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Statistical Optimization and Machine-Learning-Based Analysis of Palm Oil Pretreatment (3–90% FFA) for Enhanced Free Fatty Acid Conversion in Biodiesel Production 棕榈油预处理(3-90% FFA)提高生物柴油生产中游离脂肪酸转化的统计优化和基于机器学习的分析
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-13 DOI: 10.1021/acsomega.5c07792
Maythee Saisriyoot, , , Kulthawat Tepjun, , , Anusith Thanapimmetha, , , Sakaophat Wibunlaksanakun, , , Suphitchayanee Namboonlue, , , Tunyaboon Laemthong*, , and , Penjit Srinophakun*, 
{"title":"Statistical Optimization and Machine-Learning-Based Analysis of Palm Oil Pretreatment (3–90% FFA) for Enhanced Free Fatty Acid Conversion in Biodiesel Production","authors":"Maythee Saisriyoot,&nbsp;, ,&nbsp;Kulthawat Tepjun,&nbsp;, ,&nbsp;Anusith Thanapimmetha,&nbsp;, ,&nbsp;Sakaophat Wibunlaksanakun,&nbsp;, ,&nbsp;Suphitchayanee Namboonlue,&nbsp;, ,&nbsp;Tunyaboon Laemthong*,&nbsp;, and ,&nbsp;Penjit Srinophakun*,&nbsp;","doi":"10.1021/acsomega.5c07792","DOIUrl":"https://doi.org/10.1021/acsomega.5c07792","url":null,"abstract":"<p >Palm oil is a highly efficient feedstock for large-scale biodiesel production, as it yields significantly more oil per agricultural area than other common oil crops, such as soybeans or sunflowers. However, crude palm oil often faces a high level of free fatty acid (FFA) problems, hindering biodiesel production. Pretreatment, such as esterification, is thus employed to convert FFA to fatty acid methyl ester (FAME) and avoid undesired byproducts. Response surface method (RSM) has been widely and effectively used to optimize the pretreatment conditions. To address this challenge, raw palm oil (a mixture of palm stearin and palm fatty acid distillate) with the initial FFA of 3–90% was used in the pretreatment process. A four-factor-three-level Box–Behnken experimental design was deployed to estimate the final FFA as a function of reaction time (0.5–4 h, X<sub>1</sub>), molar ratio of methanol to FFA (3:1–24:1, X<sub>2</sub>), catalyst (0.5–8 wt % based on FFA, X<sub>3</sub>), and initial FFA (3–90%, X<sub>4</sub>). Three different mathematical models were obtained and validated over different ranges of FFA in palm oil. The optimum conditions were 2.73 (X<sub>1</sub>), 22.02:1 (X<sub>2</sub>), 3.90 (X<sub>3</sub>), and 21.88 (X<sub>4</sub>) for 3–30% FFA; 2.34 (X<sub>1</sub>), 16.57:1 (X<sub>2</sub>), 3.12 (X<sub>3</sub>), and 60.00 (X<sub>4</sub>) for 30–60% FFA; and 2.40 (X<sub>1</sub>), 16.05:1 (X<sub>2</sub>), 3.12 (X<sub>3</sub>), and 90.00 (X<sub>4</sub>) for 60–90% FFA, respectively. After validation, the results showed that palm oil at 1–30 and 60–90% FFA gave fewer errors of 0.60 and 0.58% respectively, than the other ranges of 30–60% at 1.25%. Therefore, a machine learning approach was used to improve the optimum conditions, comparing decision tree, random forest, and gradient boosting. It was found that the decision tree gave the highest <i>R</i><sup>2</sup> of 0.9762, RMSE of 1.2130, and MAE of 0.4070. The new optimum conditions from the predictive model of 3–90% FFA were 2.25 (X<sub>1</sub>), 15:1 (X<sub>2</sub>), 11.5 (X<sub>3</sub>), and 46.5 (X<sub>4</sub>) via a gradient boosting model with the least percentage error to obtain %final FFA less than 1%.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"49098–49108"},"PeriodicalIF":4.3,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07792","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319317","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Heat-Dependent Adsorption of Highly Branched Mesoporous SiO2 for Multiple Aromatic Compounds in Tangerine Peel 高支化介孔SiO2在陈皮中对多种芳香族化合物的热依赖性吸附
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-13 DOI: 10.1021/acsomega.5c05991
Yanling Li, , , Hongbing Lu, , , Ting Deng, , , Sha Ding, , , Suxing Tuo*, , and , Yingju Liu*, 
{"title":"Heat-Dependent Adsorption of Highly Branched Mesoporous SiO2 for Multiple Aromatic Compounds in Tangerine Peel","authors":"Yanling Li,&nbsp;, ,&nbsp;Hongbing Lu,&nbsp;, ,&nbsp;Ting Deng,&nbsp;, ,&nbsp;Sha Ding,&nbsp;, ,&nbsp;Suxing Tuo*,&nbsp;, and ,&nbsp;Yingju Liu*,&nbsp;","doi":"10.1021/acsomega.5c05991","DOIUrl":"https://doi.org/10.1021/acsomega.5c05991","url":null,"abstract":"<p >The extraction of active aromatic components from tangerine peel is a key challenge due to the limitations of traditional methods in terms of yield, selectivity, and efficiency. This study presents a novel approach using highly branched mesoporous SiO<sub>2</sub> (HB-MSN) with a large pore structure to selectively adsorb multiple aromatic compounds in tangerine peel. HB-MSN with adjustable pore sizes and high surface area can offer distinct advantages over traditional SiO<sub>2</sub> nanoparticles, particularly for the adsorption of complex molecules in a natural matrix. Herein, the chromatographic method was developed for efficient separation and corresponding qualitative detection of six key aromatic compounds in tangerine peel. Meanwhile, the adsorption mechanisms and models were used to investigate the interaction between HB-MSN and such six aromatic components, focusing on the influence of heat-driven effect on the efficiency of the adsorption. Thermodynamic and kinetic analyses demonstrated that thermal energy not only accelerates the movement of aromatic compounds in solution, facilitating their diffusion toward the surface of HB-MSN through local concentration gradients but also enhances the adsorption effect by promoting mass transfer within the adsorbent particles. Therefore, the thermally driven acceleration effect is the mainly adsorption mechanism of HB-MSN for aromatic compounds in complex systems. This research provides a foundation for the sustainable adsorption and analysis of tangerine peel’s bioactive fragrance compounds, with potential applications in the pharmaceutical, cosmetic, and food industries.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48444–48453"},"PeriodicalIF":4.3,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05991","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pork-Derived Porous Carbon for Supercapacitors: Achieving “Near-Zero-Loss” and Ultralong Cycle Life 猪肉衍生的多孔碳超级电容器:实现“近零损耗”和超长循环寿命
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-13 DOI: 10.1021/acsomega.5c08616
Haoyang Peng, , , Huihua Li, , , Yulei Liu, , , Han Zhang, , , Ziwen Wang, , and , Minjie Wang*, 
{"title":"Pork-Derived Porous Carbon for Supercapacitors: Achieving “Near-Zero-Loss” and Ultralong Cycle Life","authors":"Haoyang Peng,&nbsp;, ,&nbsp;Huihua Li,&nbsp;, ,&nbsp;Yulei Liu,&nbsp;, ,&nbsp;Han Zhang,&nbsp;, ,&nbsp;Ziwen Wang,&nbsp;, and ,&nbsp;Minjie Wang*,&nbsp;","doi":"10.1021/acsomega.5c08616","DOIUrl":"https://doi.org/10.1021/acsomega.5c08616","url":null,"abstract":"<p >While biomass-derived carbon materials have been extensively explored in the field of energy storage, research focusing on animal protein as a precursor remains relatively scarce, and its potential value is yet to be fully exploited. In this study, oxygen-rich protein-based biomass porous carbons were prepared using pork as the raw material and phosphate distarch as the additive via a strategy involving compositing, subsequent carbonization, and KOH activation. Among these carbons, sample APE-2 possessed a high oxygen content of 9.81%, a hierarchical micromesoporous structure dominated by micropores, specific surface area (SSA) per unit amount of 1599 m<sup>2</sup> g<sup>–1</sup>, and pore volume at 0.692 cm<sup>3</sup> g<sup>–1</sup>. Under a three-electrode cell where 6 M KOH functions as the electrolyte, it demonstrated an excellent reversible specific capacitance of 565 F g<sup>–1</sup> under 1 A g<sup>–1</sup> as well as outstanding rate capability, maintaining a specific capacitance of 474 F g<sup>–1</sup> even at 35 A g<sup>–1</sup>. When utilized as electrode materials to assemble symmetric supercapacitors (SCs) using 6 M KOH, it achieved a prominent reversible specific capacitive performance at 250 F g<sup>–1</sup> under 0.5 A g<sup>–1</sup> as well as remained at 143 F g<sup>–1</sup> under 20 A g<sup>–1</sup>. It also exhibits an ultrastable cycling behavior with nearly “zero decay” as evidenced by a capacitance retention of 99.7% after 20,000 cycles.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"49199–49206"},"PeriodicalIF":4.3,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c08616","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bioactive Cr(III), Co(II), and Mn(II) Complexes with N′((3-Hydroxynaphthalen-2-yl)methylene)picolinohydrazide: Structural, Computational, and Biological Studies 生物活性Cr(III), Co(II)和Mn(II)配合物与N '((3-羟基萘-2-基)亚甲基)吡啶酰肼:结构,计算和生物学研究
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-13 DOI: 10.1021/acsomega.5c05921
Yasmeen G. Abou El-Reash, , , Saja Abdulrahman Althobaiti, , , Sahar Abdalla, , , Gaber M. Abu El-Reash, , and , Mahdi A. Mohammed*, 
{"title":"Bioactive Cr(III), Co(II), and Mn(II) Complexes with N′((3-Hydroxynaphthalen-2-yl)methylene)picolinohydrazide: Structural, Computational, and Biological Studies","authors":"Yasmeen G. Abou El-Reash,&nbsp;, ,&nbsp;Saja Abdulrahman Althobaiti,&nbsp;, ,&nbsp;Sahar Abdalla,&nbsp;, ,&nbsp;Gaber M. Abu El-Reash,&nbsp;, and ,&nbsp;Mahdi A. Mohammed*,&nbsp;","doi":"10.1021/acsomega.5c05921","DOIUrl":"https://doi.org/10.1021/acsomega.5c05921","url":null,"abstract":"<p >The present study focuses on the synthesis and characterization of novel bioactive complexes of Cr(III), Co(II), and Mn(II) derived from N′-((3-hydroxynaphthalen-2-yl)methylene)picolinohydrazide (H<sub>2</sub>L), a Schiff-base ligand featuring multifunctional donor sites. The primary objective was to investigate the coordination behavior, stability, and biological efficacy of these metal chelates. The complexes were synthesized via direct metal–ligand reactions and characterized using elemental analysis, FT-IR spectroscopy, UV–Vis, PXRD, <sup>1</sup>H NMR spectroscopy, MS, magnetic susceptibility measurements, and thermogravimetric analysis. Spectroscopic evidence supported tetrahedral geometries for the Co(II) and Mn(II) complexes, while the Cr(III) complex exhibited an octahedral arrangement. Thermogravimetric and kinetic studies yielded positive activation free energy (Δ<i>G</i>*) values, indicating nonspontaneous decomposition pathways and high thermal stability. Quantum Theory of Atoms in Molecules (QTAIM) and reduced density gradient (RDG) analyses were performed to elucidate the nature of ligand–receptor interactions. Biological assessments revealed promising results, as DNA degradation assays demonstrated notable nuclease-like activity, particularly for the Co(II) complex. Antibacterial potency was evaluated via minimum inhibitory concentration (MIC), where the Mn(II) complex exhibited the strongest activity (0.313 mg/mL), followed by Co(II) and Cr(III) (0.625 mg/mL each), and the free ligand (1.250 mg/mL). Cytotoxicity testing against HeLa, HCT-116, and MCF-7 cancer cell lines showed high anticancer efficacy for the [CoL]·2H<sub>2</sub>O complex with IC<sub>50</sub> values of 7.76  ±  0.4, 10.23  ±  0.8, and 6.88  ±  0.4 μM, respectively. Molecular docking studies using an induced fit protocol highlighted the strong noncovalent interactions of the complexes with DNA targets relevant to each cell line.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48454–48473"},"PeriodicalIF":4.3,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05921","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mesocosm Study of Chemical Treatments on Methane Emissions in Oil Sands Tailings Ponds─Part I: Focusing on the Change of Microbial Communities and Tailings Dewaterability 化学处理对油砂尾矿库甲烷排放的介观研究──第一部分:以微生物群落变化和尾矿脱水能力为重点
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-13 DOI: 10.1021/acsomega.5c07316
Xiaomeng Wang*, , , Nayereh Saborimanesh, , , Petr Kuznetsov, , , Amanda Cook, , , Jordan Elias, , , Louis Jugnia, , , Bipro Ranjan Dhar, , and , Ania Ulrich, 
{"title":"Mesocosm Study of Chemical Treatments on Methane Emissions in Oil Sands Tailings Ponds─Part I: Focusing on the Change of Microbial Communities and Tailings Dewaterability","authors":"Xiaomeng Wang*,&nbsp;, ,&nbsp;Nayereh Saborimanesh,&nbsp;, ,&nbsp;Petr Kuznetsov,&nbsp;, ,&nbsp;Amanda Cook,&nbsp;, ,&nbsp;Jordan Elias,&nbsp;, ,&nbsp;Louis Jugnia,&nbsp;, ,&nbsp;Bipro Ranjan Dhar,&nbsp;, and ,&nbsp;Ania Ulrich,&nbsp;","doi":"10.1021/acsomega.5c07316","DOIUrl":"https://doi.org/10.1021/acsomega.5c07316","url":null,"abstract":"<p >In this study, we proposed mitigation strategies to reduce methane emissions from oil sands tailings ponds and determined the extent to which certain chemicals (Na<sub>2</sub>MoO<sub>4</sub>·2H<sub>2</sub>O, Fe<sub>2</sub>(SO<sub>4</sub>)<sub>3</sub>, Na<sub>2</sub>SO<sub>4</sub>, and Na<sub>3</sub>C<sub>6</sub>H<sub>5</sub>O<sub>7</sub>·2H<sub>2</sub>O) could affect the methanogenesis process. Lab-scale mesocosms were used to compare the amount of fugitive emissions between paraffinic and naphthenic producer tailings. The inter-relationships among different parameters, such as methane, water chemistry, residual bitumen content in tailings, and microbial community, were investigated before and after the methane inhibition process. It was found that under different chemical treatment regimens, methanogenic populations were either suppressed or stimulated, demonstrating that functionally similar disturbances in natural systems may result in distinct responses of the microbial populations involved. The 16S RNA gene sequencing data revealed that both solvents and chemical treatments significantly impacted microbial diversity and communities in tailings, leading to notable shifts in dominant microbial families and a decrease in diversity in the treated samples. These treatments affected methanogenic families, reducing the abundance of archaeal methanogens (e.g., <i>Methanegulaceae</i>) while increasing the presence of microbial families involved in hydrocarbon degradation, such as <i>Spirochaetaceae</i> and <i>Thermovirgaceae</i>. This study lays the groundwork for potential economically viable approaches to reduce methane emissions from oil sands tailings ponds.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48948–48964"},"PeriodicalIF":4.3,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07316","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319436","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tetrahedral DNA Framework Penetrating Ocular Barrier for Treatment of Retinal Oxidative Stress 四面体DNA框架穿透眼屏障治疗视网膜氧化应激
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-12 DOI: 10.1021/acsomega.5c07330
Tianqin Wang, , , Yuelu Zhang*, , , Wenjuan Xiao, , , Yangyang Jin, , , Qiuxue Yi, , , Qi Chen, , , Jiayang Xiang, , , Ruobing Wang*, , , Jin Li*, , and , Lin Liu*, 
{"title":"Tetrahedral DNA Framework Penetrating Ocular Barrier for Treatment of Retinal Oxidative Stress","authors":"Tianqin Wang,&nbsp;, ,&nbsp;Yuelu Zhang*,&nbsp;, ,&nbsp;Wenjuan Xiao,&nbsp;, ,&nbsp;Yangyang Jin,&nbsp;, ,&nbsp;Qiuxue Yi,&nbsp;, ,&nbsp;Qi Chen,&nbsp;, ,&nbsp;Jiayang Xiang,&nbsp;, ,&nbsp;Ruobing Wang*,&nbsp;, ,&nbsp;Jin Li*,&nbsp;, and ,&nbsp;Lin Liu*,&nbsp;","doi":"10.1021/acsomega.5c07330","DOIUrl":"https://doi.org/10.1021/acsomega.5c07330","url":null,"abstract":"<p >Excessive accumulation of reactive oxygen species in the retina is the predominant pathogenic mechanism underlying dry age-related macular degeneration (dAMD). Although antioxidant chemicals have been shown to be effective in reducing ROS levels, their bioavailability and therapeutic efficacy are restricted by ocular barriers. Herein, we developed a tetrahedral framework nucleic acid (tFNA)-based antioxidant drug for the treatment of retinal oxidative stress diseases. By exploiting their penetration capability, these tFNAs penetrated multiple ocular tissues and cellular barriers. These tFNAs protected retinal pigment epithelium cells from glyoxal-induced oxidative stress damage by exerting their intrinsic antioxidant properties through the JNK and AKT pathways upon entering the cells. The subconjunctival administration of tFNAs alleviated structural damage and reduced retinal cell apoptosis in a retinal oxidative stress rat model. These results indicated that tFNAs are a promising therapeutic drug for the treatment of retinal oxidative stress diseases, which sheds light on the development of dAMD therapy.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48984–48990"},"PeriodicalIF":4.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07330","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lanostane–Meroterpene Conjugates with Unusual Aryl Ether Linkage and a Lanostane Dimer from Artificially Cultivated Fruiting Bodies of Ganoderma cf. hochiminhense 人工栽培灵芝子实体中异芳醚键的羊毛甾烷-甲基萜偶联物及一种羊毛甾烷二聚体
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-12 DOI: 10.1021/acsomega.5c06826
Malipan Sappan, , , Panida Chinthanom, , , Kitlada Srichomthong, , , Tuksaporn Thummarukcharoen, , , Rattaket Choeyklin, , , Aphidech Sangdee, , and , Masahiko Isaka*, 
{"title":"Lanostane–Meroterpene Conjugates with Unusual Aryl Ether Linkage and a Lanostane Dimer from Artificially Cultivated Fruiting Bodies of Ganoderma cf. hochiminhense","authors":"Malipan Sappan,&nbsp;, ,&nbsp;Panida Chinthanom,&nbsp;, ,&nbsp;Kitlada Srichomthong,&nbsp;, ,&nbsp;Tuksaporn Thummarukcharoen,&nbsp;, ,&nbsp;Rattaket Choeyklin,&nbsp;, ,&nbsp;Aphidech Sangdee,&nbsp;, and ,&nbsp;Masahiko Isaka*,&nbsp;","doi":"10.1021/acsomega.5c06826","DOIUrl":"https://doi.org/10.1021/acsomega.5c06826","url":null,"abstract":"<p >Ten previously undescribed compounds, including eight lanostane–meroterpene conjugates, ganohochimins A–H (<b>1</b>–<b>8</b>), a lanostane dimer, ganohochimate A (<b>9</b>), and a meroterpenoid, fornicin F (<b>10</b>), were isolated from the cultivated mushroom <i>Ganoderma cf. hochiminhense</i>(strain TBRC-BCC 22084). The 24<i>S</i>-configuration of ganohochimin A (<b>1</b>) was determined by cleavage of the aryl ether under acidic conditions. The structure of ganohochimate A (<b>9</b>) was confirmed by alkaline hydrolysis to cleave into two lanostane units. Ganohochimins exhibited cytotoxicity against NCI-H187 (small-cell lung cancer) cells (IC<sub>50</sub> 7.7–33 μM) and noncancerous Vero cells (IC<sub>50</sub> 6.3–30 μM).</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48818–48828"},"PeriodicalIF":4.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06826","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Entrapped and Free Calcium Hydroxyapatite Particles on Rheological Properties of Hyaluronic Acid–Calcium Hydroxyapatite Composite Hydrogels 包覆和游离羟基磷灰石钙颗粒对透明质酸-羟基磷灰石钙复合水凝胶流变性能的影响
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-12 DOI: 10.1021/acsomega.5c05147
Hai Xin, , , Anne Seigneur, , , Aude Bernardin, , , Sabitoj Singh Virk, , , Akashdeep Singh Virk, , , Maria Calderon Vaca, , and , Samiul Amin*, 
{"title":"Effect of Entrapped and Free Calcium Hydroxyapatite Particles on Rheological Properties of Hyaluronic Acid–Calcium Hydroxyapatite Composite Hydrogels","authors":"Hai Xin,&nbsp;, ,&nbsp;Anne Seigneur,&nbsp;, ,&nbsp;Aude Bernardin,&nbsp;, ,&nbsp;Sabitoj Singh Virk,&nbsp;, ,&nbsp;Akashdeep Singh Virk,&nbsp;, ,&nbsp;Maria Calderon Vaca,&nbsp;, and ,&nbsp;Samiul Amin*,&nbsp;","doi":"10.1021/acsomega.5c05147","DOIUrl":"https://doi.org/10.1021/acsomega.5c05147","url":null,"abstract":"<p >Injectable hydrogels are intensely studied for biomedical and cosmeceutical applications where a polymer matrix is cross-linked to incorporate therapeutic molecules or particles and injected to achieve drug delivery, tissue regeneration, skin wound healing, etc. However, to realize these potential applications, a deeper understanding of rheological and viscoelastic behaviors of the hydrogel systems and matrix-particle interactions is required for future formula optimization and product development. To fill this gap, in the present work, we prepared chemically cross-linked hyaluronic acid (HA) and incorporated calcium hydroxyapatite (CaHA) particles to fabricate HA-CaHA hydrogel composites. CaHA fillers were integrated into the HA network before or after the cross-linking reactions to create either entrapped (before cross-linking) or free (after cross-linking) particles, and the resultant specimens were analyzed with various rheological tests to investigate their effects on the viscoelasticity, creep recovery, yield stress, and flow behaviors of the overall HA-CaHA hydrogel composites. To the best of our knowledge, the preparation of biopolymer-based injectable hydrogels incorporating both entrapped CaHA and free CaHA particles has not been reported by far. The present work not only provides a systematic rheological profile of HA-CaHA injectable hydrogels but also investigates the influence of two types of CaHA particles on the overall viscoelastic and rheological properties of the hydrogel system. The results will present crucial information to support future optimizations in hydrogel design, biomaterial selection, and structural analysis for various wet soft materials with promising biomedical and cosmaceutical applications.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"48242–48256"},"PeriodicalIF":4.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05147","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Characterization, and Performance Evaluation of Highly Reactive and Sustainable Hot-Melt Polyurethane Adhesives Derived from Lignin-Based Polyols 基于木质素多元醇的高活性可持续热熔聚氨酯胶粘剂的合成、表征和性能评价
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-12 DOI: 10.1021/acsomega.5c00473
Shazia Naheed*, , , Sadia Afsheen, , , Muhammad Zuber, , , Mahwish Salman, , and , Tanzeela Khalid, 
{"title":"Synthesis, Characterization, and Performance Evaluation of Highly Reactive and Sustainable Hot-Melt Polyurethane Adhesives Derived from Lignin-Based Polyols","authors":"Shazia Naheed*,&nbsp;, ,&nbsp;Sadia Afsheen,&nbsp;, ,&nbsp;Muhammad Zuber,&nbsp;, ,&nbsp;Mahwish Salman,&nbsp;, and ,&nbsp;Tanzeela Khalid,&nbsp;","doi":"10.1021/acsomega.5c00473","DOIUrl":"https://doi.org/10.1021/acsomega.5c00473","url":null,"abstract":"<p >The current research was conducted to study the use of waste materials to isolate lignin, which was further used to prepare polyurethane hot-melt adhesives. To enhance the reactivity of lignin, its hydroxyl content was increased by hydroxymethylation, and then it was polymerized with 4,4′-methylenediphenyl diisocyanate (MDI), polyethylene glycol (PEG), and 1,4-butanediol (BDO) to prepare polyurethane hot-melt adhesives. SiO<sub>2</sub> nanoparticles were added to provide mechanical strength to the final polymer. The structure of the final polymer was confirmed by FT-IR spectroscopy. Morphological behaviors were analyzed by using SEM and XRD. Thermomechanical characteristics were studied by using thermogravimetric analysis (TGADSC). Finally, the adhesion properties were analyzed by using melting viscosity, softening temperature, and a T-peel strength test. The absence of the -NCO peak of monomers in the FT-IR spectra confirmed the completion of the reaction. The gradual decrease in thermal transition and increasing crystallinity in the DSCTGA thermograms represent its stable thermal behavior. SEM and XRD show that the prepared hot-melt polyurethane adhesives have distinct crystallinity and peaks. Melting viscosity, softening temperature, and T-peel strength test exhibit the strong adhesive behaviors of the prepared biobased polymers in different time intervals under stress and heating conditions. HMPUA-4 with optimum values of lignin and SiO<sub>2</sub> nanoparticles is considered to be the best product due to its high adhesive properties and sustainability. Lignin’s strong antibacterial activity is also evidence that a promising polymeric adhesive was prepared that can be used in various fields.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"47857–47866"},"PeriodicalIF":4.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c00473","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Contribution of Structural Changes in Cellulose Fibers Induced by Alkali Treatment to Their Nanofibrillation 碱处理引起的纤维素纤维结构变化对其纳米纤颤的贡献
IF 4.3 3区 化学
ACS Omega Pub Date : 2025-10-12 DOI: 10.1021/acsomega.5c07902
Sungoo Kim, , , Kyojung Hwang, , , Jimin Lee, , , Sang-Jin Chun, , , Dokyung Lee, , , Youngsu Kim, , , Danbee Lee, , and , Jaegyoung Gwon*, 
{"title":"Contribution of Structural Changes in Cellulose Fibers Induced by Alkali Treatment to Their Nanofibrillation","authors":"Sungoo Kim,&nbsp;, ,&nbsp;Kyojung Hwang,&nbsp;, ,&nbsp;Jimin Lee,&nbsp;, ,&nbsp;Sang-Jin Chun,&nbsp;, ,&nbsp;Dokyung Lee,&nbsp;, ,&nbsp;Youngsu Kim,&nbsp;, ,&nbsp;Danbee Lee,&nbsp;, and ,&nbsp;Jaegyoung Gwon*,&nbsp;","doi":"10.1021/acsomega.5c07902","DOIUrl":"https://doi.org/10.1021/acsomega.5c07902","url":null,"abstract":"<p >The aim of this study is to explore the effect of strong alkali pretreatment on manufacturing cellulose nanofibrils (CNFs) with mechanical grinding. The structural change (from cellulose I to cellulose II) and a sharp reduction in the yield of the hemicellulose component (xylose) of cellulose fibers (bleached kraft pulp) were observed after strong NaOH (20 wt %) pretreatment. However, the differences depending on treatment time (1 or 2 h) were not significant. The subsequent mechanical grinding did not lead to any significant changes in the chemical composition, specifically the sugar contents, of the cellulose fiber. Morphological analyses showed that the generated micro- and nanofibers in the suspension gradually decreased with an increasing number of mechanical passes . Also, the mean width of the nanofibers produced from alkali-pretreated pulp was relatively thicker than that from untreated pulp. The results can be attributed to changes in the cellulose crystal structure and the loss of internal structural integrity under strong alkali treatment. UV transmittance and turbidity results showed that alkali pretreatment and subsequent mechanical grinding led to an increase in the nanofibril content.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 41","pages":"49087–49097"},"PeriodicalIF":4.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07902","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319385","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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