Results in Chemistry最新文献

筛选
英文 中文
Synthesis, characterization, and evaluation of diosgenin nicotinate as a potential antioxidant and antileishmanial agent 烟酸薯蓣皂苷元作为潜在抗氧化剂和抗利什曼病剂的合成、表征和评价
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-04 DOI: 10.1016/j.rechem.2026.103119
Khawla Alamere, Ghassan abo chameh, Chadi Soukkarieh
{"title":"Synthesis, characterization, and evaluation of diosgenin nicotinate as a potential antioxidant and antileishmanial agent","authors":"Khawla Alamere,&nbsp;Ghassan abo chameh,&nbsp;Chadi Soukkarieh","doi":"10.1016/j.rechem.2026.103119","DOIUrl":"10.1016/j.rechem.2026.103119","url":null,"abstract":"<div><div>The toxicity and the side effects of most drugs that are clinically used for leishmaniasis led scientists all over the world to search for a new source of antileishmanial drugs. Chemical modification of naturally occurring plant compounds was one of the most important choices as an alternative to traditionally pentavalent antimony-based drugs. This study aimed to modify the structural properties of steroidal diosgenin (DG) through esterification with nicotinic acid (NA) using the Steglich method. The identification and purity of diosgenin nicotinate (DGNA) were confirmed by thin-layer chromatography (TLC), Fourier-transform infrared spectroscopy (FT-IR), and <sup>1</sup>H nuclear magnetic resonance spectroscopy (<sup>1</sup>H NMR). The effect of dimethylaminopyridine (DMAP) initial concentration on the yield of DGNA was performed. The higher yield (91%) was achieved for the use of (0.5 mM) of DMAP as reaction catalyst. The antioxidant capacity and <em>in vitro</em> antileishmanial activity of DGNA were evaluated using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical assay and the MTT assay, respectively. The results showed that modified diosgenin (DGNA) showed a higher antioxidant activity (IC<sub>50</sub> = 71.75 mM) than DG (IC<sub>50</sub> = 125.8 mM), and exhibited greater biological effect against <em>L. tropica</em> leishmaniasis (IC<sub>50</sub> = 0.532 mM) compared to DG (IC<sub>50</sub> = 1.24 mM). These results indicate potential antileishmanial and antioxidant activity of DGNA and encourage further <em>in vivo</em> research.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103119"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186519","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
Regulation of Shigella effector kinase OspG by Musa acuminata fruit extracts: An in vitro, in vivo, and in silico study Musa acuminata果实提取物对志贺氏菌效应激酶OspG的调控作用:体外、体内和计算机研究
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-10 DOI: 10.1016/j.rechem.2026.103127
Rakhi Rani , Md. Eram Hosen , Md. Nahid Hasan Joy , Niamul Haq , Md. Abu Saleh , Suvro Biswas , Amit Kumar Dutta , Zannatun Noor , Biswanath Sikdar , Md. Khalekuzzaman , Md. Faruk Hasan
{"title":"Regulation of Shigella effector kinase OspG by Musa acuminata fruit extracts: An in vitro, in vivo, and in silico study","authors":"Rakhi Rani ,&nbsp;Md. Eram Hosen ,&nbsp;Md. Nahid Hasan Joy ,&nbsp;Niamul Haq ,&nbsp;Md. Abu Saleh ,&nbsp;Suvro Biswas ,&nbsp;Amit Kumar Dutta ,&nbsp;Zannatun Noor ,&nbsp;Biswanath Sikdar ,&nbsp;Md. Khalekuzzaman ,&nbsp;Md. Faruk Hasan","doi":"10.1016/j.rechem.2026.103127","DOIUrl":"10.1016/j.rechem.2026.103127","url":null,"abstract":"<div><h3>Background</h3><div>The rising prevalence of antibiotic-resistant <em>Shigella flexneri</em> underscores the need for novel therapeutic strategies for the management of diarrheal disease. This study investigated the antidiarrheal potential of methanol extract (ME) and hot water extract (HWE) of <em>Musa acuminata</em> fruit using in vitro, in vivo, and in silico approaches.</div></div><div><h3>Methods</h3><div>Phytochemical screening was performed using standard phytochemical screening methods. In vitro antibacterial activity against multidrug-resistant (MDR) <em>S. flexneri</em> was assessed by the disc diffusion method. In vivo <em>S. flexneri</em>-induced diarrhea was established in mice model. In silico analyses included molecular docking of phytochemical compounds with the <em>S. flexneri</em> effector protein kinase OspG using AutoDock Vina, followed by molecular dynamics (MD), simulations, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling.</div></div><div><h3>Results</h3><div>Significant phytocompounds were detected from ME and HWE. Both extracts demonstrated strong antibacterial potency with 24.83 ± 0.44 mm zone of inhibition, comparable to ciprofloxacin. In animal experiments, both extracts showed improved body weight, reduced diarrhea severity, and restored electrolyte balance, with HWE exhibiting greater efficacy. Molecular docking revealed that phytosterols remained stable throughout simulations. ADMET analysis indicated favorable safety profiles.</div></div><div><h3>Conclusion</h3><div><em>Musa acuminata</em> fruit extracts significantly mitigated <em>S. flexneri</em>-induced diarrhea through potent antibacterial activity and electrolyte restoration, supported by computational evidence of OspG inhibition. These findings position <em>M. acuminata</em> as a promising natural candidate for the development of antidiarrheal therapeutics.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103127"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186514","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
Astaxanthin–Zn2+ complexes and glycated human serum albumin: A molecular mechanism study for protein integrity in diabetes mellitus 虾青素-锌+配合物和糖化人血清白蛋白:糖尿病中蛋白质完整性的分子机制研究
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-07 DOI: 10.1016/j.rechem.2026.103124
Alfia Fitrianita , Naufal Abiyyu , Berry Juliandi , Akhmad Sabarudin , Tri Rini Nuringtyas , Hendra Gunosewoyo , Syahputra Wibowo , Rony Abdi Syahputra
{"title":"Astaxanthin–Zn2+ complexes and glycated human serum albumin: A molecular mechanism study for protein integrity in diabetes mellitus","authors":"Alfia Fitrianita ,&nbsp;Naufal Abiyyu ,&nbsp;Berry Juliandi ,&nbsp;Akhmad Sabarudin ,&nbsp;Tri Rini Nuringtyas ,&nbsp;Hendra Gunosewoyo ,&nbsp;Syahputra Wibowo ,&nbsp;Rony Abdi Syahputra","doi":"10.1016/j.rechem.2026.103124","DOIUrl":"10.1016/j.rechem.2026.103124","url":null,"abstract":"<div><div>Glycation of Human Serum Albumin (HSA) presents a significant challenge, disrupting its structural integrity and functional capacity, and contributing to complications in chronic metabolic diseases like diabetes mellitus. The glycated form (gHSA) is particularly concerning due to its increased flexibility and reduced stability. In this study, we explore the potential of astaxanthin-Zn<sup>2+</sup> complexes as molecular stabilizers that can help restore the structure of gHSA. Using a comprehensive in silico approach, we applied various techniques, including molecular docking, coarse-grained molecular dynamics simulations, and analyses of energy landscapes and residue interactions. Our findings show that the astaxanthin-Zn<sup>2+</sup> complex at a 3:1 M ratio significantly stabilizes gHSA, leading to improved energy landscapes and more cohesive interactions. This research not only highlights the powerful synergy between astaxanthin and Zn<sup>2+</sup> but also opens exciting possibilities for developing new therapeutic strategies to tackle the challenges posed by glycation in diabetes.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103124"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186177","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
Optimization of extraction and biochemical characterization of soluble and ionically wall-bound peroxidases from Argania spinosa leaves 叶面可溶性和离子壁结合过氧化物酶的提取优化及生化特性研究
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-08 DOI: 10.1016/j.rechem.2026.103111
Samira Bnikkou , Khalid Majourhat , Abdellatif Laknifli , Pedro Martínez-Gómez , José Antonio Hernàndez
{"title":"Optimization of extraction and biochemical characterization of soluble and ionically wall-bound peroxidases from Argania spinosa leaves","authors":"Samira Bnikkou ,&nbsp;Khalid Majourhat ,&nbsp;Abdellatif Laknifli ,&nbsp;Pedro Martínez-Gómez ,&nbsp;José Antonio Hernàndez","doi":"10.1016/j.rechem.2026.103111","DOIUrl":"10.1016/j.rechem.2026.103111","url":null,"abstract":"<div><div>Peroxidases (POX) play key roles in plant stress responses and metabolism. However, their extraction and functional properties in Argania spinosa leaves remain underexplored. In this study, soluble and ionically wall-bound peroxidases were extracted and assayed using guaiacol and H2O2 as substrates. Active peroxidases were recovered only in the presence of phenol-complexing agents (PVP and PVPP), highlighting the strong inhibitory effect of endogenous polyphenols. The soluble fraction exhibited optimal activity at pH 5.6 and temperatures up to 55 °C. In contrast, the ionically wall-bound fraction was active over a broader pH range (3.4–9.0), with maximal activity at pH 5.0 and 55 °C, and remained stable at elevated temperatures up to 90 °C. Metal ions (Ca2+, Mg2+, and Fe2+) enhanced peroxidase activity, with Fe2+ and Cu2+ abolishing the lag time in guaiacol oxidation. These results underline the remarkable stability of wall-bound peroxidases from A. spinosa leaves and support their potential relevance for industrial and biotechnological applications, as well as for plant stress tolerance mechanisms.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103111"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186178","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
Investigation and comparison of the antioxidant properties of crocin and gallic acid-loaded Nanoniosomes 藏红花素与没食子酸负载纳米小体抗氧化性能的研究与比较
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-01-19 DOI: 10.1016/j.rechem.2026.103059
Zeinab Habibi , Esmaeil Mohseni , Maryam Ranjbar Zahedani , Samaneh Zolghadri
{"title":"Investigation and comparison of the antioxidant properties of crocin and gallic acid-loaded Nanoniosomes","authors":"Zeinab Habibi ,&nbsp;Esmaeil Mohseni ,&nbsp;Maryam Ranjbar Zahedani ,&nbsp;Samaneh Zolghadri","doi":"10.1016/j.rechem.2026.103059","DOIUrl":"10.1016/j.rechem.2026.103059","url":null,"abstract":"<div><div>In this study, the antioxidant properties of Crocin nanoniosomes (CRN) and Gallic acid nanoniosomes (GAN) were compared as two active plant-derived compounds with potential pharmaceutical applications. Nanoniosomes were synthesised using the thin-film hydration method, and their physicochemical properties, including particle size, zeta potential, and encapsulation efficiency, were characterised. The antioxidant activities of free Crocin (CR), Gallic acid (GA), and their corresponding nanoniosomes (CRN and GAN) were assessed using DPPH and ABTS radical scavenging assays, with Ascorbic acid used as a reference. Results showed that antioxidant activity was both time- and concentration-dependent, with higher concentrations significantly increasing free radical inhibition. Specifically, CRN exhibited a stronger antioxidant effect (IC50 = 10.4 μg/mL) than free CR (IC50 = 46 μg/mL) after 60 min, as measured by the DPPH method. Similarly, GAN showed greater activity (IC50 = 78 μg/mL) than free GA (IC50 = 125 μg/mL). In the ABTS method, the antioxidant activity of CRN (IC50 = 20.1 μg/mL) was higher than that of CR with (IC50 = 158 μg/mL) at 60 min. The antioxidant activity of GAN (IC50 = 34.1 μg/mL) was almost equal to that of GA. CRN showed higher antioxidant activity than the other compounds in this method. In both assays, nanoniosomes enhanced the antioxidant efficacy of the original compounds. These findings suggest that nanoniosome encapsulation not only preserves but also improves the antioxidant properties of natural compounds, making them promising candidates for pharmaceutical formulations.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103059"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186524","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
Integrated acid-alkali recovery of high-purity silica from alumina-extraction residues derived from Mongolian coal ash as a secondary silicon resource 从蒙古煤灰提铝渣中酸-碱联合回收高纯二氧化硅作为二次硅资源
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-10 DOI: 10.1016/j.rechem.2026.103116
Qian Yu, Enkhujin Munkhtur, Tungalagtamir Bold, Munkhbaatar Punsantsogvoo, Byambagar Batdelger
{"title":"Integrated acid-alkali recovery of high-purity silica from alumina-extraction residues derived from Mongolian coal ash as a secondary silicon resource","authors":"Qian Yu,&nbsp;Enkhujin Munkhtur,&nbsp;Tungalagtamir Bold,&nbsp;Munkhbaatar Punsantsogvoo,&nbsp;Byambagar Batdelger","doi":"10.1016/j.rechem.2026.103116","DOIUrl":"10.1016/j.rechem.2026.103116","url":null,"abstract":"<div><div>Coal-derived alumina-extraction residues represent a largely underutilized secondary silicon resource. In this study, silica (SiO<sub>2</sub>) was recovered from alumina-extraction residues generated during alumina extraction from coal ash collected from the Erdenet, Darkhan and Ulaanbaatar Fourth thermal power plants in Mongolia via an integrated alumina extraction–alkali extractionacid precipitation route. The raw coal ashes and the final silica products were subjected to physicochemical characterization (XRD, XRF, SEM and BET), whereas the alumina-extraction residues were not independently characterized, but served solely as the chemically activated intermediate for silica recovery.</div><div>The original ashes were classified as Class F according to ASTM C618–08a and radiological assessment confirmed compliance with the Mongolian standard MNS 5072:2001, supporting their safe utilization. Under optimized conditions (ash-to-acid ratio of 1:6, 20 wt% HCl, 200–250 rpm and 75–95 °C), high-purity silica was consistently obtained from the alumina-extraction residues, with SiO<sub>2</sub> contents ≥99.9 wt% and reaching up to 99.999 wt% in selected samples, while total residual impurities were controlled below 0.1 wt%.The recovered silica exhibited specific surface areas of 32.8–352.1 m² g⁻¹ with well-developed mesoporosity, and SEM revealed porous aggregated morphologies. A preliminary mass-balance analysis indicates that 2.46–4.44 t of coal ash can yield 1 t of high-purity silica via the alumina-extraction residue pathway.</div><div>This study demonstrates alumina-extraction residues, rather than raw coal ash, serve as an effective intermediate feedstock for silica recovery, enabling a coupled alumina–silica utilization route. The integrated acid–alkali process provides a chemically selective and potentially scalable approach for converting coal-derived residues into high-purity, mesoporous silica, thereby supporting the concept of coal ash as a secondary silicon resource within a circular-economy framework.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103116"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186181","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
Rapid RP-HPLC method optimization for vitamin D3 quantification in soft-gelatin capsules via Response Surface Methodology (RSM) 响应面法优化软明胶胶囊中维生素D3定量的快速反相高效液相色谱方法
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-04 DOI: 10.1016/j.rechem.2026.103118
Yaneth Cardona, Femke Klemans, Ad Bernaerts, Gani Padolina
{"title":"Rapid RP-HPLC method optimization for vitamin D3 quantification in soft-gelatin capsules via Response Surface Methodology (RSM)","authors":"Yaneth Cardona,&nbsp;Femke Klemans,&nbsp;Ad Bernaerts,&nbsp;Gani Padolina","doi":"10.1016/j.rechem.2026.103118","DOIUrl":"10.1016/j.rechem.2026.103118","url":null,"abstract":"<div><div>Reliable quantification of fat-soluble vitamins such as vitamin D₃ (VD₃) in soft-gelatin dosage forms is challenging because of co-formulated antioxidants and variable excipients. A rapid and robust RP-HPLC method was optimized and validated for VD<sub>3</sub> quantification in soft-gelatin capsules containing Vitamin E as an antioxidant using Response-Surface Methodology (RSM). A Box–Behnken design (BBD) within a Design of Experiments (DoE) framework was used to optimize column temperature, flow rate, and mobile phase composition. The final 5 min method employed an Acclaim RSLC 120 C18 column with ACN:MeOH:Milli-Q water (87.5:9:3.5) as the mobile phase, a flow rate 0.8 mL min <sup>−1</sup>, and column temperature of 20.8 °C. Sample clean-up evaluation identified the SOLA HRP SPE cartridge as providing the highest recovery (98.83 ± 0.65%). Validation demonstrated specificity, linearity (0.02–6.00 mg L<sup>−1</sup>, R<sup>2</sup> = 0.999), accuracy (recoveries 98.2–99.5%), precision (%RSD 0.66%), and sensitivity (LOD 2.5 μg L<sup>−1</sup>, LOQ 6.7 μg L<sup>−1</sup>). This study highlights the utility of RSM-BBD for efficient HPLC method optimization, providing a generalizable strategy for other fat-soluble vitamins and complex formulations.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103118"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186202","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
Exploring silica nanocarriers SBA-15, SBA-16, COK-12, KIT-6 to enhance Dacomitinib solubility using Quality by Design approach 利用质量设计法探索二氧化硅纳米载体SBA-15、SBA-16、COK-12、KIT-6对达科米替尼溶解度的影响
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-01-29 DOI: 10.1016/j.rechem.2026.103086
Sushma Desai , Pooja Mittal
{"title":"Exploring silica nanocarriers SBA-15, SBA-16, COK-12, KIT-6 to enhance Dacomitinib solubility using Quality by Design approach","authors":"Sushma Desai ,&nbsp;Pooja Mittal","doi":"10.1016/j.rechem.2026.103086","DOIUrl":"10.1016/j.rechem.2026.103086","url":null,"abstract":"<div><div>Dacomitinib is a promising targeted first line drug for lung chemotherapy with high survival rate over other drugs, found with solubility issues limiting its therapeutic efficacy. Silica nanocarriers sought to resolve it. Solubility enhancement performed by applying Quality by Design Principle. Drug and nanocarriers (SBA-15, SBA-16, KIT-6 &amp; COK-12) nanocomplex prepared by dry loading and its formulations characterized using spectroscopy, N<sub>2</sub> adsorption, thermogravimetric, microscopic and Invitro studies. The nanomaterial characterizations revealed good compatibility by FTIR studies. XRD showed change in drug crystalline peaks by nanocarrier and its nanocomplexes resulted in solubility improvement by Χ63 folds. Nanocarrier morphology changed due to co-grinding effect, evident with SEM, DTA and TGA studies revealed nanocarrier thermostability effect on drug with 37% drug mass retained at 500 °C temperature compared to pure drug with ˂10%. N<sub>2</sub> adsorption isotherms revealed the drug loading in porous nanocarriers observed by decrease in porosity. Invitro-dissolution studies conducted in 6.8 pH phosphate buffer showed 45% drug release at the end of 72 h coinciding Quality by Design. Dacomitinib solubility can be enhanced with Silica nanocarriers amongst them, SBA-15 proved to be best fulfilling the current objective of study.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103086"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186489","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
High methane storage capacity of porous carbon nitride fullerenes decorated with transition metals: A DFT investigation 过渡金属修饰多孔氮化碳富勒烯的高甲烷储存能力:DFT研究
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-05 DOI: 10.1016/j.rechem.2026.103110
Mehdi D. Esrafili
{"title":"High methane storage capacity of porous carbon nitride fullerenes decorated with transition metals: A DFT investigation","authors":"Mehdi D. Esrafili","doi":"10.1016/j.rechem.2026.103110","DOIUrl":"10.1016/j.rechem.2026.103110","url":null,"abstract":"<div><div>This investigation employs DFT calculations to examine the potential of transition metal-decorated porous carbon nitride fullerenes CH<sub>4</sub> storage. Ab initio molecular dynamics simulations confirm the structural stability of the decorated fullerenes. Each decorated metal atom can adsorb four CH<sub>4</sub> molecules, resulting in a high gravimetric density of approximately 40% wt. The nature of interactions between CH<sub>4</sub> and the decorated metal atoms is explored using the quantum theory of atoms in molecules, partial density of states, and electron density difference analyses. The effects of ambient temperature and pressure, as well as fullerene dimerization, on CH<sub>4</sub> storage are also discussed.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103110"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186492","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
Bioanalytical determination of azole antifungals for mycetoma treatment in biological fluids: Advances, challenges, and implementation strategies 生物液中治疗足菌肿的唑类抗真菌药物的生物分析测定:进展、挑战和实施策略
IF 4.2
Results in Chemistry Pub Date : 2026-04-01 Epub Date: 2026-02-08 DOI: 10.1016/j.rechem.2026.103120
Imad Abu Reid , Mohamed Hussain , Sayda Osman , Somia Bakheet
{"title":"Bioanalytical determination of azole antifungals for mycetoma treatment in biological fluids: Advances, challenges, and implementation strategies","authors":"Imad Abu Reid ,&nbsp;Mohamed Hussain ,&nbsp;Sayda Osman ,&nbsp;Somia Bakheet","doi":"10.1016/j.rechem.2026.103120","DOIUrl":"10.1016/j.rechem.2026.103120","url":null,"abstract":"<div><div>Mycetoma is a chronic and debilitating neglected tropical disease caused by fungi or filamentous bacteria, with <em>Madurella mycetomatis</em> representing the most common fungal agent worldwide. Current treatment relies primarily on azole antifungals such as itraconazole and posaconazole, yet their clinical effectiveness is frequently compromised by variable pharmacokinetics, limited tissue penetration, and the requirement for prolonged therapy. These challenges underscore the importance of therapeutic drug monitoring (TDM) to ensure adequate systemic exposure and to guide individualized therapy. This review provides a critical synthesis of bioanalytical methods used for azole quantification in biological matrices, highlighting liquid chromatography–tandem mass spectrometry (LC–MS/MS) as the current gold standard. We summarize sample preparation strategies ranging from traditional solid-phase and liquid–liquid extraction to more pragmatic protein precipitation approaches, and we discuss their relative advantages and limitations in the context of mycetoma. Key analytical issues such as matrix effects, analyte stability, and regulatory validation requirements are addressed, with particular emphasis on the constraints faced in resource-limited endemic regions. Recent innovations in microsampling, including dried blood spots (DBS) and volumetric absorptive microsampling (VAMS), are also reviewed. These techniques offer significant benefits for decentralized TDM by minimizing sample volume, reducing reliance on cold-chain logistics, and simplifying transport and storage. However, issues such as hematocrit effects, assay standardization, and stability must be carefully validated before clinical implementation. Taken together, the integration of robust LC–MS/MS platforms with innovative field-adapted microsampling approaches represents a promising strategy to optimize antifungal therapy and improve long-term outcomes for patients with mycetoma in endemic settings.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103120"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186170","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书