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Evaluating Underground CO2 Storage Potential across Sedimentary Facies of the Michigan Basin 密歇根盆地沉积相地下CO2储存潜力评价
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-05 DOI: 10.1021/acsomega.6c08038
Nimarta Kaur, Christina Miller, Pablo Sanchez, Emyline Kirda, Alberto Gutiérrez-Vegad, Santiago Aparicio, Ashley Scott, Autumn Haagsma, Ahmad Al-Bodour, Mert Atilhan

Rising atmosphericCO2 concentrations demand scalableand geologically reliable carbon capture and storage solutions. TheMichigan Basin, with its well-characterized Paleozoic sedimentarysequences and proximity to major industrial emission sources, representsa promising target for underground CO2 storage. This studysystematically evaluates the CO2 storage potential of ninedistinct sedimentary rock facies retrieved from the Consumers BrineDisposal 139 (BD-139) well, providing a facies-resolved frameworkfor assessing subsurface sequestration capacity. High-pressure isochoricCO2 adsorption experiments were conducted across threetemperature isotherms (25 °C, 35 °C, and 45 °C) andsix pressure points (10–35 bar), complemented by comprehensivematerial characterization, including Brunauer–Emmett–Teller(BET) surface area analysis, Fourier transform infrared spectroscopy(FTIR), scanning electron microscopy equipped with energy-dispersivespectroscopy (SEM-EDS), and thermogravimetric analysis (TGA). Basedon their inferred mineralogical composition and thermal behavior,the nine facies were classified into three distinct groups: silicate-richorganic-bearing rocks (Group 1), siliciclastic assemblages with asubordinate carbonate component (Group 2), and carbonate-bearing dolomiticfacies (Group 3). Facies 3 exhibited the highest apparent CO2 uptake, 855.7 mg/g at 35 bar and 25 °C, and all facies gaveheats of sorption below 60 kJ/mol, consistent with predominantly physicalinteractions and with favorable reversibility for storage cycling.Because the measurements were performed on pulverized material, andbecause the apparent uptake of the highest-performing facies exceedsthe volumetric capacity of its own pore system, these quantities arereported and interpreted throughout as apparent isochoric uptake determinedunder identical conditions. They provide a quantitative relative rankingof the facies rather than absolute in situ storage capacities, andthe bounds governing their interpretation are set out in Section 3.5.3.Complementary CO2 absorption experiments in synthetic brinesolutions yielded a solid precipitate on depressurization, indicatinga potential mineral trapping pathway under high-pressure conditions.The findings establish a direct link between facies-level geologicalheterogeneity and CO2 storage performance, offering a practicalscreening framework for site selection and reservoir evaluation withinthe Michigan Basin and analogous sedimentary systems.

不断上升的大气二氧化碳浓度需要可扩展且地质可靠的碳捕获和储存解决方案。密歇根盆地具有良好的古生代沉积序列特征,靠近主要的工业排放源,是一个有希望的地下二氧化碳储存目标。本研究系统地评估了从consumer BrineDisposal 139 (BD-139)井中提取的9种不同沉积岩相的二氧化碳储存潜力,为评估地下封存能力提供了一个分相的框架。高压等氯co2吸附实验在3个温度等温线(25°C、35°C和45°C)和6个压力点(10-35 bar)上进行,并辅以全面的材料表征,包括布鲁诺尔-埃米特-泰勒(BET)表面积分析、傅里叶变换红外光谱(FTIR)、配备能量色散光谱(SEM-EDS)的扫描电子显微镜和热重分析(TGA)。根据其推断的矿物组成和热行为,将9个相划分为3组:富硅酸盐-含有机质岩(组1)、含次碳酸盐岩组分的硅屑组合(组2)和含碳酸盐岩白云岩相(组3)。相3表现出最高的表观CO2吸收量,在35 bar和25°C条件下达到855.7 mg/g,并且所有相的吸附热均低于60 kJ/mol,这与主要的物理相互作用一致,并且具有良好的储存循环可逆性。由于测量是在粉状材料上进行的,并且由于表现最好的相的表观吸收量超过了其自身孔隙系统的体积容量,因此这些数量在相同条件下被报道和解释为表观等时吸收量。它们提供了相的定量相对排序,而不是绝对的原位存储容量,其解释的界限在第3.5.3节中列出。在合成盐水溶液中进行的互补CO2吸收实验在减压条件下产生了固体沉淀,表明高压条件下可能存在捕获矿物的途径。研究结果建立了相级地质非均质性与CO2储存性能之间的直接联系,为密歇根盆地和类似沉积体系的选址和储层评估提供了实用的筛选框架。
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引用次数: 0
Sustainable Platform for Biologics Delivery from Cellulose Microcrystals 可持续的纤维素微晶体生物制剂输送平台
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-05 DOI: 10.1021/acsomega.5c04662
Phatheera Kachai, Jaturaporn Waenwong, Ansaya Pumchan, Weekit Sirisaksoontorn, Thammanoon Thaweechai, Sasimanas Unajak, Chaiya Prasittichai

Cellulose-based materialsare promising biocarriers owing to theirinherent biodegradability, biocompatibility, and low toxicity. Thisstudy demonstrates the potential of microcrystalline cellulose (MCC),synthesized through an acid hydrolysis of cotton using H2SO4:H2O2 (3:1), followed by a 2,2,6,6-tetramethylpiperidine-1-oxyl(TEMPO)-mediated oxidation process, as a biologics carrier. Hydrolysistime affected the MCC size and morphology, while oxidation introducedcarboxyl groups for functionalization. Chitosan (CHI) was used todecorate the MCC, enhancing its protein-binding ability. The biologicloading capacity of both synthesized MCC and CHI-decorated MCC (MCC/CHI)was evaluated using bovine serum albumin (BSA) as a model protein.Results indicated that MCC/CHI exhibited a more than 22% increasein BSA loading compared with unmodified MCC. Furthermore, the influenceof phosphate on BSA attached to both the MCC and MCC/CHI was investigated.It was observed that the phosphate solution aided in maintaining theBSA configuration, irrespective of pH variations in the solution.As a result, despite the difference in surface properties, a similarpattern of BSA release was observed for both the MCC and MCC/CHI.These findings highlight the potential of functionalized MCC for abiologics delivery system in the future.

纤维素基材料因其固有的生物可降解性、生物相容性和低毒性而成为很有前途的生物载体。本研究证明了微晶纤维素(MCC)作为生物载体的潜力,该微晶纤维素是通过H2SO4:H2O2(3:1)对棉花进行酸水解,然后通过2,2,6,6-四甲基哌啶-1-氧(TEMPO)介导的氧化过程合成的。水解时间影响MCC的大小和形态,而氧化作用引入羧基进行官能化。用壳聚糖(CHI)修饰MCC,增强其蛋白结合能力。以牛血清白蛋白(BSA)为模型蛋白,对合成的MCC和CHI修饰的MCC的生物负载能力(MCC/CHI)进行了评价。结果表明,与未经修饰的MCC相比,MCC/CHI的BSA载量增加了22%以上。此外,还研究了磷酸盐对MCC和MCC/CHI上附着的牛血清白蛋白的影响。观察到,无论溶液的pH值如何变化,磷酸盐溶液都有助于维持bsa的结构。结果,尽管表面性质不同,但在MCC和MCC/CHI中观察到相似的BSA释放模式。这些发现突出了功能化MCC在未来生物制剂递送系统中的潜力。
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引用次数: 0
Analysis and Modeling of Iron Ore Reduction and Melting Behavior under Blast Furnace Ore-Coke Coupling Conditions 高炉矿焦耦合条件下铁矿石还原熔融行为分析与建模
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-08 DOI: 10.1021/acsomega.6c03909
Mingxin Wu, Jinbo Li, Tingle Li, Qi Wang, Liangping Xu, Guanghui Li, Tao Jiang

The efficiency ofblast furnace (BF) ironmaking, a predominantmethod for pig iron production, is profoundly influenced by the reduction-contractionbehavior and melting reduction mechanism of iron ore within the cohesivezone. These factors are critical for optimizing BF operations andenergy utilization, yet remain incompletely understood, particularlyunder ore-coke coupling conditions. This study introduces a novelmethodology to investigate the complex interactions between iron oreand coke, focusing on oxygen and carbon transfer during high-temperaturereduction processes. Results demonstrate that the contraction rateof the iron ore layer is positively correlated with the direct reductionrate prior to melting, whereas inversely related trends emerge duringthe melting process. Postmelting, the contraction rate is governedby the dripping behavior of slag and molten iron permeating throughthe coke layer. The melting reduction mechanism is delineated intotwo distinct stages: the initial stage involves direct reaction betweenFeO and coke, while the subsequent stage is characterized by carbonmonoxide production from the reaction of coke with CO2,which subsequently permeates into the iron layer, establishing a gasfilm (CO and CO2) at the coke-iron interface. This researchprovides fundamental insights into the thermal behavior and modelingof iron ore reduction and melting in BFs, offering a robust theoreticalfoundation for enhancing iron ore and coke utilization efficiencywhile reducing carbon emissions.

高炉炼铁是生铁生产的主要方式,其生产效率受到铁矿在黏结带内的还原收缩行为和熔融还原机制的深刻影响。这些因素对于优化高炉操作和能源利用至关重要,但仍未完全了解,特别是在矿焦耦合条件下。本研究引入了一种新的方法来研究铁矿石和焦炭之间的复杂相互作用,重点关注高温还原过程中的氧和碳传递。结果表明:铁矿层收缩率与熔化前直接还原率呈正相关,而熔化过程中直接还原率呈负相关。熔解后,收缩速率受炉渣和铁水渗透焦炭层的滴落行为支配。熔融还原机制分为两个不同的阶段:初始阶段是feo与焦炭之间的直接反应,而后续阶段的特征是焦炭与CO2反应产生一氧化碳,一氧化碳随后渗透到铁层中,在焦炭-铁界面处形成气膜(CO和CO2)。本研究为高炉中铁矿石还原和熔化的热行为和建模提供了基础见解,为提高铁矿石和焦炭的利用效率,同时减少碳排放提供了坚实的理论基础。
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引用次数: 0
FBMN-Guided Discovery of Cyanogrisides from Mutant Strain CRM005 and Structural Diversification fbmn引导下从突变株CRM005中发现杀氰剂及其结构多样化
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-06 DOI: 10.1021/acsomega.6c04357
Yukang Gao, Yun Luo, Qingyun Wen, Linmeng Chen, Guoliang Zhu, Peng Fu, Peipei Liu, Weiming Zhu

Through genome mining and metabolomic analysis of themutant strainCRM005, combined with feature-based molecular networking (FBMN) deduplication,five novel natural cyanogrisides (1–5) were selectively isolated and characterized, alongside six previouslyreported analogs (6–11). Antiproliferativeassays demonstrated that cyanogriside K (8) exhibitedpotent and selective cytotoxicity against HCT-116 cells, with an IC50 value of 0.70 μM. In an effort to maximize the reutilizationof natural product resources, the major aglycone caerulomycin H (11) was utilized to develop a glycosylation system, affordinga small panel of nine glycosylated derivatives (13–21). Subsequent antiproliferative evaluations facilitateda preliminary structure–activity relationship analysis focusedon variations in the glycosyl groups. Notably, the synthetic compound 13 displayed submicromolar-level activity against the humanglioblastoma cell line SF-126 (IC50 0.49 μM), surpassingthe activity of doxorubicin (IC50 0.78 μM). Thesefindings position compound 13 as a promising cytotoxichit derived from a small semisynthetic library and offer preliminaryinsight into how glycosyl modification impacts antiproliferative activity.

通过对突变菌株crm005的基因组挖掘和代谢组学分析,结合基于特征的分子网络(FBMN)重复数据删除,我们选择性地分离和表征了5种新型天然氰grisides(1-5),以及6种先前报道的类似物(6-11)。抗增殖实验表明,氰杀虫剂K(8)对HCT-116细胞具有强效和选择性的细胞毒性,IC50值为0.70 μM。为了最大限度地利用天然产物资源,主要的糖苷元绿霉素H(11)被用于开发糖基化系统,提供了9个糖基化衍生物的小面板(13-21)。随后的抗增殖评价促进了初步的结构-活性关系分析,重点是糖基的变化。值得注意的是,合成的化合物13对人胶质母细胞瘤细胞系SF-126具有亚微摩尔水平的活性(IC50为0.49 μM),超过了阿霉素(IC50为0.78 μM)。这些发现表明化合物13是从一个小的半合成文库中衍生出来的一种有前途的细胞毒性药物,并为糖基修饰如何影响抗增殖活性提供了初步的见解。
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引用次数: 0
The Role of Membranes in Tissue Regeneration Therapy: State of the Art and Future Perspectives 膜在组织再生治疗中的作用:现状和未来展望
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-06 DOI: 10.1021/acsomega.6c07202
Raphael Ferreira da Silva, Renata Ribeiro de Castro, Gabriela Warwar Teixeira, Paula de Souza Soares, Valéria Pereira de Sousa, Carlos Rangel Rodrigues, Flávia Almada do Carmo, Lucio Mendes Cabral

Membranes for tissue regeneration are an indispensableclass ofbiomaterials in regenerative medicine, serving as selective barriersand matrices for the reconstruction of various tissues. Essentialcharacteristics for the clinical success of a biomaterial includeits biocompatibility, degradation kinetics, mechanical properties,and bioactivity, which are the focus of this review, with an emphasison the importance of immunomodulation and the host response. The mainclinical applications of this class of biomaterials are directed towardsbone, cartilage, skin, and neural regeneration. In addition to evaluatingthe essential characteristics of these membranes, innovations suchas smart, stimuli-responsive, and bioelectric membranes, as well asadvances in 4D bioprinting, were also addressed. It is concluded that,despite established clinical success, the main challenges lie in overcomingmaterial variability, vascularizing large-volume defects, and translatingadvanced technologies into clinical practice. Future perspectivespoint towards the development of personalized, smart, and bio-instructivemembranes capable of actively orchestrating the regeneration process.

组织再生膜是再生医学中不可缺少的一类生物材料,是各种组织重建的选择性屏障和基质。生物材料临床成功的基本特征包括其生物相容性、降解动力学、机械性能和生物活性,这是本文的重点,强调免疫调节和宿主反应的重要性。这类生物材料的主要临床应用方向是骨、软骨、皮肤和神经再生。除了评估这些膜的基本特性外,还讨论了智能、刺激响应和生物电膜等创新,以及4D生物打印的进展。结论是,尽管取得了临床成功,但主要的挑战在于克服材料的可变性,血管大容量缺陷,以及将先进技术转化为临床实践。未来的观点指向能够主动协调再生过程的个性化、智能和生物指导膜的发展。
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引用次数: 0
Oleanolic Acid-Loaded Organosilica Nanoparticles for Synergistic Anti-Inflammatory and Antibacterial Therapy via Inducing Macrophage Polarization 齐墩果酸负载有机二氧化硅纳米颗粒通过诱导巨噬细胞极化协同抗炎和抗菌治疗
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-08 DOI: 10.1021/acsomega.6c07411
Xiaopeng Zhou, Huafu Wang, Shuanghu Wang, Wen Ji, Peiwu Geng, Lingna Li, Yueting Li

Chronic inflammatorydiseases caused by bacterial infectionsarenotoriously difficult to treat due to the formation of a vicious cyclein which bacterial infection and immune dysregulation mutually reinforceeach other at the lesion site. Current antibiotic therapies face thedual challenges of escalating drug resistance and insufficient immunomodulatorycapacity. Inspired by stimuli-responsive nanodrug delivery systems,we herein constructed a glutathione-responsive dendritic mesoporousorganosilica nanoparticles (DMOS NPs) loaded with oleanolic acid (OA),namely DMOS@OA NPs, aiming to achieve synergistic antibacterial andanti-inflammatory therapy. The DMOS@OA NPs exhibited a uniform hydrodynamicdiameter of approximately 232.1 ± 9.49 nm with typical dendriticspherical morphology, a drug loading capacity of 30.01%, and an encapsulationefficiency of 85.74%. In vitro release experiments demonstrated thatDMOS@OA NPs displayed significant pH-responsive release behavior,achieving a cumulative OA release of 58.98% under acidic conditions(pH 5.5). Furthermore, the DMOS@OA NPs could respond to high concentrationsof glutathione by cleaving tetrasulfide bonds to release therapeutichydrogen sulfide (H2S). Antibacterial assays revealed thatDMOS@OA NPs exhibited remarkable bactericidal activity against methicillin-resistant Staphylococcus aureus (MRSA), with superior efficacycompared to DMOS NPs and OA, and effectively inhibited bacterial biofilmformation with an inhibition rate of 85.78%. Scanning electron microscopyobservations further confirmed that the DMOS@OA NPs could disruptbacterial membrane integrity, leading to bacterial lysis and death.In vitro anti-inflammatory experiments demonstrated that DMOS@OA NPspossessed good biocompatibility and could significantly downregulatethe expression of the M1 macrophage marker CD86 while upregulatingthe M2 marker CD206, and reduced the secretion of pro-inflammatorycytokines IL-1β and TNF-α, effectively inducing macrophagepolarization from the pro-inflammatory phenotype to the anti-inflammatoryphenotype. In conclusion, we successfully constructed a GSH-responsiveDMOS@OA nanosystem with dual antibacterial and anti-inflammatory functions.Through the synergistic action of H2S and OA, this nanosystemachieves integrated efficient bactericidal activity and immunomicroenvironmentregulation, providing a highly promising novel nanotherapeutic strategyfor the treatment of chronic infectious inflammatory diseases.

众所周知,由细菌感染引起的慢性炎症疾病很难治疗,因为细菌感染和免疫失调在病变部位相互加强,形成了一个恶性循环。目前的抗生素治疗面临着耐药性升级和免疫调节能力不足的双重挑战。受刺激响应型纳米药物递送系统的启发,我们在此构建了谷胱甘肽响应型树突状介孔有机二氧化硅纳米颗粒(DMOS NPs),负载齐墩果酸(OA),即DMOS@OA NPs,旨在实现协同抗菌和抗炎治疗。DMOS@OA纳米粒子具有均匀的水动力直径,约为232.1±9.49 nm,具有典型的树枝状球形结构,载药量为30.01%,包封效率为85.74%。体外释放实验表明thatDMOS@OA NPs具有明显的pH响应释放行为,在酸性条件下(pH 5.5) OA的累积释放量为58.98%。此外,DMOS@OA NPs可以通过切断四硫键释放治疗性硫化氢(H2S)来响应高浓度的谷胱甘肽。抗菌实验显示thatDMOS@OA NPs对耐甲氧西林金黄色葡萄球菌(MRSA)具有显著的抑菌活性,抑菌效果优于DMOS NPs和OA,有效抑制细菌生物膜形成,抑菌率为85.78%。扫描电镜观察进一步证实DMOS@OA NPs可以破坏细菌膜的完整性,导致细菌裂解和死亡。体外抗炎实验表明,DMOS@OA npp4具有良好的生物相容性,可显著下调M1巨噬细胞标志物CD86的表达,上调M2标志物CD206的表达,减少促炎细胞因子IL-1β和TNF-α的分泌,有效诱导巨噬细胞由促炎表型向抗炎表型分化。综上所述,我们成功构建了具有抗菌和抗炎双重功能的GSH-responsiveDMOS@OA纳米体系。通过H2S和OA的协同作用,该纳米系统实现了高效杀菌活性和免疫微环境调节的一体化,为慢性感染性炎症疾病的治疗提供了一种极具前景的新型纳米治疗策略。
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引用次数: 0
ZIF-8 Nanoparticles: Zinc Ion Release, In Vitro Biocompatibility, and Evaluation in Galleria mellonella ZIF-8纳米颗粒:锌离子释放、体外生物相容性及在mellonella中的评价
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-08 DOI: 10.1021/acsomega.6c05060
Nariman Alipanah, Orhan Sisman, Hana Kaňková, Martina Vitázková, José J. Velázquez, Zuzana Neščáková

Metal–organic frameworks (MOFs), and ZeoliticImidazolateFramework-8 (ZIF-8) in particular, have found wide application inthe therapeutic field. Their structure, size, and porosity can betuned, and they can be synthesized using various methods. However,their biocompatibility and potential cytotoxicity remain insufficientlyinvestigated. In this study, ZIF-8 nanoparticles were synthesizedat room temperature using a rapid method with methanol as the solventand characterized in terms of their chemical composition, structuralproperties, ion release behavior, and biocompatibility. The Zn ionrelease profile of ZIF-8 particles into Tris-HCl buffer medium wasobtained through inductively coupled plasma optical emission spectroscopy(ICP-OES) under dynamic flow conditions, indicating a gradual andcontinuous release over 48 h. According to in vitro assays, MC3T3-E1 mouse preosteoblast cells maintained high viabilityat concentrations up to 100 μg·mL–1,while direct exposure of VH10 human fibroblast cells to 100 μg·mL–1 ZIF-8 reduced metabolic activity without significantmembrane damage. However, no evident toxicity was observed in theeluate-based assay at this concentration. The findings were supportedby the outcomes from the static ion release studies in DMEM cell culturemedium, where ICP-OES showed that the level of Zn cations was lowerthan 9.5 μg·mL–1 in 100 μg·mL–1 ZIF-8 samples. The DNA fragmentation assay also indicatedno detectable fragmentation at 100 μg·mL–1, suggesting the absence of apoptotic DNA damage in MC3T3-E1 cellsunder indirect exposure conditions. In addition, ZIF-8 was evaluated in vivo using the Galleria mellonella larval model, and samples up to 100 μg·mL–1 showed 100% survival and only minor reductions in health index score.The study underscores the importance of selecting appropriate methodsfor biocompatibility assessment, while also demonstrating the cytocompatibilityof the investigated ZIF-8 nanoparticles, which may be associated withthe relatively low measured Zn ion release.

金属有机框架(mof),特别是沸石咪唑框架-8 (ZIF-8)在治疗领域有着广泛的应用。它们的结构、大小和孔隙度可以相互调节,它们可以用各种方法合成。然而,它们的生物相容性和潜在的细胞毒性仍未得到充分的研究。本研究以甲醇为溶剂,在室温下快速合成了ZIF-8纳米颗粒,并对其化学组成、结构性质、离子释放行为和生物相容性进行了表征。在动态流动条件下,通过电感耦合等离子体发射光谱(ICP-OES)获得ZIF-8颗粒在Tris-HCl缓冲介质中的Zn离子释放谱图,表明ZIF-8颗粒在48 h内逐渐连续释放。MC3T3-E1小鼠成骨前细胞在高达100 μg·mL-1的浓度下保持较高的活力,而VH10人成纤维细胞直接暴露于100 μg·mL-1的ZIF-8中会降低代谢活性,但没有明显的膜损伤。然而,在该浓度的以洗脱液为基础的实验中,没有观察到明显的毒性。在DMEM细胞培养基中进行的静态离子释放研究结果也支持了这一发现,ICP-OES表明,在100 μg·mL-1的ZIF-8样品中,Zn阳离子水平低于9.5 μg·mL-1。DNA片段化实验也显示,在100 μg·mL-1浓度下,MC3T3-E1细胞没有检测到片段化,这表明在间接暴露条件下,MC3T3-E1细胞没有凋亡DNA损伤。此外,ZIF-8在体内进行了mellonella幼虫模型的评估,高达100 μg·mL-1的样品显示100%的存活率,仅轻微降低健康指数评分。该研究强调了选择合适的方法进行生物相容性评估的重要性,同时也证明了所研究的ZIF-8纳米颗粒的细胞相容性,这可能与相对较低的Zn离子释放有关。
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引用次数: 0
Direct Quantitation of Psilocybin and Psilocin by 1H and 31P qNMR in Wild Psilocybe from Greece 希腊野生裸盖菇中裸盖菇素和裸盖菇素的1H和31P qNMR直接定量
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-09 DOI: 10.1021/acsomega.5c13069
Evangelos Dadiotis, Romanos K. Antonopoulos, Antigoni Cheilari, Alexandra M. Kortsinoglou, Eleni Melliou, Vangelis Mitsis, Kostas Ioannidis, Babumon Thankappan, Rupika Delgoda, Zacharoula Gonou-Zagou, Prokopios Magiatis

The genus Psilocybe (Basidiomycota) comprisesover 300 mushroom-forming species, many of which produce the secondarymetabolite psilocybin, a prodrug of its dephosphorylated active metabolitepsilocin. Psilocybin has recently attracted significant interest,with numerous active, recruiting, and completed clinical trials registeredon ClinicalTrials.gov, primarily investigating its therapeutic potentialin central nervous system disorders. Nonetheless, psilocybin remainsa controlled substance in many jurisdictions, posing regulatory andlegal challenges, not only for clinical research but also for forensicanalysis, standardization, and quality control, since it is requiredas a reference material in chromatographic analyses. To this end,qNMR-based methods for rapid quantitation of psilocybin and psilocinwere developed using wild-origin Psilocybe fruitbodies,preserved in the Dried Specimen Collection of the Mycetotheca ATHUM(NKUA). A dephosphorylation step was employed to convert psilocybinto psilocin, followed by GC-MS analysis, confirming its presence inmycelium of the isolated strains. Both native and dephosphorylatedextracts were analyzed by 1H and 31P qNMR inD2O using calcium formate and dimethyl methylphosphonateas internal standards, respectively. To the best of our knowledge,this represents the first officially documented occurrence of a psychoactive Psilocybe species from Greece in the peer-reviewed scientificliterature as well as the application of reference-standard-free qNMRmethods for the quantitation of a psilocybin- and psilocin-containingfungus.

裸盖菇属(担子菌科)包括300多种蘑菇形成物种,其中许多产生次生代谢物裸盖菇素,这是其去磷酸化的活性代谢物裸盖菇素的前药。裸盖菇素最近引起了极大的兴趣,在ClinicalTrials.gov上注册了许多正在进行的、正在招募的和已经完成的临床试验,主要是研究它在中枢神经系统疾病中的治疗潜力。尽管如此,裸盖菇素在许多司法管辖区仍然是受控物质,这不仅对临床研究,而且对法医分析、标准化和质量控制提出了监管和法律挑战,因为它需要作为色谱分析的参考物质。为此,利用保存在Mycetotheca ATHUM(NKUA)的干燥标本收集中的野生裸盖菇子实体,开发了基于qnmr的快速定量裸盖菇素和裸盖菇素的方法。采用去磷酸化步骤将裸盖菇素转化为裸盖菇素,然后进行气相色谱-质谱分析,证实其存在于分离菌株的菌丝中。天然提取物和去磷酸化提取物分别以甲酸钙和甲基膦酸二甲酯为内标,采用1H和31P qNMR inD2O进行分析。据我们所知,这代表了在同行评审的科学文献中首次正式记录的来自希腊的精神活性裸盖菇物种,以及应用无参考标准的qnmr方法对含裸盖菇素和含裸盖菇素的真菌进行定量。
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引用次数: 0
Formation Mechanism and Semi-Quantitative Threshold Assessment of Metal-Induced Gel-like Agglomerate Blockages in Slickwater Fracturing Fluids 滑溜水压裂液中金属诱导凝胶状团块堵塞形成机理及半定量阈值评价
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-05 DOI: 10.1021/acsomega.6c07458
Junlin Wu, TianBo Liang, Tianhao Gu, Fangzhou Xu, Hao Bai, Shuchang Jia, FuJian Zhou, ErDong Yao

The reuse of flowbackwater in slickwater fracturing can introduceelevated concentrations of dissolved metal ions, intensifying theincompatibility between polyacrylamide-based friction reducers andmultivalent metal ions and promoting the formation of rubbery gel-likeagglomerates, commonly referred to as “gummy bears”.These agglomerates can adversely affect flowback, surface fluid handling,and well productivity. In this study, field sample characterizationand laboratory simulation are combined to investigate the compositionand formation mechanism of such gel-like agglomerates. The resultsshow that these materials are not simple polymer residues, but polymer–inorganiccomposites composed of polyacrylamide components, metal ions, andinorganic particles, with Fe3+ and Al3+ playinga particularly important role in their formation. Furthermore, a molar-ratio-basedsemiquantitative method is introduced to describe the relationshipbetween metal-ion loading and effective polymer reactive sites, andto predict the threshold for gel-like agglomeration. The results improvethe understanding of polymer–metal incompatibility under flowbackwater conditions and provide practical guidance for risk evaluation,fluid design, and mitigation of gummy-bear formation in field operations.

在滑溜水压裂中回用回排水会导致溶解金属离子浓度升高,加剧聚丙烯酰胺基减摩剂与多价金属离子之间的不相容性,并促进橡胶凝胶样团聚物的形成,通常被称为“小熊软糖”。这些团聚体会对返排、地面流体处理和油井产能产生不利影响。本研究将现场样品表征和实验室模拟相结合,研究这种凝胶状团聚体的组成和形成机制。结果表明,这些材料不是简单的聚合物残留物,而是由聚丙烯酰胺组分、金属离子和无机颗粒组成的聚合物-无机复合材料,其中Fe3+和Al3+在其形成过程中起着特别重要的作用。此外,引入了一种基于摩尔比的半定量方法来描述金属离子负载与有效聚合物反应位点之间的关系,并预测了凝胶状团聚的阈值。研究结果提高了人们对回排水条件下聚合物-金属不相容性的认识,并为现场作业中的风险评估、流体设计和降低粘熊地层的风险提供了实用指导。
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引用次数: 0
Upper Flammability Limits of Methane/Air Mixtures at Elevated Temperature and Pressure 甲烷/空气混合物在高温高压下的可燃性上限
IF 5.2 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-20 Epub Date: 2026-10-10 DOI: 10.1021/acsomega.6c03983
Yue Wang, Jinfeng Mao, Afang Gu, Chang Yuan, Chang Qi

Methane/air mixturesin preheated and pressurized processequipmentmay exhibit a broadened flammability envelope, which is critical forexplosion-hazard assessment and safety-envelope definition. Reliableupper flammability limit (UFL) data under elevated-temperature andelevated-pressure conditions are therefore needed for methane-relatedindustrial systems. In this work, the UFLs of methane/air mixtureswere measured in a 20 L closed spherical vessel at initial temperaturesof 25–100 °C and pressures of 0.1–1.0 MPa in accordancewith EN 17624:2022 and GB/T 42368–2023. Within the investigatedrange, the UFL increases approximately linearly with temperature andlogarithmically with pressure. Under simultaneous temperature andpressure elevation, the increase in UFL is greater than that estimatedfrom the simple superposition of their individual effects, indicatinga non-negligible interaction between the two parameters. Based onthe full experimental matrix, an empirical correlation incorporatinga temperature–pressure interaction term is proposed to representthe UFL surface and shows good agreement with the experimental data.Chemical-kinetic simulations using USC Mech II were performed to assistinterpretation of the experimental trends. The normalized sensitivityanalysis identifies temperature-promoted branching pathways and pressure-enhancedradical stabilization/recombination pathways as the principal competingkinetic tendencies near the UFL. The present work provides a protocol-compliantmethane/air UFL data set and a practical correlation for preheatedand pressurized methane systems.

甲烷/空气混合物在预热和加压工艺设备中可能会表现出扩大的可燃性包线,这对于爆炸危险评估和安全包线定义至关重要。因此,与甲烷相关的工业系统需要在高温高压条件下可靠的可燃性上限(UFL)数据。在这项工作中,根据EN 17624:2022和GB/T 42368-2023,在20 L密闭球形容器中测量甲烷/空气混合物的ufl,初始温度为25-100℃,压力为0.1-1.0 MPa。在研究范围内,UFL随温度近似线性增加,随压力呈对数增长。在温度和压力同时升高的情况下,UFL的增加大于它们各自影响的简单叠加,表明这两个参数之间存在不可忽略的相互作用。在完整实验矩阵的基础上,提出了一个包含温度-压力相互作用项的经验关联来表示UFL表面,与实验数据吻合较好。利用USC Mech II进行了化学动力学模拟,以帮助解释实验趋势。归一化敏感性分析确定了温度促进的分支途径和压力增强的自由基稳定/重组途径是UFL附近主要的竞争动力学趋势。本工作提供了一个符合协议的甲烷/空气UFL数据集,以及预热和加压甲烷系统的实际相关性。
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