ethanol

乙醇
  • 文章类型: Journal Article
    未来几年,用于生物能源生产的甘蔗秸秆去除将大幅增加,但这可能会消耗土壤有机碳(SOC)并加剧温室气体(GHG)排放。在生物能源生命周期评估(LCA)中,这些方面并不一致。使用SOC建模和LCA方法,这项研究探讨了不同秸秆去除方案下甘蔗农业产业的生命周期温室气体平衡,考虑到巴西甘蔗种植土壤中与秸秆管理相关的潜在SOC变化。长期模拟显示,完全清除秸秆后,SOC损失高达-0.5Mgha-1yr-1,而适度去除对SOC的影响很小,在田间维持所有秸秆可使SOC积累增加0.4Mgha-1yr-1。我们的分析表明,考虑LCA计算中的SOC变化可能会降低秸秆衍生生物能源的温室气体净收益,其排放强度根据土壤类型而变化。总的来说,与不考虑SOC变化的情况相比,完全清除秸秆引起的SOC消耗使秸秆衍生生物能源的生命周期温室气体排放量增加了26%(3.9gCO2eqMJ-1)。秸秆去除纤维素乙醇可以有效减少温室气体相对于汽油的排放,但是这对生物发电来说并不有利,这取决于被取代的能源。因此,秸秆引起的SOC存量变化是模拟秸秆衍生生物能源生命周期温室气体排放的关键因素。
    Sugarcane straw removal for bioenergy production will increase substantially in the next years, but this may deplete soil organic carbon (SOC) and exacerbate greenhouse gas (GHG) emissions. These aspects are not consistently approached in bioenergy life cycle assessment (LCA). Using SOC modeling and LCA approach, this study addressed the life cycle GHG balance from sugarcane agroindustry in different scenarios of straw removal, considering the potential SOC changes associated with straw management in sugarcane-cultivated soils in Brazil. Long-term simulations showed SOC losses of up to -0.5 Mg ha-1 yr-1 upon complete straw removal, whereas the moderate removal had little effects on SOC and the maintenance of all straw in the field increased SOC accumulation by up to 0.4 Mg ha-1 yr-1. Our analysis suggests that accounting for SOC changes in LCA calculations could lower the net GHG benefits of straw-derived bioenergy, whose emissions intensity varied according to soil type. Overall, SOC depletion induced by complete straw removal increased the life cycle GHG emissions of straw-derived bioenergy by 26 % (3.9 g CO2eq MJ-1) compared to a scenario without taking SOC changes into account. Straw removal for cellulosic ethanol could be effective for mitigating GHG emissions relative to gasoline, but it was not advantageous for bioelectricity generation depending on the energy sources that are displaced. Therefore, straw-induced change of SOC stocks is a critical factor to model life cycle GHG emissions of straw-derived bioenergy.
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  • 文章类型: Journal Article
    乙醇对胎儿的影响是一个重要的问题,因为估计有2-5%的活产婴儿可能受到产前酒精暴露的影响。这种暴露会导致大脑皮层的各种功能和结构异常,基底神经节,间脑,还有小脑,导致特定区域的症状。这些缺陷与运动和认知领域有关,影响,特别是,一般智力,注意,执行功能,语言,记忆,视觉感知,和社交技能-统称为胎儿酒精谱系障碍(FASD)。最近的研究表明,对发育中的小脑的损害(以酒精暴露的形式)会损害小脑-丘脑-皮质道的皮质靶标。小脑循环优化中的这种故障可能是由于发育中的小脑内内部模型的基本元素的形成中断所致。酒精暴露针对小脑和大脑皮层之间的相互循环中的多个节点。这里,我们研究了产前酒精暴露损害发育中的小脑并破坏小脑神经元回路内的连通性的可能性,加剧FASD相关的皮质功能障碍。我们认为小脑内部模型(严重参与预测)和大脑区域之间的故障会导致FASD中观察到的缺陷。考虑到小脑在运动中的主要作用,认知,和情感功能,我们建议治疗应针对这些功能障碍,以减轻FASD的负担.我们讨论了针对小脑-脑环路(TOMCCLs)功能障碍的疗法的概念,强调抗炎策略和治疗旨在调节小脑髓鞘形成,以恢复最佳和预测性的小脑功能。
    The impact of ethanol on the fetus is a significant concern as an estimated 2-5% of live births may be affected by prenatal alcohol exposure. This exposure can lead to various functional and structural abnormalities in the cerebral cortex, basal ganglia, diencephalon, and cerebellum, resulting in region-specific symptoms. The deficits relate to the motor and cognitive domains, affecting, in particular, general intelligence, attention, executive functions, language, memory, visual perception, and social skills-collectively called the fetal alcohol spectrum disorder (FASD). Recent studies suggest that damage to the developing cerebellum (in form of alcohol exposure) can impair the cortical targets of the cerebello-thalamo-cortical tract. This malfunction in the cerebello-cerebral loop optimization may be due to disruptions in the formation of the foundational elements of the internal model within the developing cerebellum. Alcohol exposure targets multiple nodes in the reciprocal loops between the cerebellum and cerebral cortex. Here, we examine the possibility that prenatal alcohol exposure damages the developing cerebellum and disrupts the connectivity within the cerebello-cerebral neuronal circuits, exacerbating FASD-related cortical dysfunctions. We propose that malfunctions between cerebellar internal model (critically involved in predictions) and cerebral regions contribute to the deficits observed in FASD. Given the major role of the cerebellum in motor, cognitive, and affective functions, we suggest that therapies should target these malfunctions to mitigate the burden of FASD. We discuss the concept of therapies oriented towards malfunctioning cerebello-cerebral loops (TOMCCLs), emphasizing anti-inflammatory strategies and treatments aimed at modulating cerebellar myelination to restore optimal and predictive cerebello-cerebral functions.
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  • 文章类型: Journal Article
    这项工作探讨了ZIF-8,一种金属有机框架(MOF)材料的使用,用于Fabry-Pérot和基于表面等离子体共振(SPR)的传感器中挥发性有机化合物(VOC)的光学检测。实验是用乙醇(EtOH)进行的,在VOC饱和的气氛下,响应时间低至30s,两种传感器类型的估计检测极限均低于4000ppm。对其他挥发性有机化合物的选择性相对较差,尽管每种VOC的吸附/解吸动力学不同,并且可用于选择性目的。此外,ZIF-8的疏水性已得到证实,制造的传感器对该化合物不敏感,这是一个非常有吸引力的结果,它的实际应用在气体传感设备。
    This work explores the use of ZIF-8, a metal-organic framework (MOF) material, for its use in the optical detection of volatile organic compounds (VOCs) in Fabry-Pérot and surface plasmon resonance (SPR)-based sensors. The experiments have been carried out with ethanol (EtOH) and show response times as low as 30 s under VOC-saturated atmospheres, and the estimated limit of detection is below 4000 ppm for both sensor types. The selectivity towards other VOCs is relatively poor, although the dynamics of adsorption/desorption differ for each VOC and could be used for selectivity purposes. Furthermore, the hydrophobicity of ZIF-8 has been confirmed and the fabricated sensors are insensitive to this compound, which is a very attractive result for its practical use in gas sensing devices.
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  • 文章类型: Journal Article
    可穿戴酒精监测设备要求非侵入性,血液酒精含量(BAC)的实时测量可靠和连续。一些商业设备可用于通过检测经皮扩散的酒精来无创地确定BAC。然而,由于人体皮肤经皮酒精扩散的复杂情况和许多因素(例如,蒙皮厚度,酒精动力学,体重,年龄,性别,代谢率,等。).在这项工作中,一个经皮酒精扩散模型已经从实时捕获的数据从人类手腕开发,以更好地了解从血液扩散到不同的皮肤表皮层的酒精动力学。这样的模型将是在较大的研究中确定基础计算模型的足迹。八名匿名志愿者参与了这项试点研究。实验室构建的可穿戴血液酒精含量(BAC)监测设备收集了所有数据以开发此扩散模型。质子交换膜燃料电池(PEMFC)传感器与nRF51822微控制器集成,LMP91000小型化恒电位仪,2.4GHz收发器,支持蓝牙低功耗(BLE),和所有必要的电子元件来构建这个可穿戴BAC监测设备。使用此设备从这些志愿者的手腕收集实时的%BAC数据,并存储在终端设备中(例如,智能手机)。从捕获的数据中,通过比较初始阶段(=10分钟)和后期(=100分钟)的酒精浓度,我们证明了皮肤上的挥发性酒精浓度如何随时间变化。我们还将实验结果与三种不同输入曲线的输出进行比较:分段线性,指数线性,和Hoerl,优化开发的扩散模型。我们的结果表明,与分段线性和Hoerl函数相比,指数线性函数最适合实验数据。此外,我们研究了皮肤表皮厚度在±20%以内的影响,并证明与较厚的皮肤相比,该厚度减少20%会导致更快的动力学。该模型清楚地显示了皮肤表皮层内的扩散前沿如何随时间变化。我们进一步验证了60分钟大致是达到最大浓度的时间,Cmax,从瞬时分析的角质层。最后,我们发现,BACmax和Cmax之间存在更显著的时间差是由于在固定的吸收时间内饮酒量增加.
    Wearable alcohol monitoring devices demand noninvasive, real-time measurement of blood alcohol content (BAC) reliably and continuously. A few commercial devices are available to determine BAC noninvasively by detecting transcutaneous diffused alcohol. However, they suffer from a lack of accuracy and reliability in the determination of BAC in real time due to the complex scenario of the human skin for transcutaneous alcohol diffusion and numerous factors (e.g., skin thickness, kinetics of alcohol, body weight, age, sex, metabolism rate, etc.). In this work, a transcutaneous alcohol diffusion model has been developed from real-time captured data from human wrists to better understand the kinetics of diffused alcohol from blood to different skin epidermis layers. Such a model will be a footprint to determine a base computational model in larger studies. Eight anonymous volunteers participated in this pilot study. A laboratory-built wearable blood alcohol content (BAC) monitoring device collected all the data to develop this diffusion model. The proton exchange membrane fuel cell (PEMFC) sensor was fabricated and integrated with an nRF51822 microcontroller, LMP91000 miniaturized potentiostat, 2.4 GHz transceiver supporting Bluetooth low energy (BLE), and all the necessary electronic components to build this wearable BAC monitoring device. The %BAC data in real time were collected using this device from these volunteers\' wrists and stored in the end device (e.g., smartphone). From the captured data, we demonstrate how the volatile alcohol concentration on the skin varies over time by comparing the alcohol concentration in the initial stage (= 10 min) and later time (= 100 min). We also compare the experimental results with the outputs of three different input profiles: piecewise linear, exponential linear, and Hoerl, to optimize the developed diffusion model. Our results demonstrate that the exponential linear function best fits the experimental data compared to the piecewise linear and Hoerl functions. Moreover, we have studied the impact of skin epidermis thickness within ±20% and demonstrate that a 20% decrease in this thickness results in faster dynamics compared to thicker skin. The model clearly shows how the diffusion front changes within a skin epidermis layer with time. We further verified that 60 min was roughly the time to reach the maximum concentration, Cmax, in the stratum corneum from the transient analysis. Lastly, we found that a more significant time difference between BACmax and Cmax was due to greater alcohol consumption for a fixed absorption time.
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  • 文章类型: Journal Article
    Madhucalongifolia是一种分布在印度的常绿乔木,尼泊尔,和斯里兰卡。这种树通常被称为麻花,用于传统医学。已证明,来自M.longifolia树皮的乙醇提取物对两种黑色素瘤细胞系具有有效的细胞毒性活性,与没有活性的水提取物相反。除了对癌细胞有选择性的细胞毒性(对非癌性成纤维细胞没有活性),所研究的提取物诱导细胞凋亡和增加黑色素瘤细胞中活性氧的产生。此外,提取物与达卡巴嗪(均为无毒浓度)一起使用可增强其抗癌活性。此外,用长叶分枝杆菌提取物预处理黑素瘤细胞可在更大程度上增强低剂量达卡巴嗪的活性。结论:长叶分枝杆菌的乙醇提取物对人黑色素瘤细胞对化疗药物敏感。因此,作为用于预期联合治疗的化合物的有希望的来源,它是令人感兴趣的。
    Madhuca longifolia is an evergreen tree distributed in India, Nepal, and Sri Lanka. This tree is commonly known as Mahua and is used in traditional medicine. It was demonstrated that ethanol extract from the bark of M. longifolia possessed potent cytotoxic activity towards two melanoma cell lines, in contrast to aqueous extract that exhibited no activity. Apart from being selectively cytotoxic to cancer cells (with no activity towards non-cancerous fibroblasts), the studied extract induced apoptosis and increased reactive oxygen species generation in melanoma cells. Additionally, the use of the extract together with dacarbazine (both in non-toxic concentrations) resulted in the enhancement of their anticancer activity. Moreover, the pretreatment of melanoma cells with M. longifolia extract potentiated the activity of a low dose of dacarbazine to an even higher extent. It was concluded that ethanol extract of M. longifolia sensitized human melanoma cells to chemotherapeutic drugs. It can therefore be interesting as a promising source of compounds for prospective combination therapy.
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  • 文章类型: Journal Article
    产前酒精暴露(PAE)的患病率正在增加,有证据表明PAE与感染风险增加有关。PAE被认为会影响先天免疫系统,通过模式识别受体识别病原体,其中Toll样受体(TLRs)是关键成分。我们假设轻度至中度PAE会损害免疫反应,如通过TLR刺激后细胞因子水平的增强反应所测量的。来自乙醇子集的脐带样本(10个对照和8个PAE),神经发育,纳入婴儿和儿童健康研究-2队列。用一种激动剂(TLR2、TLR3、TLR4或TLR9)刺激外周血单核细胞(PMBCs)。TLR2激动剂刺激在24小时后显著增加PAE组中的促炎性白介素-1-β。在用TLR2激动剂刺激后,促炎性和抗炎细胞因子增加。用TLR3或TLR9激动剂刺激显示总体影响最小,但24小时后与PAE相比,对照组的变化百分比显着增加。这项初步研究的结果支持进一步研究PAE后对TLR2和TLR4反应的影响,以确定促炎和抗炎细胞因子水平的变化是否具有可用于患者管理和/或关注随访的临床意义。
    The prevalence of prenatal alcohol exposure (PAE) is increasing, with evidence suggesting that PAE is linked to an increased risk of infections. PAE is hypothesized to affect the innate immune system, which identifies pathogens through pattern recognition receptors, of which toll-like receptors (TLRs) are key components. We hypothesized that light-to-moderate PAE would impair immune responses, as measured by a heightened response in cytokine levels following TLR stimulation. Umbilical cord samples (10 controls and 8 PAE) from a subset of the Ethanol, Neurodevelopment, Infant and Child Health Study-2 cohort were included. Peripheral blood mononuclear cells (PMBCs) were stimulated with one agonist (TLR2, TLR3, TLR4, or TLR9). TLR2 agonist stimulation significantly increased pro-inflammatory interleukin-1-beta in the PAE group after 24 h. Pro- and anti-inflammatory cytokines were increased following stimulation with the TLR2 agonists. Stimulation with TLR3 or TLR9 agonists displayed minimal impact overall, but there were significant increases in the percent change of the control compared to PAE after 24 h. The results of this pilot investigation support further work into the impact on TLR2 and TLR4 response following PAE to delineate if alterations in levels of pro- and anti-inflammatory cytokines have clinical significance that could be used in patient management and/or attention to follow-up.
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  • 文章类型: Journal Article
    酒精耐受性是一种神经适应性反应,可减少先前暴露引起的酒精影响。耐受性在酒精使用障碍(AUD)的发展中起着至关重要的作用,因为它导致饮酒和依赖的升级。因此,了解酒精耐受性的分子机制对于开发有效的治疗方法和总体上了解成瘾非常重要。这篇综述探讨了无脊椎动物模型中酒精耐受性的分子基础,果蝇和秀丽隐杆线虫,专注于突触传递。两种生物都表现出对乙醇的双相反应,并产生与哺乳动物相似的耐受性。此外,几种遗传工具的可用性使它们成为研究乙醇反应分子基础的绝佳候选者。无脊椎动物模型的研究表明,耐受性涉及神经递质系统的保守变化,离子通道,和突触蛋白。这些神经适应性变化导致神经元兴奋性的变化,最有可能补偿乙醇增强的抑制作用。
    Alcohol tolerance is a neuroadaptive response that leads to a reduction in the effects of alcohol caused by previous exposure. Tolerance plays a critical role in the development of alcohol use disorder (AUD) because it leads to the escalation of drinking and dependence. Understanding the molecular mechanisms underlying alcohol tolerance is therefore important for the development of effective therapeutics and for understanding addiction in general. This review explores the molecular basis of alcohol tolerance in invertebrate models, Drosophila and C. elegans, focusing on synaptic transmission. Both organisms exhibit biphasic responses to ethanol and develop tolerance similar to that of mammals. Furthermore, the availability of several genetic tools makes them a great candidate to study the molecular basis of ethanol response. Studies in invertebrate models show that tolerance involves conserved changes in the neurotransmitter systems, ion channels, and synaptic proteins. These neuroadaptive changes lead to a change in neuronal excitability, most likely to compensate for the enhanced inhibition by ethanol.
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  • 文章类型: Journal Article
    过量饮酒导致胃肠道疾病的流行。缓解归因于酒精引起的粘液层变薄的胃病已经集中于增强粘蛋白分泌作为关键方法。在这项研究中,采用分子截留技术将谷草谷糠多酚BPIS分为MW<200D和MW>200D两个组分。结合MTT,细胞形态学观察,和锥虫蓝染色,MW<200D部分内的异阿魏酸(IFA)被确定为减轻乙醇诱导的胃上皮细胞损伤的有效成分。此外,建立了与酒精引起的胃粘膜损伤具有相似临床特征的Wistar大鼠模型。然后,胃形态学观察,H&E染色,并评估胃己糖胺含量和胃壁结合粘液水平的变化,结果表明,IFA(10mg/Kg)显着改善了酒精引起的胃粘膜损伤。最后,我们应用了包括Co-IP在内的技术,分子对接,和荧光光谱,发现IFA通过与胃上皮细胞中的GALNT2直接相互作用,抑制酒精诱导的与粘液合成相关的N-乙酰氨基半乳糖转移酶2(GALNT2)活性下调,从而促进粘蛋白合成。我们的研究为针对酒精性胃粘膜损伤患者的全谷物饮食干预奠定了基础。
    Excessive alcohol consumption has led to the prevalence of gastrointestinal ailments. Alleviating gastric disorders attributed to alcohol-induced thinning of the mucus layer has centered on enhancing mucin secretion as a pivotal approach. In this study, foxtail millet bran polyphenol BPIS was divided into two components with MW < 200 D and MW > 200 D by molecular interception technology. Combined with MTT, cell morphology observation, and trypan blue staining, isoferulic acid (IFA) within the MW < 200 D fraction was determined as the effective constituent to mitigate ethanol-induced damage of gastric epithelial cells. Furthermore, a Wistar rat model with similar clinical features to alcohol-induced gastric mucosal injury was established. Then, gastric morphological observation, H&E staining, and assessments of changes in gastric hexosamine content and gastric wall binding mucus levels were carried out, and the results revealed that IFA (10 mg/Kg) significantly ameliorated alcohol-induced gastric mucosal damage. Finally, we applied techniques including Co-IP, molecular docking, and fluorescence spectroscopy and found that IFA inhibited the alcohol-induced downregulation of N-acetylgalactosamintransferase 2 (GALNT2) activity related to mucus synthesis through direct interaction with GALNT2 in gastric epithelial cells, thus promoting mucin synthesis. Our study lays a foundation for whole grain dietary intervention tailored to individuals suffering from alcoholic gastric mucosal injury.
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  • 文章类型: Journal Article
    酒精性肝损害是由长期或大量饮酒引起的,它可能进一步发展为酒精性肝病(ALD)。益生菌补充剂已被建议用于预防或改善肝损伤。本研究旨在考虑从婴儿粪便中分离的鼠李糖乳杆菌NKUFL1-8对酒精性肝损伤的改善作用。用50%的乙醇溶液给小鼠灌胃,并用109CFU的鼠李糖乳杆菌NKUFL1-8悬浮液处理。肝功能的因素,氧化应激,炎症,肠道菌群组成,和肠屏障完整性进行测量。结果表明,与灌胃乙醇相比,鼠李糖乳杆菌NKUFL1-8可将天冬氨酸转氨酶(AST)水平降低至61%,丙氨酸转氨酶(ALT)水平降低至50%。能抑制丙二醛(MDA)的表达,增加超氧化物歧化酶(SOD),谷胱甘肽(GSH)缓解氧化应激,并下调细胞因子以减少肝脏炎症。治疗后,甘油三酯的水平降低了,5磷酸腺苷(AMP)激活蛋白激酶(AMPK)和过氧化物酶体增殖物激活受体-α(PPAR-α)途径的表达水平上调。此外,16SrRNA测序分析表明,鼠李糖乳杆菌NKUFL1-8增加了乳杆菌的相对丰度,Ruminocycaceae,等。同时,鼠李糖乳杆菌NKUFL1-8能显著减少脂多糖(LPS)和增强肠紧密连接蛋白。这些结果表明鼠李糖乳杆菌NKUFL1-8可以降低氧化应激水平,脂肪堆积,和宿主体内酒精引起的肝脏炎症。潜在的机制可能是鼠李糖乳杆菌通过调节肠道菌群和修复肠道屏障来抑制LPS。因此,这些发现支持鼠李糖乳杆菌NKUFL1-8作为缓解ALD的潜在功能性食物。
    Alcoholic liver damage is caused by long-term or heavy drinking, and it may further progress into alcoholic liver diseases (ALD). Probiotic supplements have been suggested for the prevention or improvement of liver damage. This study was designed to consider the ameliorative effects of Lactobacillus rhamnosus NKU FL1-8 isolated from infant feces against alcoholic liver damage. The mice were gavaged with a 50% ethanol solution and treated with 109 CFU of L. rhamnosus NKU FL1-8 suspension. The factors for liver function, oxidative stress, inflammation, gut microbiota composition, and intestinal barrier integrity were measured. The results showed that L. rhamnosus NKU FL1-8 could decrease the levels of aspartate aminotransferase (AST) to 61% and alanine aminotransferase (ALT) to 50% compared with ethanol given by gavage. It could inhibit the expression level of malondialdehyde (MDA), increase superoxide dismutase (SOD), glutathione (GSH) to relieve oxidative stress, and down-regulate the cytokines to decrease hepatic inflammation. After treatment, the level of triglycerides was reduced, and the expression levels of adenosine 5\'-monophosphate (AMP)-activated protein kinase (AMPK) and the peroxisome proliferators-activated receptor-α (PPAR-α) pathway were up-regulated. Additionally, the 16S rRNA sequencing analysis showed that L. rhamnosus NKU FL1-8 increased the relative abundance of Lactobacillus, Ruminococcaceae, etc. At the same time, L. rhamnosus NKU FL1-8 could significantly reduce lipopolysaccharides (LPS) and enhance intestinal tight junction proteins. These results demonstrated that L. rhamnosus NKU FL1-8 could reduce the level of oxidative stress, fat accumulation, and liver inflammation caused by alcohol in the host. The underlying mechanism could be that L. rhamnosus NKU FL1-8 inhibits LPS by regulating the gut microbiota and repairing the intestinal barrier. Thereby, these findings support L. rhamnosus NKU FL1-8 as a potential functional food for the relief of ALD.
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  • 文章类型: Journal Article
    研究了溶剂对阳离子染料从溶液中吸附到质子化八面沸石(FAU-Y)上的效率的影响,以支持在废水处理或制备光学器件的结构单元中的潜在应用。实验确定了水和乙醇中单组分溶液中亚甲蓝(MB)和金胺O(AO)的吸附等温线。对每个吸附系统的极限染料吸收(饱和容量)进行评估,按MB-水>AO-水>AO-乙醇>MB-乙醇的顺序降低。吸附的染料种类的相互距离和方向,以及它们与FAU-Y框架的氧位点的相互作用,溶剂分子,并从蒙特卡洛模拟中推断出来,随后用于合理化观察到的饱和容量差异。染料-溶剂竞争和染料形成紧密的pi堆叠二聚体的倾向被证明在整个多孔空间中建立吸附物种的不均匀分布中起着重要作用。在MB-水系统的情况下,这两种效应显得特别强。强调了在建模研究中包括溶剂效应的必要性。
    The impact of solvents on the efficiency of cationic dye adsorption from a solution onto protonated Faujasite-type zeolite (FAU-Y) was investigated in the prospect of supporting potential applications in wastewater treatment or in the preparation of building blocks for optical devices. The adsorption isotherms were experimentally determined for methylene blue (MB) and auramine O (AO) from single-component solutions in water and in ethanol. The limiting dye uptake (saturation capacity) was evaluated for each adsorption system, and it decreased in the order of MB-water > AO-water > AO-ethanol > MB-ethanol. The mutual distances and orientations of the adsorbed dye species, and their interactions with the oxygen sites of the FAU-Y framework, with the solvent molecules, and among themselves were inferred from Monte Carlo simulations and subsequently utilized to rationalize the observed differences in the saturation capacity. The dye-solvent competition and the propensity of the dyes to form compact pi-stacked dimers were shown to play an important role in establishing a non-uniform distribution of the adsorbed species throughout the porous space. The two effects appeared particularly strong in the case of the MB-water system. The necessity of including solvent effects in modeling studies is emphasized.
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