Sefren Geiner Tumilaar, Ari Hardianto, Hirofumi Dohi, Dikdik Kurnia
Absorption of free radicals in the body cannot be done by antioxidant compounds originating from the human body, so exogenous antioxidants are required to help in their natural antioxidant action. Oxidative stress can be caused by an imbalance of free radical inhibitors and the accumulation of free radicals that enter cellular structures. Synthetic antioxidants found in external antioxidants are not the primary choice because they are harmful and carcinogenic. Therefore, using natural ingredients provides a necessary alternative to constructing novel natural antioxidants. Recent studies have highlighted critical analysis and evaluation that flavonoids are a unique class of secondary metabolites found in plants and used in communities as traditional therapeutics with proven bioactivity. This could support new discoveries based on various herbal medicines and in addition, the functional effectiveness of flavonoids as antioxidants against free radicals. In this review, there are several strengths in the discussion. First, the study takes a comprehensive approach by covering various aspects, including the properties and sources of free radicals, oxidative stress in relation to different diseases, antioxidant defense mechanisms, and the specific antioxidant mechanisms of flavonoids. Second, the focus on natural antioxidants, especially flavonoids, and also discussion about clinical applications and human studies, limitations, global perspectives, and future research directions of flavonoids compounds become references in the selection of natural medicines. But, several constraints should be considered when interpreting the findings of this review. First, the discussion about the mechanism of antioxidant compounds is only discussed in general and only takes one example of a compound (flavonoid) that has the potential as an antioxidant. Second, the lack of findings regarding the relationship between several diseases discussed with free radicals. Third, a limited number of studies investigated regarding clinical applications and human studies of some of the diseases discussed.
{"title":"A Comprehensive Review of Free Radicals, Oxidative Stress, and Antioxidants: Overview, Clinical Applications, Global Perspectives, Future Directions, and Mechanisms of Antioxidant Activity of Flavonoid Compounds","authors":"Sefren Geiner Tumilaar, Ari Hardianto, Hirofumi Dohi, Dikdik Kurnia","doi":"10.1155/2024/5594386","DOIUrl":"https://doi.org/10.1155/2024/5594386","url":null,"abstract":"Absorption of free radicals in the body cannot be done by antioxidant compounds originating from the human body, so exogenous antioxidants are required to help in their natural antioxidant action. Oxidative stress can be caused by an imbalance of free radical inhibitors and the accumulation of free radicals that enter cellular structures. Synthetic antioxidants found in external antioxidants are not the primary choice because they are harmful and carcinogenic. Therefore, using natural ingredients provides a necessary alternative to constructing novel natural antioxidants. Recent studies have highlighted critical analysis and evaluation that flavonoids are a unique class of secondary metabolites found in plants and used in communities as traditional therapeutics with proven bioactivity. This could support new discoveries based on various herbal medicines and in addition, the functional effectiveness of flavonoids as antioxidants against free radicals. In this review, there are several strengths in the discussion. First, the study takes a comprehensive approach by covering various aspects, including the properties and sources of free radicals, oxidative stress in relation to different diseases, antioxidant defense mechanisms, and the specific antioxidant mechanisms of flavonoids. Second, the focus on natural antioxidants, especially flavonoids, and also discussion about clinical applications and human studies, limitations, global perspectives, and future research directions of flavonoids compounds become references in the selection of natural medicines. But, several constraints should be considered when interpreting the findings of this review. First, the discussion about the mechanism of antioxidant compounds is only discussed in general and only takes one example of a compound (flavonoid) that has the potential as an antioxidant. Second, the lack of findings regarding the relationship between several diseases discussed with free radicals. Third, a limited number of studies investigated regarding clinical applications and human studies of some of the diseases discussed.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"39 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141188701","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}
Hatem Beddiar, Sameh Boudiba, Merzoug Benahmed, Karima Hanini, Alfred Ngenge Tamfu, Louiza Boudiba, Habiba Soltani, Hocine Laouer, Salah Akkal
This study explores Daucus crinitus extracts (DCE) and zinc oxide nanoparticles (ZnO-NPs) synthesized using the extracts as corrosion inhibitors for carbon steel (CS) in HCl medium. The synthesized ZnO-NPs were characterized via UV-vis spectroscopy, exhibiting a peak at approximately 375 nm. The study employed weight loss (WL) and electrochemical measurements, alongside spectrophotometric evaluation of corrosion products. Surface morphology was assessed via scanning electron microscopy coupled with energy dispersive spectroscopy (SEM-EDS). Thermodynamic analysis revealed the physical adsorption of DCE on CS according to the Freundlich adsorption isotherm. Potentiodynamic polarization (PP) measurements indicated DCE as a mixed-type corrosion inhibitor. Electrochemical impedance spectroscopy (EIS) exhibited increased charge transfer resistance and reduced double-layer capacitance with inhibitory addition. The most effective inhibition was observed with butanol extract (BE) and improved more with its corresponding nanoparticles (BENPs), exhibiting inhibitory efficiencies of 80.20% and 91.20%, respectively, at 298 K with a concentration of 800 ppm. The evaluation of corrosion products using colorimetry revealed that the concentration of polyphenols decreased after the inhibitory process. Furthermore, the intensity of ferrous ions (Fe2+) decreased as the inhibitory concentration increased. In addition, SEM-EDS analysis confirmed the presence of ZnO-NPs, which enhanced the surface morphology and established a protective layer formed by the adsorbed inhibitors. The SEM-EDS analysis confirmed the presence of ZnO-NPs, the enhancement of surface morphology, and the establishment of a protective layer formed by the adsorbed inhibitors.
{"title":"Evaluation of the Potential of Daucus crinitus Extracts and Their Synthesized ZnO Nanoparticles in Inhibiting the Corrosion of Carbon Steel","authors":"Hatem Beddiar, Sameh Boudiba, Merzoug Benahmed, Karima Hanini, Alfred Ngenge Tamfu, Louiza Boudiba, Habiba Soltani, Hocine Laouer, Salah Akkal","doi":"10.1155/2024/7703829","DOIUrl":"https://doi.org/10.1155/2024/7703829","url":null,"abstract":"This study explores <i>Daucus crinitus</i> extracts (DCE) and zinc oxide nanoparticles (ZnO-NPs) synthesized using the extracts as corrosion inhibitors for carbon steel (CS) in HCl medium. The synthesized ZnO-NPs were characterized via UV-vis spectroscopy, exhibiting a peak at approximately 375 nm. The study employed weight loss (WL) and electrochemical measurements, alongside spectrophotometric evaluation of corrosion products. Surface morphology was assessed via scanning electron microscopy coupled with energy dispersive spectroscopy (SEM-EDS). Thermodynamic analysis revealed the physical adsorption of DCE on CS according to the Freundlich adsorption isotherm. Potentiodynamic polarization (PP) measurements indicated DCE as a mixed-type corrosion inhibitor. Electrochemical impedance spectroscopy (EIS) exhibited increased charge transfer resistance and reduced double-layer capacitance with inhibitory addition. The most effective inhibition was observed with butanol extract (BE) and improved more with its corresponding nanoparticles (BENPs), exhibiting inhibitory efficiencies of 80.20% and 91.20%, respectively, at 298 K with a concentration of 800 ppm. The evaluation of corrosion products using colorimetry revealed that the concentration of polyphenols decreased after the inhibitory process. Furthermore, the intensity of ferrous ions (Fe<sup>2+</sup>) decreased as the inhibitory concentration increased. In addition, SEM-EDS analysis confirmed the presence of ZnO-NPs, which enhanced the surface morphology and established a protective layer formed by the adsorbed inhibitors. The SEM-EDS analysis confirmed the presence of ZnO-NPs, the enhancement of surface morphology, and the establishment of a protective layer formed by the adsorbed inhibitors.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"22 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141188506","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}
Aluminum can be found in water and vegetables in the form of the trivalent ion (Al3+), which can potentially contaminate food and water. Overconsumption of aluminum can lead to serious health problems in humans. Therefore, there is a need for an economical and simple procedure to detect the presence of aluminum. In this study, we synthesized a conjugate of Grewia asiatica extract with silver nanoparticles. The nanoparticle-stabilized fruit extract of Grewia asiatica was found to be an extremely selective sensor of Al3+ in tap water, DI water, industrial wastewater, and human blood plasma. We characterized the Grewia asiatica-conjugated silver nanoparticles (GA-AgNPs) using UV-visible, SEM, and AFM techniques and found that they were stable in an extensive pH range and different electrolyte concentrations up to 10 M NaCl. The GA-AgNPs were circular in shape with typical particle sizes of 65–97 nm. We inspected the photo physical properties of GA-AgNPs concerning metallic ions using UV-visible spectroscopy and found that they were highly selective for Al3+ ions, with no interfering ions detected in competitive experimentation. The absorption intensity of GA-AgNPs was directly related to Al3+ concentration over a wide range of concentrations (6.25–500 μM). Jobs plot experiment displayed 1 : 1 binding stoichiometry between GA-AgNPs, and Al3+. Additionally, GA-AgNPs were effectively utilized for the recognition of Al3+ in laboratory tap water, DI water, industrial wastewater, and human blood plasma.
{"title":"Synthesis and Characterization of Grewia asiatica-Stabilized Silver Nanoparticle as a Selective Probe for Al+3 in Tap, Deionized, Industrial Waste Water and Human Blood Plasma","authors":"Nasreen Begum, Itrat Anis, Shazia Haider, Tabinda Zarreen Mallick, Muhammad Iqbal Chaudhary","doi":"10.1155/2024/9961114","DOIUrl":"https://doi.org/10.1155/2024/9961114","url":null,"abstract":"Aluminum can be found in water and vegetables in the form of the trivalent ion (Al<sup>3+</sup>), which can potentially contaminate food and water. Overconsumption of aluminum can lead to serious health problems in humans. Therefore, there is a need for an economical and simple procedure to detect the presence of aluminum. In this study, we synthesized a conjugate of <i>Grewia asiatica</i> extract with silver nanoparticles. The nanoparticle-stabilized fruit extract of <i>Grewia asiatica</i> was found to be an extremely selective sensor of Al<sup>3+</sup> in tap water, DI water, industrial wastewater, and human blood plasma. We characterized the <i>Grewia asiatica</i>-conjugated silver nanoparticles (GA-AgNPs) using UV-visible, SEM, and AFM techniques and found that they were stable in an extensive pH range and different electrolyte concentrations up to 10 M NaCl. The GA-AgNPs were circular in shape with typical particle sizes of 65–97 nm. We inspected the photo physical properties of GA-AgNPs concerning metallic ions using UV-visible spectroscopy and found that they were highly selective for Al<sup>3+</sup> ions, with no interfering ions detected in competitive experimentation. The absorption intensity of GA-AgNPs was directly related to Al<sup>3+</sup> concentration over a wide range of concentrations (6.25–500 <i>μ</i>M). Jobs plot experiment displayed 1 : 1 binding stoichiometry between GA-AgNPs, and Al<sup>3+</sup>. Additionally, GA-AgNPs were effectively utilized for the recognition of Al<sup>3+</sup> in laboratory tap water, DI water, industrial wastewater, and human blood plasma.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"97 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141170327","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}
Qahir Shah, Jahangir Khan Achakzai, Muhammad Anwar Panezai, Basira Akhtar, Abdul Manan Kakar, Ali Akbar, Shahabuddin Kakar, Nisar Ahmed Shahwani, Javed Khan, Nazima Yousaf Khan, Ghulam Mustafa Khan, Nizam Baloch, Bakht Zareen Rahim, Noor Hassan
Calotropis procera is a medicinal, traditional, and therapeutic plant in Pakistan. In this research study, the biological activities, for instance, anticancer, antileishmanial, antibacterial, antifungal, anti-inflammatory, and brine shrimp lethality assay and GC-MS are studied. MTT assay, antileishmanial bioassay, microplate Alamar Blue assay, agar tube dilution method, oxidative burst assay using chemiluminescence technique, B-hatching techniques, and triple quadrupole acquisition method MS parameters were the methods used for anticancer, antileishmanial, antibacterial, antifungal, anti-inflammatory, brine shrimp lethality assay, and gas chromatography-mass spectrometry. Whole plant methanol extract of Calotropis procera (WMECP) inhibited 69.1% of the growth of HeLa cell line with an IC50 value of 3.1 ± 0.4 and whole plant n-hexane fraction of Calotropis procera (WHFCP) and whole plant and aqueous fraction of Calotropis procera (WAFCP) inhibited the growth by 70.2% and 65.2% with IC50 values of 5.0 ± 0.3 and 17.1 ± 1.0. Whole plant methanol extract of Calotropis procera (WMECP) inhibited 70.1% of the growth of the PC3 cell line with an IC50 value of 5.1 ± 0.3 and whole plant n-hexane fraction of Calotropis procera (WHFCP) and whole plant aqueous fraction of Calotropis procera (WAFCP) inhibited 61.6% and 59.7% with IC50 values of 3.7 ± 0.5 and 16.4 ± 1.0. None of the extract and fractions of Calotropis procera showed anticancer activities against the 3T3 cell line. None of the extract and fractions of Calotropis procera showed antileishmanial, antibacterial, antifungal, and anti-inflammatory activities. Whole plant methanol extract of Calotropis procera (WMECP) exhibited lethality at the highest concentration while other fractions did not exhibit lethality. GC-MS studies revealed that the whole plant methanol extract of Calotropis procera (WMECP) consists of 11 compounds, whole plant n-hexane fraction of Calotropis procera (WHFCP) consists of 9 compounds, and whole plant aqueous fraction of Calotropis procera (WAFCP) consists of 7 compounds.
{"title":"In Vitro Biological and GC-MS Analysis of Whole Plant Calotropis procera","authors":"Qahir Shah, Jahangir Khan Achakzai, Muhammad Anwar Panezai, Basira Akhtar, Abdul Manan Kakar, Ali Akbar, Shahabuddin Kakar, Nisar Ahmed Shahwani, Javed Khan, Nazima Yousaf Khan, Ghulam Mustafa Khan, Nizam Baloch, Bakht Zareen Rahim, Noor Hassan","doi":"10.1155/2024/2012983","DOIUrl":"https://doi.org/10.1155/2024/2012983","url":null,"abstract":"<i>Calotropis procera</i> is a medicinal, traditional, and therapeutic plant in Pakistan. In this research study, the biological activities, for instance, anticancer, antileishmanial, antibacterial, antifungal, anti-inflammatory, and brine shrimp lethality assay and GC-MS are studied. MTT assay, antileishmanial bioassay, microplate Alamar Blue assay, agar tube dilution method, oxidative burst assay using chemiluminescence technique, B-hatching techniques, and triple quadrupole acquisition method MS parameters were the methods used for anticancer, antileishmanial, antibacterial, antifungal, anti-inflammatory, brine shrimp lethality assay, and gas chromatography-mass spectrometry. Whole plant methanol extract of <i>Calotropis procera</i> (WMECP) inhibited 69.1% of the growth of HeLa cell line with an IC<sub>50</sub> value of 3.1 ± 0.4 and whole plant n-hexane fraction of <i>Calotropis procera</i> (WHFCP) and whole plant and aqueous fraction of <i>Calotropis procera</i> (WAFCP) inhibited the growth by 70.2% and 65.2% with IC<sub>50</sub> values of 5.0 ± 0.3 and 17.1 ± 1.0. Whole plant methanol extract of <i>Calotropis procera</i> (WMECP) inhibited 70.1% of the growth of the PC3 cell line with an IC<sub>50</sub> value of 5.1 ± 0.3 and whole plant n-hexane fraction of <i>Calotropis procera</i> (WHFCP) and whole plant aqueous fraction of <i>Calotropis procera</i> (WAFCP) inhibited 61.6% and 59.7% with IC<sub>50</sub> values of 3.7 ± 0.5 and 16.4 ± 1.0. None of the extract and fractions of <i>Calotropis procera</i> showed anticancer activities against the 3T3 cell line. None of the extract and fractions of <i>Calotropis procera</i> showed antileishmanial, antibacterial, antifungal, and anti-inflammatory activities. Whole plant methanol extract of <i>Calotropis procera</i> (WMECP) exhibited lethality at the highest concentration while other fractions did not exhibit lethality. GC-MS studies revealed that the whole plant methanol extract of <i>Calotropis procera</i> (WMECP) consists of 11 compounds, whole plant n-hexane fraction of <i>Calotropis procera</i> (WHFCP) consists of 9 compounds, and whole plant aqueous fraction of <i>Calotropis procera</i> (WAFCP) consists of 7 compounds.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"23 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141170408","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}
Meghalatha T. S., Arumugam Suresh, Muninathan Natrajan, Kuppusamy Baskaran, Shobana Sampath, Elumalai Perumal, E. Madhav, Mohammad Z. Ahmed, Ali S. Alqahtani, Shadab Kazmi, Asaithambi Perumal
Cancer is a serious health problem, with a rising trend in its occurrence documented globally. Female breast cancer is the most common type of cancer worldwide with treatment consisting of different strategies like mastectomy, chemotherapy, and radiotherapy. Anticancer property has been studied in withaferin-A (WA), a bioactive compound of Withania somnifera. Another natural substance derived from bees, propolis, has been investigated for many beneficial effects on human diseases. The current study aims to investigate the ameliorative efficacy and antiproliferative potential of combinational drug therapy of withaferin-A and propolis on breast cancer cells. By evaluating the levels of glycoproteins, nucleic acids, and the marker enzymes in benzo[a]pyrene-induced breast cancer-bearing female Wistar rats, the pharmacodynamic effects of withaferin-A and propolis drug combination were examined. Biochemical analysis of DNA, RNA, and protein levels in the liver demonstrated typical results after propolis therapy. Withaferin-A and propolis drug combination treatment significantly decreased nucleic acid synthesis, indicating that combination chemotherapy has increased breast tumoricidal efficiency. The pharmacological combination therapy exhibited the capacity to control glycoproteins associated with tumor growth (hexose, hexosamine, and sialic acid), with a considerable decrease in their levels detected. Histopathological analysis of the mammary glands demonstrated a decrease in hyperplasia and cell proliferation, indicating that the treatment has the ability to reverse architectural and morphological abnormalities associated with breast cancer. This study found that natural drug compounds in combination have shown regenerative and regulating effects when given to rats carrying the breast cancer gene.
{"title":"Therapeutic Potential of Withaferin-A and Propolis Combinational Drug Therapy for Breast Cancer: An In Vivo Interpretation for Validating the Antiproliferative Efficacy and Ameliorative Potential in Benzo[a]pyrene-Induced Breast Metastasis","authors":"Meghalatha T. S., Arumugam Suresh, Muninathan Natrajan, Kuppusamy Baskaran, Shobana Sampath, Elumalai Perumal, E. Madhav, Mohammad Z. Ahmed, Ali S. Alqahtani, Shadab Kazmi, Asaithambi Perumal","doi":"10.1155/2024/8491275","DOIUrl":"https://doi.org/10.1155/2024/8491275","url":null,"abstract":"Cancer is a serious health problem, with a rising trend in its occurrence documented globally. Female breast cancer is the most common type of cancer worldwide with treatment consisting of different strategies like mastectomy, chemotherapy, and radiotherapy. Anticancer property has been studied in withaferin-A (WA), a bioactive compound of <i>Withania somnifera.</i> Another natural substance derived from bees, propolis, has been investigated for many beneficial effects on human diseases. The current study aims to investigate the ameliorative efficacy and antiproliferative potential of combinational drug therapy of withaferin-A and propolis on breast cancer cells. By evaluating the levels of glycoproteins, nucleic acids, and the marker enzymes in benzo[a]pyrene-induced breast cancer-bearing female Wistar rats, the pharmacodynamic effects of withaferin-A and propolis drug combination were examined. Biochemical analysis of DNA, RNA, and protein levels in the liver demonstrated typical results after propolis therapy. Withaferin-A and propolis drug combination treatment significantly decreased nucleic acid synthesis, indicating that combination chemotherapy has increased breast tumoricidal efficiency. The pharmacological combination therapy exhibited the capacity to control glycoproteins associated with tumor growth (hexose, hexosamine, and sialic acid), with a considerable decrease in their levels detected. Histopathological analysis of the mammary glands demonstrated a decrease in hyperplasia and cell proliferation, indicating that the treatment has the ability to reverse architectural and morphological abnormalities associated with breast cancer. This study found that natural drug compounds in combination have shown regenerative and regulating effects when given to rats carrying the breast cancer gene.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140935063","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}
Stanley Numbonui Tasheh, Nyiang Kennet Nkungli, Charly Tedjeuguim Tsapi, Dodo Lydie Ajifac, Julius Numbonui Ghogomu
In silico investigation of the effects of a molecule’s framework and surroundings on its nonlinear optical (NLO) response is still an active topic of study in the fields of photonics and optoelectronics. NLO materials play a crucial role in modern photonics and optoelectronic technologies. Presented here is a comprehensive theoretical analysis of the structural, topological, and NLO features of 1-methylurea butanedioic acid (MUBA) alongside solvent effects (water, DMSO, and benzene) using the DFT method at the B3LYP(D4)/6–311++G(d,p) level. Geometric and infrared parameters were calculated and compared with experimental values. The analysis using atoms in molecules (AIM) and the independent gradient model (IGM) reveals the presence of two noncovalent intermolecular interactions: N<sub>4</sub>–H<sub>16</sub>⋯O<sub>12</sub> and O<sub>6</sub>–H<sub>25</sub>⋯O<sub>3</sub>, which stabilize the crystal structure. The natural bond orbital (NBO) analysis reveals that the LP(1)N<sub>4</sub> ⟶ <svg height="10.3089pt" style="vertical-align:-0.2063999pt" version="1.1" viewbox="-0.0498162 -10.1025 13.8905 10.3089" width="13.8905pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"></path></g><g transform="matrix(.0091,0,0,-0.0091,7.684,-5.741)"></path></g></svg>(C<sub>2</sub>-O<sub>3</sub>) interaction is the most stabilizing and is enhanced in solvent environments. NLO data show that the first (<span><svg height="12.7178pt" style="vertical-align:-3.42947pt" version="1.1" viewbox="-0.0498162 -9.28833 17.9278 12.7178" width="17.9278pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"></path></g><g transform="matrix(.0091,0,0,-0.0091,7.228,3.132)"></path></g><g transform="matrix(.0091,0,0,-0.0091,9.949,3.132)"></path></g><g transform="matrix(.0091,0,0,-0.0091,14.489,3.132)"><use xlink:href="#g190-117"></use></g></svg>)</span> and second (<span><svg height="12.7178pt" style="vertical-align:-3.42947pt" version="1.1" viewbox="-0.0498162 -9.28833 17.4153 12.7178" width="17.4153pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"></path></g><g transform="matrix(.013,0,0,-0.013,5.369,0)"></path></g><g transform="matrix(.013,0,0,-0.013,11.885,0)"></path></g></svg>)</span> hyperpolarizability values of MUBA are approximately 0.6–1.1 and 8.3–17.0 times higher than those of urea. In addition, the quadratic and cubic responses of MUBA are significantly reduced and increased, respectively, in solvent environments. Based on its NLO susceptibilities, MUBA exhibits SHG, EOPE, OKE, and EFISHG properties, suggesting its potential application in the production of optoelectronic devices and optical limiting. This study enhances our understanding of the factors influencing the NLO behaviour of organic crystals, providing valuable insights for designing materials with en
{"title":"Computational Evaluation of the Structural, Topological, and Solvent Effects on the Nonlinear Optical Properties of 1-Methylurea Butanedioic Acid Crystal","authors":"Stanley Numbonui Tasheh, Nyiang Kennet Nkungli, Charly Tedjeuguim Tsapi, Dodo Lydie Ajifac, Julius Numbonui Ghogomu","doi":"10.1155/2024/9307714","DOIUrl":"https://doi.org/10.1155/2024/9307714","url":null,"abstract":"In silico investigation of the effects of a molecule’s framework and surroundings on its nonlinear optical (NLO) response is still an active topic of study in the fields of photonics and optoelectronics. NLO materials play a crucial role in modern photonics and optoelectronic technologies. Presented here is a comprehensive theoretical analysis of the structural, topological, and NLO features of 1-methylurea butanedioic acid (MUBA) alongside solvent effects (water, DMSO, and benzene) using the DFT method at the B3LYP(D4)/6–311++G(d,p) level. Geometric and infrared parameters were calculated and compared with experimental values. The analysis using atoms in molecules (AIM) and the independent gradient model (IGM) reveals the presence of two noncovalent intermolecular interactions: N<sub>4</sub>–H<sub>16</sub>⋯O<sub>12</sub> and O<sub>6</sub>–H<sub>25</sub>⋯O<sub>3</sub>, which stabilize the crystal structure. The natural bond orbital (NBO) analysis reveals that the LP(1)N<sub>4</sub> ⟶ <svg height=\"10.3089pt\" style=\"vertical-align:-0.2063999pt\" version=\"1.1\" viewbox=\"-0.0498162 -10.1025 13.8905 10.3089\" width=\"13.8905pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g transform=\"matrix(.013,0,0,-0.013,0,0)\"></path></g><g transform=\"matrix(.0091,0,0,-0.0091,7.684,-5.741)\"></path></g></svg>(C<sub>2</sub>-O<sub>3</sub>) interaction is the most stabilizing and is enhanced in solvent environments. NLO data show that the first (<span><svg height=\"12.7178pt\" style=\"vertical-align:-3.42947pt\" version=\"1.1\" viewbox=\"-0.0498162 -9.28833 17.9278 12.7178\" width=\"17.9278pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g transform=\"matrix(.013,0,0,-0.013,0,0)\"></path></g><g transform=\"matrix(.0091,0,0,-0.0091,7.228,3.132)\"></path></g><g transform=\"matrix(.0091,0,0,-0.0091,9.949,3.132)\"></path></g><g transform=\"matrix(.0091,0,0,-0.0091,14.489,3.132)\"><use xlink:href=\"#g190-117\"></use></g></svg>)</span> and second (<span><svg height=\"12.7178pt\" style=\"vertical-align:-3.42947pt\" version=\"1.1\" viewbox=\"-0.0498162 -9.28833 17.4153 12.7178\" width=\"17.4153pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g transform=\"matrix(.013,0,0,-0.013,0,0)\"></path></g><g transform=\"matrix(.013,0,0,-0.013,5.369,0)\"></path></g><g transform=\"matrix(.013,0,0,-0.013,11.885,0)\"></path></g></svg>)</span> hyperpolarizability values of MUBA are approximately 0.6–1.1 and 8.3–17.0 times higher than those of urea. In addition, the quadratic and cubic responses of MUBA are significantly reduced and increased, respectively, in solvent environments. Based on its NLO susceptibilities, MUBA exhibits SHG, EOPE, OKE, and EFISHG properties, suggesting its potential application in the production of optoelectronic devices and optical limiting. This study enhances our understanding of the factors influencing the NLO behaviour of organic crystals, providing valuable insights for designing materials with en","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"13 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140935157","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}
The study aims to understand the hydrochemical characteristics and groundwater suitability for agricultural and drinking purposes. For this purpose, 21 groundwater samples were collected, and major physicochemical parameters such as pH, EC, TDS, temp, salinity, Ca2+, Mg2+, Na+, K+, HCO3−, Cl−, and SO42− were analyzed, followed by the standard analytical procedures. Different groundwater quality graphical representations were constructed by using Aqua Chem software. The results indicate groundwater samples were alkaline with fresh to moderate saline in nature, sixty-eight percent of the samples were suitable for drinking in accordance with WHO, and thirty-two percent of the samples were unsuitable due to the excess amount of different ionic concentrations derived from natural and various anthropogenic sources. Irrigation water quality parameters such as SAR, EC, PI, Na %, RSBC, MR, and KR were used to understand the irrigation suitability. The US salinity diagram exemplifies that most groundwater samples fall in the C3S1 category with high salinity hazard and low alkali hazard. The Wilcox plot reveals that 80% of the samples were found under very good to permissible limits, and few samples fall with doubtful to unsuitable quality due to the excess amount of alkali and salinity. Permeability index values show that groundwater is suitable for irrigation. Three major hydrochemical facies were identified with the dominance order of mixed CaMgCl, NaCl, and CaCl. Gibb’s plot suggests that evaporation and rock-water interaction are the dominant natural mechanisms controlling the groundwater chemistry in the present study area.
{"title":"Groundwater Quality and Suitability Assessment in Tirupur Region, Tamil Nadu, India","authors":"Kumar G., Saravanan Kothandaraman, Kathiresan Karuppanan, Sajjad Hussain","doi":"10.1155/2024/6083772","DOIUrl":"https://doi.org/10.1155/2024/6083772","url":null,"abstract":"The study aims to understand the hydrochemical characteristics and groundwater suitability for agricultural and drinking purposes. For this purpose, 21 groundwater samples were collected, and major physicochemical parameters such as pH, EC, TDS, temp, salinity, Ca<sup>2+</sup>, Mg<sup>2+</sup>, Na<sup>+</sup>, K<sup>+</sup>, HCO<sub>3</sub><sup>−</sup>, Cl<sup>−</sup>, and SO<sub>4</sub><sup>2−</sup> were analyzed, followed by the standard analytical procedures. Different groundwater quality graphical representations were constructed by using Aqua Chem software. The results indicate groundwater samples were alkaline with fresh to moderate saline in nature, sixty-eight percent of the samples were suitable for drinking in accordance with WHO, and thirty-two percent of the samples were unsuitable due to the excess amount of different ionic concentrations derived from natural and various anthropogenic sources. Irrigation water quality parameters such as SAR, EC, PI, Na %, RSBC, MR, and KR were used to understand the irrigation suitability. The US salinity diagram exemplifies that most groundwater samples fall in the C3S1 category with high salinity hazard and low alkali hazard. The Wilcox plot reveals that 80% of the samples were found under very good to permissible limits, and few samples fall with doubtful to unsuitable quality due to the excess amount of alkali and salinity. Permeability index values show that groundwater is suitable for irrigation. Three major hydrochemical facies were identified with the dominance order of mixed CaMgCl, NaCl, and CaCl. Gibb’s plot suggests that evaporation and rock-water interaction are the dominant natural mechanisms controlling the groundwater chemistry in the present study area.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"2 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140593973","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}
Mohammed Kelif Ibro, Venkata Ramayya Ancha, Dejene Beyene Lemma
Many operational parameters, either discretely or collectively, can influence the biodegradation performance towards enhancing biogas yield and quality. Among the operating parameters, organic loading rate (OLR), inoculum-substrate ratio, and carbon-nitrogen ratio (C/N) are the most critical parameters in the optimization and enhancement of biogas yield. Optimization of the biogas production processes depends on the ability of anaerobic microorganisms to respond to variations in operational parameters such as pH, redox potential, and intermediate products to enhance the biogas yield. This review article focuses on the role of process parameters, kinetic models, artificial intelligence, Aspen Plus (AP), and anaerobic digestion model no. 1 (ADM1) in optimizing biogas yield via an anaerobic codigestion (AcoD) process. The review showed that biomaterials codigestion upgraded biogas yield to the extent of 400%, and organic removal efficiency reached up to 90% compared to a single substrate. In addition, the current work has verified that the kinetic model is the most effective tool for signifying that the hydrolysis phase is the rate-limiting step, whereas AP is the most effective tool in the design and optimization of the AcoD process parameters. The reviewed kinetic and AI models show strong correlation values ranging from 0.931 to 0.9991 and 0.8700 to 0.9998, respectively. The AcoD system involves complex chemical reactions, but AP might have limitations in representing such complex chemical processes with nonideal behavior and complicated reaction mechanisms. The design and optimization of AcoD with reliable input parameters are highly limited or nonexistent. The AcoD process design with AP opens fresh research opportunities, including improved efficiency, finding appropriate retention time, and saving time, as well as finding the optimum biogas yield. This review article gives an insightful understanding of AcoD process parameter optimization and valuable strategies for policy development enhancing sustainability in the biogas sector.
许多操作参数，无论是单独的还是集体的，都会影响生物降解性能，从而提高沼气产量和质量。在这些操作参数中，有机负荷率（OLR）、接种物与基质比和碳氮比（C/N）是优化和提高沼气产量的最关键参数。沼气生产过程的优化取决于厌氧微生物对 pH 值、氧化还原电位和中间产物等操作参数变化的反应能力，以提高沼气产量。这篇综述文章的重点是工艺参数、动力学模型、人工智能、Aspen Plus（AP）和厌氧消化模型 No.1（ADM1）在通过厌氧消化（AcoD）工艺优化沼气产量方面的作用。研究结果表明，与单一基质相比，生物材料联合消化可将沼气产量提高 400%，有机物去除效率高达 90%。此外，目前的工作还验证了动力学模型是表明水解阶段是限速步骤的最有效工具，而 AP 则是设计和优化 AcoD 工艺参数的最有效工具。经审查的动力学模型和人工合成模型分别显示出 0.931 至 0.9991 和 0.8700 至 0.9998 的强相关值。AcoD 系统涉及复杂的化学反应，但 AP 在表示这种具有非理想行为和复杂反应机制的复杂化学过程时可能存在局限性。使用可靠的输入参数进行 AcoD 的设计和优化非常有限或根本不存在。使用 AP 进行 AcoD 工艺设计开辟了新的研究机会，包括提高效率、寻找合适的停留时间、节省时间以及寻找最佳沼气产量。这篇综述文章深入浅出地介绍了 AcoD 工艺参数优化和有价值的沼气行业可持续发展政策制定策略。
{"title":"Biogas Production Optimization in the Anaerobic Codigestion Process: A Critical Review on Process Parameters Modeling and Simulation Tools","authors":"Mohammed Kelif Ibro, Venkata Ramayya Ancha, Dejene Beyene Lemma","doi":"10.1155/2024/4599371","DOIUrl":"https://doi.org/10.1155/2024/4599371","url":null,"abstract":"Many operational parameters, either discretely or collectively, can influence the biodegradation performance towards enhancing biogas yield and quality. Among the operating parameters, organic loading rate (OLR), inoculum-substrate ratio, and carbon-nitrogen ratio (C/N) are the most critical parameters in the optimization and enhancement of biogas yield. Optimization of the biogas production processes depends on the ability of anaerobic microorganisms to respond to variations in operational parameters such as pH, redox potential, and intermediate products to enhance the biogas yield. This review article focuses on the role of process parameters, kinetic models, artificial intelligence, Aspen Plus (AP), and anaerobic digestion model no. 1 (ADM1) in optimizing biogas yield via an anaerobic codigestion (AcoD) process. The review showed that biomaterials codigestion upgraded biogas yield to the extent of 400%, and organic removal efficiency reached up to 90% compared to a single substrate. In addition, the current work has verified that the kinetic model is the most effective tool for signifying that the hydrolysis phase is the rate-limiting step, whereas AP is the most effective tool in the design and optimization of the AcoD process parameters. The reviewed kinetic and AI models show strong correlation values ranging from 0.931 to 0.9991 and 0.8700 to 0.9998, respectively. The AcoD system involves complex chemical reactions, but AP might have limitations in representing such complex chemical processes with nonideal behavior and complicated reaction mechanisms. The design and optimization of AcoD with reliable input parameters are highly limited or nonexistent. The AcoD process design with AP opens fresh research opportunities, including improved efficiency, finding appropriate retention time, and saving time, as well as finding the optimum biogas yield. This review article gives an insightful understanding of AcoD process parameter optimization and valuable strategies for policy development enhancing sustainability in the biogas sector.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"53 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140593963","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}
<i>Purpose</i>. The present study aimed to improve the aqueous solubility, permeability, bioavailability, and nootropic potential of standardized <i>Emblica officinalis</i> extract (EOE) by developing a novel phytosomal formulation. <i>Method</i>. <i>Emblica officinalis</i> extract-loaded phytosomes (EOPs) were prepared using solvent evaporation. The EOP was prepared at different molar ratios of extract and phospholipid. Herein, the effects of phospholipid extract ratio (A), temperature (B), and reaction time (C) were systematically investigated on entrapment efficiency using Box-Behnken design. <i>In vitro</i> and <i>in vivo</i> characterizations of the optimized formulation were performed. <i>Results</i>. Optimized EOP formulation (89.90 ± 0.24 <i>μ</i>g/ml) exhibited improved aqueous solubility than plain EOE (11.85 ± 0.25 <i>μ</i>g/ml). The optimized formulation’s particle size and Zeta potential were 198.4 ± 0.20 nm and −39.0 ± 0.40 mv. DSC and XRD studies confirmed the partial amorphization of EOE in phytosomes. Optimized formulation exhibited 69.82 ± 0.17% of EOE release at 12 h and followed zero-order release kinetics. Moreover, the phytosomal formulation of EOE exhibited its rationality with an improvement of bioavailability by 2.7 folds compared with pure EOE. Compared to EOE, EOP showed significantly (<span><svg height="12.7178pt" style="vertical-align:-3.42947pt" version="1.1" viewbox="-0.0498162 -9.28833 18.973 12.7178" width="18.973pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"></path></g><g transform="matrix(.013,0,0,-0.013,11.342,0)"></path></g></svg><span></span><svg height="12.7178pt" style="vertical-align:-3.42947pt" version="1.1" viewbox="22.555183800000002 -9.28833 26.436 12.7178" width="26.436pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,22.605,0)"></path></g><g transform="matrix(.013,0,0,-0.013,28.845,0)"></path></g><g transform="matrix(.013,0,0,-0.013,31.809,0)"><use xlink:href="#g113-49"></use></g><g transform="matrix(.013,0,0,-0.013,38.049,0)"></path></g><g transform="matrix(.013,0,0,-0.013,44.289,0)"></path></g></svg></span> lower escape and transfer latencies on both days in MWMT and EPMT, indicating more effective memory-enhancing activity. Furthermore, EOP-treated rats exhibited improved acetylcholine (Ach) levels than EOE. Brain tissue concentrations measured following EOP oral administration (1.06 ± 0.04 <i>μ</i>g/ml) were substantially greater (<span><svg height="11.7782pt" style="vertical-align:-3.42938pt" version="1.1" viewbox="-0.0498162 -8.34882 18.973 11.7782" width="18.973pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><use xlink:href="#g113-113"></use></g><g transform="matrix(.013,0,0,-0.013,11.342,0)"><use xlink:href="#g117-91"></use></g></svg><span></span><span><svg height="11.7782
{"title":"Novel Phytosomal Formulation of Emblica officinalis Extracts with Its In Vivo Nootropic Potential in Rats: Optimization and Development by Box-Behnken Design","authors":"Varsha Mane, Suresh Killedar, Harinath More, Sameer Nadaf, Sachin Salunkhe, Harshal Tare","doi":"10.1155/2024/6644815","DOIUrl":"https://doi.org/10.1155/2024/6644815","url":null,"abstract":"<i>Purpose</i>. The present study aimed to improve the aqueous solubility, permeability, bioavailability, and nootropic potential of standardized <i>Emblica officinalis</i> extract (EOE) by developing a novel phytosomal formulation. <i>Method</i>. <i>Emblica officinalis</i> extract-loaded phytosomes (EOPs) were prepared using solvent evaporation. The EOP was prepared at different molar ratios of extract and phospholipid. Herein, the effects of phospholipid extract ratio (A), temperature (B), and reaction time (C) were systematically investigated on entrapment efficiency using Box-Behnken design. <i>In vitro</i> and <i>in vivo</i> characterizations of the optimized formulation were performed. <i>Results</i>. Optimized EOP formulation (89.90 ± 0.24 <i>μ</i>g/ml) exhibited improved aqueous solubility than plain EOE (11.85 ± 0.25 <i>μ</i>g/ml). The optimized formulation’s particle size and Zeta potential were 198.4 ± 0.20 nm and −39.0 ± 0.40 mv. DSC and XRD studies confirmed the partial amorphization of EOE in phytosomes. Optimized formulation exhibited 69.82 ± 0.17% of EOE release at 12 h and followed zero-order release kinetics. Moreover, the phytosomal formulation of EOE exhibited its rationality with an improvement of bioavailability by 2.7 folds compared with pure EOE. Compared to EOE, EOP showed significantly (<span><svg height=\"12.7178pt\" style=\"vertical-align:-3.42947pt\" version=\"1.1\" viewbox=\"-0.0498162 -9.28833 18.973 12.7178\" width=\"18.973pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g transform=\"matrix(.013,0,0,-0.013,0,0)\"></path></g><g transform=\"matrix(.013,0,0,-0.013,11.342,0)\"></path></g></svg><span></span><svg height=\"12.7178pt\" style=\"vertical-align:-3.42947pt\" version=\"1.1\" viewbox=\"22.555183800000002 -9.28833 26.436 12.7178\" width=\"26.436pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g transform=\"matrix(.013,0,0,-0.013,22.605,0)\"></path></g><g transform=\"matrix(.013,0,0,-0.013,28.845,0)\"></path></g><g transform=\"matrix(.013,0,0,-0.013,31.809,0)\"><use xlink:href=\"#g113-49\"></use></g><g transform=\"matrix(.013,0,0,-0.013,38.049,0)\"></path></g><g transform=\"matrix(.013,0,0,-0.013,44.289,0)\"></path></g></svg></span> lower escape and transfer latencies on both days in MWMT and EPMT, indicating more effective memory-enhancing activity. Furthermore, EOP-treated rats exhibited improved acetylcholine (Ach) levels than EOE. Brain tissue concentrations measured following EOP oral administration (1.06 ± 0.04 <i>μ</i>g/ml) were substantially greater (<span><svg height=\"11.7782pt\" style=\"vertical-align:-3.42938pt\" version=\"1.1\" viewbox=\"-0.0498162 -8.34882 18.973 11.7782\" width=\"18.973pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g transform=\"matrix(.013,0,0,-0.013,0,0)\"><use xlink:href=\"#g113-113\"></use></g><g transform=\"matrix(.013,0,0,-0.013,11.342,0)\"><use xlink:href=\"#g117-91\"></use></g></svg><span></span><span><svg height=\"11.7782","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"66 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140594163","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}
The antioxidative and therapeutic properties of Rheum ribes, a plant indigenous to Turkey, have been extensively researched. However, little attention has been paid to compounds extracted from R. ribes shells. This study focused on assessing the phenolic compound content and antioxidative capabilities of R. ribes shells. We identified 44 out of 88 phytochemical compounds present in these shells using liquid chromatography-high-resolution mass spectrometry. Among these compounds, rutin hydrate M-OH2, kuromanine, and procyanidin B2 emerged as the most abundant, whereas sinapic acid had the lowest concentration. Furthermore, antioxidant activity was determined using the 2,2-diphenyl-1-picrylhydrazyl assay, with the R. ribes shell extract exhibiting an activity level of 1.06 ± 0.3 mg Trolox equivalent/g of sample. In summary, this research explored the potential health advantages of R. ribes shells, thereby offering valuable insights for discovering novel bioactive compounds in natural resources for future drug development.
{"title":"Phenolic Compound Content and Antioxidant Activity of Rheum ribes Shells","authors":"İdris Yolbaş","doi":"10.1155/2024/9151180","DOIUrl":"https://doi.org/10.1155/2024/9151180","url":null,"abstract":"The antioxidative and therapeutic properties of <i>Rheum ribes</i>, a plant indigenous to Turkey, have been extensively researched. However, little attention has been paid to compounds extracted from <i>R. ribes</i> shells. This study focused on assessing the phenolic compound content and antioxidative capabilities of <i>R. ribes</i> shells. We identified 44 out of 88 phytochemical compounds present in these shells using liquid chromatography-high-resolution mass spectrometry. Among these compounds, rutin hydrate M-OH<sub>2</sub>, kuromanine, and procyanidin B2 emerged as the most abundant, whereas sinapic acid had the lowest concentration. Furthermore, antioxidant activity was determined using the 2,2-diphenyl-1-picrylhydrazyl assay, with the <i>R. ribes</i> shell extract exhibiting an activity level of 1.06 ± 0.3 mg Trolox equivalent/g of sample. In summary, this research explored the potential health advantages of <i>R. ribes</i> shells, thereby offering valuable insights for discovering novel bioactive compounds in natural resources for future drug development.","PeriodicalId":15348,"journal":{"name":"Journal of Chemistry","volume":"48 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140593835","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}
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