolines—From Synthesis to Application: A Review 叠氮吲哚--从合成到应用：综述

Chemistry Pub Date : 2024-07-18 DOI: 10.3390/chemistry6040034

Takumi Abe

引用次数: 0

Correction: Bagchi et al. Effects of Carboxyl Functionalized CNT on Electrochemical Behaviour of Polyluminol-CNT Composites. Chemistry 2022, 4, 1561–1575 更正：Bagchi 等人，《羧基功能化 CNT 对聚铝醇-CNT 复合材料电化学行为的影响》。化学 2022，4，1561-1575

Chemistry Pub Date : 2024-07-12 DOI: 10.3390/chemistry6040033

Raunaq Bagchi, Mohamed K. Elshazly, J. N’Diaye, D. Yu, Jane Howe, Keryn Lian

引用次数: 0

Phytochemistry, Anti-Tyrosinase, and Anti-Diabetes Studies of Extracts and Chemical Constituents of Dicerothamnus rhinocerotis Leaves 犀牛叶提取物及化学成分的植物化学、抗酪氨酸酶和抗糖尿病研究

Chemistry Pub Date : 2024-07-02 DOI: 10.3390/chemistry6040032

Olusola Ifedolapo Watti, Masande Yalo, Rajan Sharma, Masixole Makhaba, Ahmed A. Hussein, W. Mabusela

{"title":"Phytochemistry, Anti-Tyrosinase, and Anti-Diabetes Studies of Extracts and Chemical Constituents of Dicerothamnus rhinocerotis Leaves","authors":"Olusola Ifedolapo Watti, Masande Yalo, Rajan Sharma, Masixole Makhaba, Ahmed A. Hussein, W. Mabusela","doi":"10.3390/chemistry6040032","DOIUrl":"https://doi.org/10.3390/chemistry6040032","url":null,"abstract":"Dicerothamnus rhinocerotis (L.f.) Koekemoer, also known as rhinoceros bush and previously called Elytropappus rhinocerotis (L.f.) Less., is from the Asteraceae plant family. The plant is traditionally used to treat indigestion, stomach ulcers, influenza, and diarrhea. This study was aimed at investigating the phytochemistry, anti-glucosidase, anti-amylase, and anti-tyrosinase effects of D. rhinocerotis as research in this area is limited. The air-dried plant materials were macerated in 80% methanol (MeOH) and fractionated between hexane, dichloromethane (DCM), ethyl acetate (EtOAc), and butanol (BuOH). Column chromatography on silica gel was employed for the isolation of the compounds. A total of six compounds (1–6) were isolated from the fractions viz. acacetin (1), 15-hydroxy-cis-clerodan-3-ene-18-oic-acid (2), acacetin-7-glucoside (3), pinitol (4), apigenin (5), and β-sitosterol-3-O-glycoside (6). Compounds 2–4 and 6 are reported for the first time from this plant. Among the different fractions, the BuOH and EtOAc fractions had strong tyrosinase inhibitory activities with IC50 values of 13.7 ± 1.71 and 11.6 ± 2.68 µg/mL, respectively, while among the isolated compounds, apigenin (5) had the strongest inhibitory activity, with an IC50 of 14.58 µM, which competes favorably with Kojic acid (17.26 µM). The anti-glucosidase assay showed good activity in three of the fractions and compound 5, while the anti-amylase assays did not show significant inhibition activity.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"22 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141685768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent Advances in Applied Electrochemistry: A Review 应用电化学的最新进展：回顾

Chemistry Pub Date : 2024-05-23 DOI: 10.3390/chemistry6030024

P. Yammine, Hanna El-Nakat, R. Kassab, Agapy Mansour, Bilal El Khoury, Diala Koumeir, Zeinab Matar, Ayman Chmayssem

引用次数: 0

First Report of Ocellatin-VT from the Skin Secretion of Leptodactylus vastus Lutz (Amphibia: Leptodactylidae) 首次报告从 Leptodactylus vastus Lutz（两栖类：Leptodactylidae）皮肤分泌物中发现 Ocellatin-VT

Chemistry Pub Date : 2024-04-08 DOI: 10.3390/chemistry6020019

Tulíbia Laurindo Silva, Géssica Gomes Barbosa, Carlos José Correia Santana, P.M.G. Paiva, Mariana S. Castro, T. Napoleão

{"title":"First Report of Ocellatin-VT from the Skin Secretion of Leptodactylus vastus Lutz (Amphibia: Leptodactylidae)","authors":"Tulíbia Laurindo Silva, Géssica Gomes Barbosa, Carlos José Correia Santana, P.M.G. Paiva, Mariana S. Castro, T. Napoleão","doi":"10.3390/chemistry6020019","DOIUrl":"https://doi.org/10.3390/chemistry6020019","url":null,"abstract":"The global emergency of antimicrobial resistance has drawn several efforts to evaluate new drug candidates, such as natural defensive biomolecules. Ocellatins are a group of antimicrobial peptides found in anurans of the Leptodactylidae family. This work investigated the presence of antimicrobial peptides in the skin secretion of Leptodactylus vastus from the Brazilian northeast. The secretion was fractionated by RP-HPLC, and the fractions were screened for antibacterial activity. A peptide isolated from the most active fraction was characterized for primary structure and evaluated for antibacterial activity, cytotoxicity to murine melanoma cells (B16-F10), and hemolytic activity. The RP-HPLC profile displayed 26 fractions, with fraction 25 being the most active. One of the two peptides present in this fraction had the primary structure determined, belonging to the group of ocellatins. Since it was not identical to other ocellatins previously reported, it was named ocellatin-VT. This peptide especially inhibited Gram-negative bacteria growth, with the highest activity against Acinetobacter baumannii and Escherichia coli (growth inhibition was higher than 95% at 8 and 16 µM, respectively). Ocellatin-VT was weakly cytotoxic to B16-F10 cells and showed low hemolytic activity. In conclusion, a new ocellatin was isolated from L. vastus skin secretion that was active against non-resistant and multidrug-resistant bacteria.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"284 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140730639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

NEXAFS and XPS Studies of Co Doped Bismuth Magnesium Tantalate Pyrochlores 掺钴钽酸铋镁热裂解物的 NEXAFS 和 XPS 研究

Chemistry Pub Date : 2024-04-03 DOI: 10.3390/chemistry6020018

N. Zhuk, B. Makeev, A.V. Koroleva, S. Nekipelov, O. V. Petrova

{"title":"NEXAFS and XPS Studies of Co Doped Bismuth Magnesium Tantalate Pyrochlores","authors":"N. Zhuk, B. Makeev, A.V. Koroleva, S. Nekipelov, O. V. Petrova","doi":"10.3390/chemistry6020018","DOIUrl":"https://doi.org/10.3390/chemistry6020018","url":null,"abstract":"Co doped bismuth magnesium tantalate with a pyrochlore structure (sp. gr. Fd-3m) was synthesized for the first time using the standard ceramic method. Single phase Bi2Mg1−xCoxTa2O9 samples were found to be formed when x < 0.7 in the X-ray phase analysis. However, with a higher cobalt content in the samples, the impurity phase β-BiTaO4 (sp. gr. P-1) is detected, and its amount is proportional to the degree of cobalt doping. The formation of solid solutions is evidenced by a uniform increase in the unit cell parameter of the Co,Mg co doped bismuth tantalate phase with an increase in the content of cobalt ions in the samples from 10.5412(8) (x = 0.3) to 10.5499(8) Å (x = 0.7). The samples exhibit a porous microstructure consisting of chaotically oriented and partially fused elongated grains measuring 1–2 μm. The dependence of the ceramic grain size on the n(Mg)/n(Co) ratio was not determined. X-ray spectroscopy (ear dge X-ray bsorption ine tructure (NEXAFS) and X-ray photoelectron spectroscopy (XPS)) was used to study the charge state of ions in Bi2Mg1−xCoxTa2O9. The NEXAFS and XPS data showed that doping with cobalt and magnesium did not change the bismuth and tantalum oxidation states in pyrochlore; in particular, the ions maintained their oxidation states of Bi(+3), Mg(+2) and Ta(+5). The energy position of the peaks of the Ta4f-, Ta5p-, Ta4d spectra had a characteristic shift towards lower energies compared to the binding energy in pentavalent tantalum oxide Ta2O5. A shift towards lower energies is characteristic of a decrease in the effective positive charge; in particular, for the Ta4f and Ta4d spectra we presented, this energy shift was ΔE = 0.65 eV, and in the region of the Ta4d edge—0.55 eV. This in turn allowed for us to assume that tantalum atoms have the same effective charge +(5-δ). The oxidation state of cobalt ions was predominantly 2+ and partially 3+, according to NEXAFS spectroscopy data.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"229 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140746550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Hydrophobin-Coated Perfluorocarbon Microbubbles with Strong Non-Linear Acoustic Response 具有强烈非线性声学响应的亲水素包覆全氟碳微气泡

Chemistry Pub Date : 2024-03-26 DOI: 10.3390/chemistry6020016

Valentina Dichiarante, Giuseppina Salzano, Philippe Bussat, E. Gaud, Samir Cherkaoui, P. Metrangolo

{"title":"Hydrophobin-Coated Perfluorocarbon Microbubbles with Strong Non-Linear Acoustic Response","authors":"Valentina Dichiarante, Giuseppina Salzano, Philippe Bussat, E. Gaud, Samir Cherkaoui, P. Metrangolo","doi":"10.3390/chemistry6020016","DOIUrl":"https://doi.org/10.3390/chemistry6020016","url":null,"abstract":"Gas-filled microbubbles are well-established contrast agents for ultrasound imaging and widely studied as delivery systems for theranostics. Herein, we have demonstrated the promising potential of the hydrophobin HFBII—a fungal amphiphilic protein—in stabilizing microbubbles with various fluorinated core gases. A thorough screening of several experimental parameters was performed to find the optimized conditions regarding the preparation technique, type of core gas, HFBII initial concentration, and protein dissolution procedure. The best results were obtained by combining perfluorobutane (C4F10) gas with 1 mg/mL of aqueous HFBII, which afforded a total bubble concentration higher than 109 bubbles/mL, with long-term stability in solution (at least 3 h). Acoustic characterization of such microbubbles in the typical ultrasound frequency range used for diagnostic imaging showed the lower pressure resistance of HFBII microbubbles, if compared to conventional ones stabilized by phospholipid shells, but, at the same time, revealed strong non-linear behavior, with a significant harmonic response already at low acoustic pressures. These findings suggest the possibility of further improving the performance of HFBII-coated perfluorinated gas microbubbles, for instance by mixing the protein with other stabilizing agents, e.g., phospholipids, in order to tune the viscoelastic properties of the outer shell.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"115 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140379160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Breathable Iron-Based MIL-88 Framework as Dye Adsorbent in Aqueous Solution 作为水溶液中染料吸附剂的可呼吸铁基 MIL-88 框架

Chemistry Pub Date : 2024-03-14 DOI: 10.3390/chemistry6020015

D. A. Nurani, Nabila Anisa, Irena Khatrin, Yasmine, Granprix T M Kadja, Y. Krisnandi

{"title":"Breathable Iron-Based MIL-88 Framework as Dye Adsorbent in Aqueous Solution","authors":"D. A. Nurani, Nabila Anisa, Irena Khatrin, Yasmine, Granprix T M Kadja, Y. Krisnandi","doi":"10.3390/chemistry6020015","DOIUrl":"https://doi.org/10.3390/chemistry6020015","url":null,"abstract":"Metal–organic frameworks (MOFs) have been observed to exclusively eliminate dyes confined within their respective pores. In this investigation, the synthesis of a breathable MOF structure, MIL-88B(Fe), was pursued with the objective of circumventing restrictions on pore size to enhance its adsorption capabilities. The synthesis of MIL-88B(Fe) was carried out via the assisted solvothermal method at 373 K using inexpensive yet environmentally benign FeCl3·6H2O, 1,4-benzenedicarboxylic acid, and DMF as a metal precursor, linker, and solvent, respectively. Furthermore, the MOF was subjected to extensive analytical characterisation using XRD, FT-IR spectroscopy, N2 gas sorption, TGA, and SEM. The experimental data showed that the utilisation of MIL-88B(Fe) with a dose level of 5 mg for 180 min at a pH of 9 led to the highest levels of adsorption for both dyes, with 162.82 mg g−1 for methylene blue (MB) and 144.65 mg g−1 for rhodamine B (RhB), as a result of the contrast in the molecular size between each dye. The Langmuir and Freundlich models demonstrated a correlation with isotherms, while the thermodynamic analysis demonstrated that MIL-88B(Fe) exhibits distinct endothermic and breathable properties. The efficacy of MIL-88B(Fe) adsorbent for MB and RhB in aqueous solutions indicated exceptional performance, stability, and noteworthy reusability performance.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"32 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140243230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development and Validation of a Chromatographic Method for Ibrutinib Determination in Human and Porcine Skin 人和猪皮肤中伊布替尼色谱检测方法的开发与验证

Chemistry Pub Date : 2024-02-27 DOI: 10.3390/chemistry6020014

Lucas F. F. Albuquerque, Maria Victoria Souto, Felipe Saldanha-Araujo, J. L. Carvalho, Taís Gratieri, Marcilio Cunha-Filho, G. Gelfuso

{"title":"Development and Validation of a Chromatographic Method for Ibrutinib Determination in Human and Porcine Skin","authors":"Lucas F. F. Albuquerque, Maria Victoria Souto, Felipe Saldanha-Araujo, J. L. Carvalho, Taís Gratieri, Marcilio Cunha-Filho, G. Gelfuso","doi":"10.3390/chemistry6020014","DOIUrl":"https://doi.org/10.3390/chemistry6020014","url":null,"abstract":"Ibrutinib (IBR) is a tyrosine kinase inhibitor investigated for treating solid and non-solid tumors. Considering the advantages that a topical application of IBR could generate in terms of dose reduction and side effects in skin cancer treatment, this paper presents a simple and selective HPLC method for determining IBR concentration in in vitro skin permeation studies to support the development of topical formulations. The method uses a reversed-phase C18 column and a mobile phase composed of acetonitrile and 0.01 mol/L phosphoric acid at pH 3.5 (35:65 v/v), flowing at 1.0 mL/min. The oven temperature was set at 35 °C, the injection volume was 20 μL, and UV drug detection was performed at 259 nm. The validation procedure certified that this method was selective for IBR determination even when extracted from human or porcine skin matrices. The method was linear over a range of 0.2 to 15.0 μg/mL, precise, robust, and accurate, with recovery rates from the skin layers higher than 89.5 ± 5.9% for the porcine skin and higher than 92.0 ± 0.2% for the human skin. The limits of detection and quantification were 0.01 and 0.02 μg/mL, respectively. The method showed, therefore, to be adequate for use in further skin permeation studies employing IBR topical formulations.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"6 20","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140424663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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