Kuwait Journal of Science最新文献

{"title":"A review on multi-therapeutic potential of the Mitragyna speciosa (kratom) alkaloids mitragynine and 7-hydroxymitragynine: Experimental evidence and future perspectives","authors":"Taslima Begum ,&nbsp;Mohd Hafiz Arzmi ,&nbsp;Murni Nazira Sarian ,&nbsp;Syed Adnan Ali Shah ,&nbsp;Syed Najmul Hejaz Azmi ,&nbsp;ABM Helal Uddin ,&nbsp;Alfi Khatib ,&nbsp;Qamar Uddin Ahmed","doi":"10.1016/j.kjs.2025.100381","DOIUrl":"10.1016/j.kjs.2025.100381","url":null,"abstract":"<div><div><em>Mitragyna speciosa</em> (kratom) is a traditional medicinal plant of Southeast Asia, known for its pharmacologically active alkaloids, mitragynine and 7-hydroxymitragynine. The chemistry, isolation, pharmacological properties, and toxicities of these two compounds have been studied by a wide range of scientific studies. However, thus far, there is no comprehensive review of mitragynine, 7-hydroxymitragynine, and their related compounds. Therefore, this review analyzed 150 papers from PubMed®, ScienceDirect, and Google Scholar to provide information on the chemistry, method of synthesis and extraction, biological effects, and toxicities of mitragynine and 7-hydroxymitragynine. Additionally, the existing research gaps were identified and recommendations for future research were provided. It was observed that most studies focused on <em>Mitragyna speciosa</em> leaves, with little to no research conducted on other parts of the plant, particularly the flowers. Furthermore, there is still a lack of less costly and time-consuming protocols to obtain the two major alkaloids from different parts of the plant. Finally, most studies have focused on these two alkaloids to explore their pharmacological effects, although some studies have shown that other alkaloids exhibit better pharmacological activity.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100381"},"PeriodicalIF":1.2,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Potential effectiveness of Morchella conica and Morchella esculenta extracts against carbapenem resistant Acinetobacter baumannii","authors":"Faiz Ul Haq ,&nbsp;Muhammad Imran ,&nbsp;Sidrah Saleem ,&nbsp;Usman Aftab ,&nbsp;Özge Süfer ,&nbsp;Muhsin Jamal ,&nbsp;Fatema Gaffar","doi":"10.1016/j.kjs.2025.100380","DOIUrl":"10.1016/j.kjs.2025.100380","url":null,"abstract":"<div><div><em>Acinetobacter baumannii</em> is an important opportunistic bacterium causing nosocomial infections. According to the World Health Organization (WHO), <em>A. baumannii</em> is a top-priority bacterium for the search for novel antibacterial agents. This study was planned to assess the potential antibacterial effects of <em>Morchella conica</em> and <em>Morchella esculenta</em> against carbapenem-resistant <em>Acinetobacter baumannii</em> (CRAB). All the <em>Morchella conica</em> and <em>Morchella esculenta</em> extracts were analyzed for potential antibacterial activities by disk diffusion and standard broth microdilution techniques. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) activities of <em>Morchella</em> extracts against both clinical and standard American type culture collection (ATCC) strains of CRAB were noted in the current study. Furthermore, ultra-performance liquid chromatography mass spectroscopy (UPLC-MS) of both <em>Morchella</em> species was performed to reveal the chemical compositions of these extracts. It was observed that all <em>M. conica</em> extracts were able to inhibit the growth of CRAB. Both <em>Morchella</em> species present excellent antibacterial activity, which was comparable to tigecycline but superior to meropenem. The MIC of <em>Morchella</em> extracts required to completely inhibit CRAB ranged from 4.66 ± 1.7 mg/ml to 12 ± 2 mg/ml. The bactericidal effects for <em>M. conica</em> and <em>M. esculenta</em> were ≥ 8–16 mg/ml and ≥ 4–8 mg/ml, respectively. The activities of <em>Morchella</em> extracts against CRAB are reported for the first time. The results demonstrated <em>Morchella</em> extracts have the potential to inhibit CRAB growth.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100380"},"PeriodicalIF":1.2,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Occurrence and physico-chemical properties of aplite-derived kaolin from eastern Kinta valley, Malaysia","authors":"Ling Han Khong ,&nbsp;Onimisi Abdullateef Jimoh ,&nbsp;Hareyani Zabidi ,&nbsp;Kamar Shah Ariffin","doi":"10.1016/j.kjs.2025.100379","DOIUrl":"10.1016/j.kjs.2025.100379","url":null,"abstract":"<div><div>Kaolin from eastern Kinta Valley was studied for its geological, geochemical, mineralogical, and textural characteristics. Research was conducted on kaolinitic occurrence from three locations, and the samples were subjected to analysis by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), particle size distribution (PSD), X-ray fluorescence (XRF), and differential thermal analysis and thermogravimetry (DTA/TG). Field studies indicate that the aplite is originally embedded into a northwest trending fault and is kaolinized by a latter fault reactivation and hydrothermal activities related to the hydrothermal cassiterite mineralization. XRD and FTIR analyses reveal that the clays are well-ordered kaolinite and halloysite with minor illite present. Geochemically, the kaolin displays low content (&lt;0.4%) of Fe + Ti and 0.7% alkali. The washed kaolin shows composition approaching ideal kaolin. However, the raw clay consists of a 42–77% clay fraction, with quartz as the prime coarser constituent. The clay fractions are typically soft kaolin with coarse kaolinite stacks (d50 = 7–8 μm), except for a sample with a fine halloysite fraction. This study presents a new mode of kaolin occurrence in Malaysia, with the potential to be developed into a new kaolin mining region.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100379"},"PeriodicalIF":1.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Characterization, antioxidant, and antimicrobial activity of two sage species' organic and aqueous extracts from Morocco's Middle Atlas","authors":"Souad Maache ,&nbsp;Asmae Elghouizi ,&nbsp;Latifa Zbadi ,&nbsp;Najoua Soulo ,&nbsp;Ghizlane Nouioura ,&nbsp;Badiaa Lyoussi ,&nbsp;Ilham Elarabi","doi":"10.1016/j.kjs.2025.100382","DOIUrl":"10.1016/j.kjs.2025.100382","url":null,"abstract":"<div><div>This study quantifies phenols and flavonoids and evaluates antioxidant and antibacterial activities in extracts of <em>Salvia officinalis</em> (SO) and <em>Salvia blancoana</em> subsp. <em>mesatlantica</em> (SB) from Immouzzer in the Middle Atlas, Morocco. Bioactive components from both plants were extracted, and their 2,2-diphenyl-1-picrylhydrazyl (DPPH), total antioxidant capacity (TAC), and ferric reducing antioxidant power (FRAP) were assessed in aqueous and organic extracts. Both extracts exhibited high levels of bioactive substances, antioxidant activity, and antibacterial properties. The highest total phenolic content (TPC) for SO and SB was in the methanol extract. SO's methanol extract had the highest total flavonoid content (TFC), while SB's aqueous extract showed the highest TFC. The methanol extract also demonstrated the highest DPPH antioxidant activity for both SB and SO, and the highest TAC levels were in the methanol extract of SB and the aqueous extract of SO. In SO, the methanol extract exhibited the highest FRAP, while SB's highest was in the ethanol extract. Both extracts demonstrated notable inhibition, with SB's ethyl acetate extract having the largest zone against <em>Staphylococcus aureus</em>, and SO's ethanol extract showing strong activity against <em>Candida albicans</em>. The ethanolic extract from SO had the lowest MIC and MBC values against <em>Bacillus subtilis</em>, and the lowest MIC values for <em>Proteus mirabilis</em> in SB were associated with the ethanolic and ethyl acetate extracts., while the lowest MBC values for both pathogens were with the ethanolic and dichloromethane extracts. Leaf extracts from both <em>Salvia</em> species may serve as natural antioxidants and antimicrobials for the food and pharmaceutical industries.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100382"},"PeriodicalIF":1.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Helianthemum oelandicum subsp. incanum and Fumana thymifolia: Characterization of LC-ESI-QTOF-MS profiles and their biological activities based on plant parts and extraction solvents","authors":"Ahmet Emir ,&nbsp;Nilofar Nilofar ,&nbsp;Ceren Emir ,&nbsp;Gunes Coban ,&nbsp;Evren Yildiztugay ,&nbsp;Gokhan Zengin","doi":"10.1016/j.kjs.2025.100378","DOIUrl":"10.1016/j.kjs.2025.100378","url":null,"abstract":"<div><div>The members of the genera <em>Helianthemum</em> and <em>Fumana</em> offer great potential for ethnobotanical purposes, including gastrointestinal and reproductive problems. In the current study, we focused on the chemical profile and biological properties of <em>Helianthemum oelandicum</em> subsp. <em>incanum</em> and <em>Fumana thymifolia</em> extracts. The extracts from the aerial parts and roots of these plants, which were obtained using n-hexane, ethyl acetate, methanol, and water, were examined. Additionally, we determined the chemical composition of the extracts through liquid chromatography-electrospray ionization-quadrupole time-of-flight-mass spectrometry (LC-ESI-QTOF-MS) and assessed their antioxidant activity using different assays. Moreover, the study involved the evaluation of acetylcholinesterase (AChE), butrycholinesterase (BChE), tyrosinase, amylase, and glucosidase activities in all the extracts. In general, benzoic acid derivatives were the major phenolic acids in both plants. Regarding antioxidant properties. In terms of <em>H. oelandicum</em> subsp. <em>incanum</em>, the aerial part methanol extract displayed the highest TPC, as a result of the highest free radical scavenging activity (DPPH: 628.93 mg TE/g and ABTS: 910.56 mg TE/g). Concerning the inhibitory effects, among <em>H</em>. <em>oelandicum</em> subsp. <em>incanum</em> extracts, the ethyl acetate extract of aerial parts demonstrated the highest AChE inhibition (2.44 mg GALAE/g), with the highest value found in the n-hexane extract of the roots recorded at 2.74 mg GALAE/g. In terms of tyrosinase inhibition, the methanol extracts were more active than other extracts for both plants and their parts. Taken together, these results suggest that <em>H. oelandicum</em> subsp. <em>incanum</em> and <em>F. thymifolia</em> may be useful for potential applications in neuroprotection, skin, and diabetes.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100378"},"PeriodicalIF":1.2,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel solution behaviors for some communication equation and plasma physics equation via generalized Riccati equation mapping method","authors":"Weerachai Thadee ,&nbsp;Samila Kirisri ,&nbsp;Athassawat Kammanee ,&nbsp;Jirawan Thepjinda ,&nbsp;Sirasrete Phoosree","doi":"10.1016/j.kjs.2025.100376","DOIUrl":"10.1016/j.kjs.2025.100376","url":null,"abstract":"<div><div>The 27 analytic solutions for the nonlinear space–time fractional low-pass electrical transmission line model and the nonlinear space–time fractional Sharma-Tasso-Olver equation were obtained using the generalized Riccati equation mapping method and the Jumarie’s Riemann–Liouville fractional derivative. The kink and periodic wave behavior solutions were the many different behavior solutions that were available for these nonlinear evolution equations. We displayed the behavior graphs in three-dimensions, two-dimensions and contour. This study’s findings demonstrate that, in comparison to several other approaches, the generalized Riccati equation mapping technique provides a wider range of solutions to these equations, which shows the behavior of the solution as a wave in a variety of formats.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100376"},"PeriodicalIF":1.2,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A kinetic study of benzyl alcohol oxidation over Pt/C catalyst","authors":"Firas H. Albadran ,&nbsp;Muhammad Saeed ,&nbsp;Ibtisam Kamal","doi":"10.1016/j.kjs.2025.100373","DOIUrl":"10.1016/j.kjs.2025.100373","url":null,"abstract":"<div><div>The synthesis of carbonyl compounds by oxidation of alcohols is an important research area. A Pt/C catalyst was prepared by wet impregnation technique followed by characterization using X-ray diffraction, Fourier transform infrared spectroscopy as well as surface area and pore size analysis. It was then employed as catalyst for benzyl alcohol oxidation. The progress of oxidation reaction was monitored using GC. The oxidation data was analyzed using the nonlinear regression method using Polymath 5.1 software to analyze reaction kinetics. The rate constant and order of reaction were calculated as 9.28 × 10⁻⁶ mol L g⁻¹s⁻¹and 0.447, respectively. The rate law for oxidation of benzyl alcohol was proposed as <span><math><mrow><msub><mi>R</mi><mrow><mi>B</mi><mi>A</mi></mrow></msub><mo>=</mo><msub><mi>k</mi><mi>s</mi></msub><mspace></mspace><msubsup><mi>θ</mi><mrow><mi>B</mi><mi>A</mi></mrow><mn>0.442</mn></msubsup><msubsup><mi>θ</mi><mrow><mi>O</mi><mn>2</mn></mrow><mn>0.005</mn></msubsup><mtext>.</mtext></mrow></math></span></div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100373"},"PeriodicalIF":1.2,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical range of tensor product of operators in semi-Hilbert spaces","authors":"Najla Altwaijry ,&nbsp;Christophe Chesneau ,&nbsp;Kais Feki ,&nbsp;Zakaria Taki","doi":"10.1016/j.kjs.2025.100370","DOIUrl":"10.1016/j.kjs.2025.100370","url":null,"abstract":"<div><div>Let <span><math><mi>A</mi></math></span> and <span><math><mi>B</mi></math></span> be two positive bounded linear operators acting on the complex Hilbert spaces <span><math><mi>H</mi></math></span> and <span><math><mi>K</mi></math></span>, respectively. In this paper, we study the <span><math><mrow><mo>(</mo><mi>A</mi><mo>⊗</mo><mi>B</mi><mo>)</mo></mrow></math></span>-numerical range <span><math><mrow><msub><mrow><mi>W</mi></mrow><mrow><mi>A</mi><mo>⊗</mo><mi>B</mi></mrow></msub><mrow><mo>(</mo><mi>T</mi><mo>⊗</mo><mi>S</mi><mo>)</mo></mrow></mrow></math></span> of the tensor product <span><math><mrow><mi>T</mi><mo>⊗</mo><mi>S</mi></mrow></math></span> for two bounded linear operators <span><math><mi>T</mi></math></span> and <span><math><mi>S</mi></math></span> on <span><math><mi>H</mi></math></span> and <span><math><mi>K</mi></math></span>, respectively. In the context of this work, we demonstrate that if either <span><math><mi>T</mi></math></span> is <span><math><mi>A</mi></math></span>-hyponormal or <span><math><mi>S</mi></math></span> is <span><math><mi>B</mi></math></span>-hyponormal, then <span><span><span><math><mrow><mover><mrow><msub><mrow><mi>W</mi></mrow><mrow><mi>A</mi><mo>⊗</mo><mi>B</mi></mrow></msub><mrow><mo>(</mo><mi>T</mi><mo>⊗</mo><mi>S</mi><mo>)</mo></mrow></mrow><mo>¯</mo></mover><mo>=</mo><mi>co</mi><mfenced><mrow><mover><mrow><msub><mrow><mi>W</mi></mrow><mrow><mi>A</mi></mrow></msub><mrow><mo>(</mo><mi>T</mi><mo>)</mo></mrow></mrow><mo>¯</mo></mover><mi>⋅</mi><mover><mrow><msub><mrow><mi>W</mi></mrow><mrow><mi>B</mi></mrow></msub><mrow><mo>(</mo><mi>S</mi><mo>)</mo></mrow></mrow><mo>¯</mo></mover></mrow></mfenced><mo>,</mo></mrow></math></span></span></span>where <span><math><mrow><msub><mrow><mi>W</mi></mrow><mrow><mi>A</mi></mrow></msub><mrow><mo>(</mo><mi>T</mi><mo>)</mo></mrow></mrow></math></span> and <span><math><mrow><msub><mrow><mi>W</mi></mrow><mrow><mi>B</mi></mrow></msub><mrow><mo>(</mo><mi>S</mi><mo>)</mo></mrow></mrow></math></span> denote the <span><math><mi>A</mi></math></span>-numerical range of <span><math><mi>T</mi></math></span> and the <span><math><mi>B</mi></math></span>-numerical range of <span><math><mi>S</mi></math></span>, respectively. Here, <span><math><mrow><mi>co</mi><mrow><mo>(</mo><mi>⋅</mi><mo>)</mo></mrow></mrow></math></span> and the over-line denote the convex hull and the closure, respectively. Moreover, we provide some <span><math><mrow><mo>(</mo><mi>A</mi><mo>⊗</mo><mi>B</mi><mo>)</mo></mrow></math></span>-numerical radius inequalities.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100370"},"PeriodicalIF":1.2,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143165747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Historical rainfall reconstruction in the period of 1900–2010 for extreme climate event analysis (case study in Java Island, Indonesia)","authors":"Trinah Wati ,&nbsp;Tri Wahyu Hadi ,&nbsp;Ardhasena Sopaheluwakan ,&nbsp;Faiz Rohman Fajary ,&nbsp;Lambok M. Hutasoit","doi":"10.1016/j.kjs.2025.100377","DOIUrl":"10.1016/j.kjs.2025.100377","url":null,"abstract":"<div><div>Extreme weather events and climate anomalies are increasing in both frequency and intensity due to climate change, posing greater risks to both human and natural systems. Analyzing hazards like hydrometeorological events is therefore crucial for managing these risks, particularly by utilizing long-term precipitation data spanning up to 100 years. This study aims to develop a method for reconstructing historical rainfall data for the 1900–2010 period in Indonesia, using the European Centre for Medium-Range Weather Forecasts (ECMWF) ERA-20C dataset. The primary methodology involves the retrospective use of the constructed analogues statistical downscaling (CA-SD) method. This approach employs ERA-20C's zonal (U) and meridional (V) wind parameters at 850 hPa, which are converted into scalar field variables as predictors for rainfall reconstruction. The results show that the reconstructed climatological mean is overestimated compared to Multi-Source Weighted-Ensemble Precipitation (MSWEP) data but underestimated compared to station observations. A more comprehensive evaluation, using several deterministic and probabilistic metrics at various rainfall thresholds, was conducted. The ensemble mean correlations improved with temporal aggregation. According to probabilistic metrics, the reliability of estimated 5 mm and 20 mm rainfall events was better than that of rain days (&gt;0.5 mm), while the reliability for 50 mm and 100 mm events was lower. This study produced reconstructed rainfall data for the 1900–2010 period, which could be valuable for climatological and hydrological research. Specifically, the severe drought in Java between 1960 and 1970 can be examined in greater detail; this is important due to its potential reoccurrence in the future.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100377"},"PeriodicalIF":1.2,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydrazones derivatives from halo-pyridinol: Synthesis and DFT-based theoretical exploration","authors":"Mohammed A. Assiri ,&nbsp;Muhammad Suleman ,&nbsp;Muhammad Ibrahim ,&nbsp;Tanveer Hussain Bokhari ,&nbsp;Ajaz Hussain ,&nbsp;Aijaz Rasool Chaudhry ,&nbsp;Iqra Mehwish ,&nbsp;Rabia Nawaz ,&nbsp;Perveen Kanwal ,&nbsp;Faiz Rasool","doi":"10.1016/j.kjs.2025.100375","DOIUrl":"10.1016/j.kjs.2025.100375","url":null,"abstract":"<div><div>Three novel halo-pyridinol-based hydrazone derivatives were synthesized successfully for their virtual optoelectronic properties. These are (<em>E</em>)-2-((2-chloropyridin-3-yl)oxy)-N'-(4-fluorobenzylidene)acetohydrazide (<strong>CPFH</strong>), (<em>E</em>)-N'-(4-chlorobenzylidene)-2-((2-chloropyridin-3-yl)oxy)acetohydrazide (<strong>CCPH</strong>), and (<em>E</em>)-2-((2-chloropyridin-3-yl)oxy)-N'-(4-methylbenzylidene)acetohydrazide (<strong>CPMH</strong>). All these compounds have been extensively characterized using nuclear magnetic resonance and infrared spectroscopic techniques. Additionally, their optoelectronic behavior was investigated using quantum chemical calculations with the ꞷB97XD/6–31+g(d,p) approach. Various properties of the synthesized compounds were explored using density functional theory (DFT) calculations, including NBO (natural bond orbital), NLO (non-linear optical properties), NPA (natural population analysis), and FMO (frontier molecular orbital) analyses. Furthermore, photophysical properties of these compounds were studied using a time-dependent DFT (TD-DFT) approach at the ꞷB97xd/6–31+g(d,p) level. The DFT investigations showed that compound <strong>CPMH</strong> possesses higher stabilization energy than <strong>CCPH</strong> and <strong>CPFH</strong>.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"52 2","pages":"Article 100375"},"PeriodicalIF":1.2,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143166744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}