Results in Chemistry最新文献

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Insight into rifampicin resistance behind discordant mutations in RpoB of Mycobacterium tuberculosis: A molecular dynamics simulations study 结核分枝杆菌RpoB不一致突变背后的利福平耐药性:一项分子动力学模拟研究
IF 2.5
Results in Chemistry Pub Date : 2025-05-27 DOI: 10.1016/j.rechem.2025.102380
Muhammad Tahir Khan , Elise Dumont , Jialou Zhu , Kashif Iqbal Sahibzada , Madeeha Shahzad Lodhi , Mehmood Qadir , Dongqing Wei
{"title":"Insight into rifampicin resistance behind discordant mutations in RpoB of Mycobacterium tuberculosis: A molecular dynamics simulations study","authors":"Muhammad Tahir Khan ,&nbsp;Elise Dumont ,&nbsp;Jialou Zhu ,&nbsp;Kashif Iqbal Sahibzada ,&nbsp;Madeeha Shahzad Lodhi ,&nbsp;Mehmood Qadir ,&nbsp;Dongqing Wei","doi":"10.1016/j.rechem.2025.102380","DOIUrl":"10.1016/j.rechem.2025.102380","url":null,"abstract":"<div><div>The discordance between phenotypic and molecular methods of rifampicin (RIF) drug susceptibility testing may lead to misdiagnosis and mistreatment. In this study, we aimed to find the effects of discordant mutations on RNA polymerase (RNAP) β-subunit (RpoB) thermodynamic properties leading RIF resistance. We selected one wild type (WT) and twelve discordant RpoB mutants (MTs), including seven singles (L430P, L430R, D435G, T444A, H445N, H445L, and H445C), four double MTs (H445W/L452P, L430P/C701W, S428R/H445Y, and S428T/D435G) and one triple MT (H445N/S491A/F424V). The WT and MTs were subjected to 500 ns all-atom molecular dynamic (MD) simulations. The results revealed considerable variations in discordant MTs and WT dynamic, including root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (Rg), dynamic cross-correlation matrix (DCCM), principal component analysis (PCA), and free energy using the molecular mechanics Poisson–Boltzmann surface area continuum solvation (MMPBSA) approach. The MMPBSA binding free energies revealed that discordant mutations generally decreased the binding affinity with RIF. Based on DCCM and PCA, highest negatively-correlated motion was found for L430 &gt; P/C701 &gt; W followed by S428T/D435G, H445W/L452, and S428/H445Y. The role of the loop 431–447 of RpoB flexibility was found to be correlated to RIF binding. MTs retain interactions with key residues (R154, R181A, V153A, P256A, G257A, E258A, R255A, D344A, R440A, I343A, L436A) seen in the WT, indicating these are crucial for structural stability. Each mutant exhibited some unique interactions that were not present in the WT, potentially altering the protein's structure and function. In the presence of RIF, the WT exhibits 42 DNA-residue interactions, one weak DNA-residue interaction, a total binding surface area of 1658 Å<sup>2</sup>, 27 hydrogen bonds, and 140 van der Waals interactions, with a hydrophobicity score of −1.348 which was significantly lower than the MTs. The study confirmed that the structural and dynamic changes induced by discordant mutations may significantly impact RIF binding and resistance.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102380"},"PeriodicalIF":2.5,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178347","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
Structural insights into PKS13 Thioesterase inhibitors targeting Mycobacterium tuberculosis for drug-resistant tuberculosis therapy: Identification, stability assessment, and pharmacophore modeling 针对结核分枝杆菌耐药结核病治疗的PKS13硫酯酶抑制剂的结构见解:鉴定、稳定性评估和药效团建模
IF 2.5
Results in Chemistry Pub Date : 2025-05-27 DOI: 10.1016/j.rechem.2025.102388
Zia Ur Rehman , Hassan A. Alhazmi , Mohammed Albratty , Abdullah Algaissi , Hafiz A. Makeen , Asim Najmi , Khalid Zoghebi , Sivakumar S. Moni , Siddig Ibrahim Abdelwahab , Manal Mohamed Elhassan Taha , Asaad Khalid , Magbool Essa Oraiby , Ibrahim Ahmed Bokar
{"title":"Structural insights into PKS13 Thioesterase inhibitors targeting Mycobacterium tuberculosis for drug-resistant tuberculosis therapy: Identification, stability assessment, and pharmacophore modeling","authors":"Zia Ur Rehman ,&nbsp;Hassan A. Alhazmi ,&nbsp;Mohammed Albratty ,&nbsp;Abdullah Algaissi ,&nbsp;Hafiz A. Makeen ,&nbsp;Asim Najmi ,&nbsp;Khalid Zoghebi ,&nbsp;Sivakumar S. Moni ,&nbsp;Siddig Ibrahim Abdelwahab ,&nbsp;Manal Mohamed Elhassan Taha ,&nbsp;Asaad Khalid ,&nbsp;Magbool Essa Oraiby ,&nbsp;Ibrahim Ahmed Bokar","doi":"10.1016/j.rechem.2025.102388","DOIUrl":"10.1016/j.rechem.2025.102388","url":null,"abstract":"<div><div><em>Mycobacterium tuberculosis</em> is the causative agent of tuberculosis, which remains a challenge in health worldwide due to the increase in strains resistant to most of the drugs used in its treatment. The study targeted a novel therapeutic target: the thioesterase domain of Polyketide Synthase 13, a key enzyme in mycolic acid biosynthesis. Using an 85 % structural similarity cutoff, 456 compounds were identified through a PubChem similarity search against the reference ligand JS9 (PubChem CID: 171362238). Three compounds (PubChem CIDs 92,074,896, 123,910,328, and 148,817,792) were shortlisted for detailed analysis following the virtual screening. Computational analyses using re-docking, MD simulation, MMGBSA binding energy calculation, and FEL analysis were done to assess the compounds' potential and binding stability. Among the compounds, 92,074,896 had the highest stability with the most favorable binding free energy of −93.41 ± 9.96 kcal/mol, presenting consistent hydrogen bonding and minimal conformational fluctuation. Compound 123,910,328 showed moderate flexibility with strong binding affinity, while 148,817,792 was adaptable though highly flexible. RMSF, radius of gyration, and FEL analyses further established stability and adaptability within the binding pocket. Pharmacophore modeling revealed a key AARR feature (two aromatic rings and two hydrogen bond acceptors) critical for effective ligand binding, highlighting the structural requirements for interaction with the Pks13 TE domain. These compounds represent promising lead compounds for further experimental validation and underscores the importance of pharmacophore modeling in guiding anti-TB drug discovery.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102388"},"PeriodicalIF":2.5,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178341","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
Pyrazolo[1,5-a]pyrimidin-7-ones as promising antimicrobial scaffolds: In vitro and in vivo evaluation. 吡唑啉[1,5-a]嘧啶-7- 1作为有前途的抗菌支架:体外和体内评价。
IF 2.5
Results in Chemistry Pub Date : 2025-05-27 DOI: 10.1016/j.rechem.2025.102403
Amanda A. Doyle , Mark Kelada , Clara Charleton , Robert Devine , John M.D. Walsh , Ronan Bergin , Kevin Kavanagh , John C. Stephens
{"title":"Pyrazolo[1,5-a]pyrimidin-7-ones as promising antimicrobial scaffolds: In vitro and in vivo evaluation.","authors":"Amanda A. Doyle ,&nbsp;Mark Kelada ,&nbsp;Clara Charleton ,&nbsp;Robert Devine ,&nbsp;John M.D. Walsh ,&nbsp;Ronan Bergin ,&nbsp;Kevin Kavanagh ,&nbsp;John C. Stephens","doi":"10.1016/j.rechem.2025.102403","DOIUrl":"10.1016/j.rechem.2025.102403","url":null,"abstract":"<div><div>This study presents a family of pyrazolo[1,5-<em>a</em>]pyrimidin-7-ones as potential antimicrobial agents. Initial screening against <em>Staphylococcus aureus</em>, <em>Escherichia coli</em>, and <em>Candida albicans</em> identified compound <strong>3</strong> as active against <em>S. aureus</em> (MIC₅₀ 1.8 μM). A structure activity relationship study of 35 analogues yielded the more potent analogues (MIC₅₀ 1.2 μM, MIC₈₀ 6.4 μM). Hit compounds were further evaluated against Methicillin-Resistant <em>S. aureus</em> (MRSA) and <em>Pseudomonas aeruginosa</em>, with pyrimidinone <strong>12</strong> showing the strongest activity against MRSA (MIC₅₀ 1.88 μM, MIC₈₀ 2.93 μM). In vivo toxicity assessment using <em>Galleria mellonella</em> larvae indicated that the leading active compounds were non-toxic. Importantly, in an in vivo <em>G. Melonella</em> MRSA infection model, compound <strong>12</strong> improved survival by 25 % compared to untreated controls (95 % vs. 75 %, <em>p</em> &lt; 0.05). These strong in vivo results highlight pyrazolo[1,5-<em>a</em>]pyrimidin-7-ones as promising scaffolds for the development of new antibacterial agents.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102403"},"PeriodicalIF":2.5,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222698","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
Review on water repellent agents for textiles: Advances in green synthesis and sustainable solutions 纺织品防水剂的研究进展:绿色合成与可持续解决方案
IF 2.5
Results in Chemistry Pub Date : 2025-05-27 DOI: 10.1016/j.rechem.2025.102402
Xianmin Wang, Yuhang Lu, Chunling Zheng, Zhengyu Zhang
{"title":"Review on water repellent agents for textiles: Advances in green synthesis and sustainable solutions","authors":"Xianmin Wang,&nbsp;Yuhang Lu,&nbsp;Chunling Zheng,&nbsp;Zhengyu Zhang","doi":"10.1016/j.rechem.2025.102402","DOIUrl":"10.1016/j.rechem.2025.102402","url":null,"abstract":"<div><div>Water repellent agents are essential for enhancing the performance of textiles, particularly in applications such as outdoor clothing, sportswear, and industrial fabrics. Traditional methods for preparing water-repellent coatings often involve hazardous chemicals and energy-intensive processes, raising concerns about environmental sustainability. In recent years, significant progress has been made in the development of eco-friendly water-repellent agents, with a focus on using renewable raw materials, non-toxic solvents, and energy-efficient processes. This review explores the latest advancements in water repellent coatings for textiles, with particular emphasis on green chemistry approaches. The paper provides an overview of the various strategies for synthesizing water-repellent agents, discusses their advantages and challenges, and presents a comprehensive comparison of conventional and environmentally sustainable alternatives.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102402"},"PeriodicalIF":2.5,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147809","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
Synthesis of a novel zirconium-based adsorbent (ZBA) and the elucidation of adsorption capability of arsenic using ZBA, zirconium oxide, and zirconium hydroxide 新型锆基吸附剂(ZBA)的合成及ZBA、氧化锆和氢氧化锆对砷的吸附性能的研究
IF 2.5
Results in Chemistry Pub Date : 2025-05-27 DOI: 10.1016/j.rechem.2025.102401
Fumihiko Ogata , Noriaki Nagai , Yugo Uematsu , Hitoka Ito , Chalermpong Saenjum , Naohito Kawasaki
{"title":"Synthesis of a novel zirconium-based adsorbent (ZBA) and the elucidation of adsorption capability of arsenic using ZBA, zirconium oxide, and zirconium hydroxide","authors":"Fumihiko Ogata ,&nbsp;Noriaki Nagai ,&nbsp;Yugo Uematsu ,&nbsp;Hitoka Ito ,&nbsp;Chalermpong Saenjum ,&nbsp;Naohito Kawasaki","doi":"10.1016/j.rechem.2025.102401","DOIUrl":"10.1016/j.rechem.2025.102401","url":null,"abstract":"<div><div>A novel zirconium-based adsorbent (ZBA) was prepared and characterized. The results were compared to those of zirconium oxide (ZrO<sub>2</sub>) and zirconium hydroxide (Zr(OH)<sub>4</sub>). Moreover, the arsenic adsorption capacity of the ZBA was demonstrated. The physicochemical properties of the ZBA were similar to those of Zr(OH)<sub>4</sub>, and the ZBA was confirmed to be zirconium oxyhydroxide (ZrO(OH)<sub>2</sub>). The batch test results indicated that the adsorption of arsenic ions on ZBA or Zr(OH)<sub>4</sub> (Maximum adsorption capacity: approximately 70 mg/g) was higher than that on ZrO<sub>2</sub> (Maximum adsorption capacity: approximately 10 mg/g). The adsorption isotherms indicated arsenic ions were presented on the surface of ZBA and Zr(OH)<sub>4</sub>. The Freundlich model (<em>r</em> = 0.953–0.997) and the Langmuir model (<em>r</em> = 0.961–0.994) showed a good fit to the experimental results. In addition, the findings from the binding energy and elemental distribution analysis confirmed that arsenic ions were adsorbed on the ZBA surface. The adsorption kinetic data aligned more closely with the pseudo-second-order model (<em>r</em> = 0.992–0.996) compared to the pseudo-first-order model (<em>r</em> = 0.709–0.836), except for ZrO<sub>2</sub>. The optimal pH conditions for the removal of arsenic ions on the ZBA and Zr(OH)<sub>4</sub> under the proposed experimental conditions were pH = 6–10. Moreover, the amounts of arsenic ions adsorbed on the ZBA or Zr(OH)<sub>4</sub> in binary solution systems were slightly lower than those in single solution systems. However, ZBA maintained high arsenic adsorption capability in binary solution systems. Finally, the adsorbed arsenic ions on ZBA or Zr(OH)<sub>4</sub> were easily desorbed using a desorption solution, such as hydrochloric acid or sodium hydroxide solution, and the desorption efficiency increased with the concentration of the desorption solution. Overall, the excellent arsenic-ion removal efficiency of the proposed ZBA makes it a promising material for the treatment of arsenic-ion-polluted wastewater.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102401"},"PeriodicalIF":2.5,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144179468","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
Complexation of Eu3+ with a polycarboxylate based concrete superplasticizer in chloride media Eu3+与聚羧酸基混凝土减水剂在氯化物介质中的络合作用
IF 2.5
Results in Chemistry Pub Date : 2025-05-27 DOI: 10.1016/j.rechem.2025.102399
Sema Özyagan , Raoul E. Gillmeister , Thomas Sittel , Andrej Skerencak-Frech , Petra J. Panak
{"title":"Complexation of Eu3+ with a polycarboxylate based concrete superplasticizer in chloride media","authors":"Sema Özyagan ,&nbsp;Raoul E. Gillmeister ,&nbsp;Thomas Sittel ,&nbsp;Andrej Skerencak-Frech ,&nbsp;Petra J. Panak","doi":"10.1016/j.rechem.2025.102399","DOIUrl":"10.1016/j.rechem.2025.102399","url":null,"abstract":"<div><div>In this work, we present a complexation study of Eu<sup>3+</sup> with a commercial polycarboxylate based concrete superplasticizer Glenium® 51 in NaCl media at low to medium ionic strengths. The complexation is investigated using time-resolved laser fluorescence spectroscopy (TRLFS) at pH<sub>m</sub> = 5.1 ± 0.1. With the charge neutralization model, conditional stability constants log <em>K'</em><sub><em>m</em></sub> were determined for ionic strengths up to I<sub>m</sub> (NaCl) = 2.47 mol kg<sup>−1</sup> H<sub>2</sub>O<sup>−1</sup>. Eu<sup>3+</sup> only forms one complex with this complexant under these conditions. The conditional stability constants decrease significantly at elevated ionic strengths by almost three orders of magnitude. Thus, the Eu<sup>3+</sup>-Glenium® 51 complex formation is reduced at high ionic strengths. The determination of the conditional stability constants allows to extrapolate to the stability constant at zero ionic strength by using the specific ion interaction theory (SIT). A <span><math><mi>log</mi><mspace></mspace><msubsup><mi>K</mi><mi>m</mi><mn>0</mn></msubsup></math></span> = 8.54 ± 0.9 has been determined, which highlights the strong complexation properties of the superplasticizer. Moreover, this novel study presents first insights into the interaction of Glenium® 51 with Eu<sup>3+</sup> at various ionic strengths. Since Eu<sup>3+</sup> is used as a surrogate for trivalent actinides, these results are very important for understanding actinide behavior in cementitious systems present at the geotechnical barrier of a repository in clay rock formations of Northern Germany containing pore and formation waters with elevated ionic strength.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102399"},"PeriodicalIF":2.5,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222653","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
Analysis of phytochemicals in watercress leaves using chromatographic, spectroscopic and in-vitro approaches 用色谱、光谱和体外方法分析豆瓣菜叶片中的植物化学物质
IF 2.5
Results in Chemistry Pub Date : 2025-05-26 DOI: 10.1016/j.rechem.2025.102385
Bidisha Sengupta , Allyssa Fisher , James Villanueva , Laken Simington , Brenita Jenkins , Kaelin Travis , Debarshi Roy
{"title":"Analysis of phytochemicals in watercress leaves using chromatographic, spectroscopic and in-vitro approaches","authors":"Bidisha Sengupta ,&nbsp;Allyssa Fisher ,&nbsp;James Villanueva ,&nbsp;Laken Simington ,&nbsp;Brenita Jenkins ,&nbsp;Kaelin Travis ,&nbsp;Debarshi Roy","doi":"10.1016/j.rechem.2025.102385","DOIUrl":"10.1016/j.rechem.2025.102385","url":null,"abstract":"<div><div>Watercress (WC, <em>Nasturtium officinale</em>) is an aquatic leafy, perennial vegetable which belongs to the Brassicaceae family and is popularly used in salads and soups. Literature provides evidence on therapeutic importance of WC in treating wide spectrum of heath disorders, which include hypertension, cardiac and hepatic diseases, cancer, arthritis, bronchitis, diuresis, scurvy hypercholesterolemia, and hyperglycemia. The beneficial properties of watercress are due to the presence of phytochemicals including polyphenols, flavonoids, and terpenoids in WC leaves. The present study aims to explore the effect of a combination of polar solvents as mobile phase in HPLC to investigate the inherent phytochemical components in the WC-leaves methanol, ethanol, ethyl acetate and water extracts. Each WC leaf extract possessed a concentration of 0.105 g/mL of watercress leaf. Three different mobile phases were used in this study: i. 50 % acetonitrile, 30 % methanol, and 20 % water containing 0.04 % HCl; ii. 20 % acetonitrile, 30 % methanol, and 50 % water containing 0.04 % HCl; iii. 65 % acetonitrile, and 35 % water containing 0.04 % HCl. Our goal was to find the best solvent for extracting phytochemicals from WC leaves and to identify some of the chemicals that may be responsible for watercress's therapeutic properties. Total flavonoid content (TFC), total antioxidant capacity (TAC), and total phenolic acid content (TPAC) were determined using various colorimetric methods. Chemical structural analysis was conducted through attenuated total reflectance-Fourier transform IR (ATR-FTIR) spectroscopy. Some preliminary investigations in ovarian cancer cells showed important oxidative effects of WC against ovarian cancer.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102385"},"PeriodicalIF":2.5,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development and validation of a novel RP-HPLC method for determination of Remdesivir: Investigation of the greenness for the proposed method 瑞德西韦的反相高效液相色谱测定方法的建立与验证:该方法的绿色度考察
IF 2.5
Results in Chemistry Pub Date : 2025-05-26 DOI: 10.1016/j.rechem.2025.102382
Karthika Paul , B.H. Jaswanth Gowda , R.S. Chandan
{"title":"Development and validation of a novel RP-HPLC method for determination of Remdesivir: Investigation of the greenness for the proposed method","authors":"Karthika Paul ,&nbsp;B.H. Jaswanth Gowda ,&nbsp;R.S. Chandan","doi":"10.1016/j.rechem.2025.102382","DOIUrl":"10.1016/j.rechem.2025.102382","url":null,"abstract":"<div><div>Remdesivir, a nucleotide prodrug of an adenosine analogue, exhibits antiviral activity against SARS-CoV-2 by binding to the viral RNA-dependent polymerase and disrupting viral replication. Given its frequent analysis in pharmaceutical QC laboratories, particularly in raw materialsand drug productthe concerns arise regarding self-toxicity, necessitating analysis in toxicological centers for biological fluids. In the context of the growing global philosophy of Green Analytical Chemistry, this study focuses on assessing the greenness of RP-HPLC methods for remdesivir analysis in raw materials. The choice of HPLC methods arises from their known reproducibility, reliability, and widespread availability in quality control. The mobile phase used for the proposed method was methanol: acetonitrile: water in the ratio 10:10:80 (v/v/v) with a flow rate of 1 mL/min and a retention time of 2.2 min. The developed method achieved a LOD of 0.02 μg/mL and LOQ of 0.06 μg/mL, confirming the methodis high sensitivity and suitability for precise quantification of RDV. The study employed commonly used metric systems, for greenness evaluation, the Analytical Eco-Scale and Analytical Greenness. The comparative analysis identifies the Analytical Eco-Scale score of 79 and AGREE value of 0.78 as indicative of the greenest chromatographic method for remdesivir analysis in raw materials. Notably, the National Environmental Methods Index tool exhibits limited performance compared to other metric systems, precluding its standalone use The study concludes that the proposed RP-HPLC methods offer effective greenness with reduced time making it suitable for routine use.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102382"},"PeriodicalIF":2.5,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195101","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
Feasibility study of Caesalpinia Bonduc seed methyl ester as a sustainable biodiesel for naturally aspirated diesel engines 本品种子甲酯作为自然吸气柴油机可持续生物柴油的可行性研究
IF 2.5
Results in Chemistry Pub Date : 2025-05-26 DOI: 10.1016/j.rechem.2025.102396
D. Christopher Selvam , Damanjeet Aulakh , Beemkumar Nagappan , Geetika M. Patel , Krishna Kumar Shukla , Anshuman Jena , Yuvarajan Devarajan
{"title":"Feasibility study of Caesalpinia Bonduc seed methyl ester as a sustainable biodiesel for naturally aspirated diesel engines","authors":"D. Christopher Selvam ,&nbsp;Damanjeet Aulakh ,&nbsp;Beemkumar Nagappan ,&nbsp;Geetika M. Patel ,&nbsp;Krishna Kumar Shukla ,&nbsp;Anshuman Jena ,&nbsp;Yuvarajan Devarajan","doi":"10.1016/j.rechem.2025.102396","DOIUrl":"10.1016/j.rechem.2025.102396","url":null,"abstract":"<div><div>In consideration of the increasing concerns regarding environmental degradation and the depletion of fossil fuels, this research endeavors to assess the viability of employing <em>Caesalpinia bonduc</em> seed methyl ester (CBOBD) as a sustainable biodiesel in naturally aspirated diesel engines. Biodiesel was produced through a two-step transesterification process, and the resultant test blends (CBOBD20 to CBOBD100) were critically analyzed in comparison to conventional diesel regarding performance, combustion, and emission characteristics. The CBOBD20 blend demonstrated a brake thermal efficiency (BTE) of 32.64 %, which is merely 4.6 % inferior to that of diesel (34.22 %), while concurrently achieving a 5.7 % reduction in carbon monoxide (CO) emissions and an 8.1 % decrease in hydrocarbon (HC) emissions. Nonetheless, a slight increase of 0.4 % in nitrogen oxides (NOx) emissions was recorded. The exhaust gas temperature (EGT) exhibited a marginal rise, reaching 349.63 °C for CBOBD20 in contrast to 347.57 °C for diesel. Fuel consumption saw an increase of 0.03 kg/kWh for CBOBD20 and 0.05 kg/kWh for CBOBD100. These findings substantiate the technical feasibility of CBOBD20 as a low-emission biodiesel alternative, preserving efficiency levels comparable to diesel while providing significant environmental advantages.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102396"},"PeriodicalIF":2.5,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195111","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 glucose syrup extraction from Colocasia esculenta starch using enzymatic hydrolysis 酶法从草芋淀粉中提取葡萄糖浆的工艺优化
IF 2.5
Results in Chemistry Pub Date : 2025-05-26 DOI: 10.1016/j.rechem.2025.102397
Bethelhem Teshome , Mikiyas Abewaa , Jemal Abdu , Magesh Rangaraju , Ashagrie Mengistu , Solomon Tibebu , Tigabu Haddis
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