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Total variation denoising-based method of identifying the states of single molecules in break junction data. 基于总变异去噪的断裂结数据单分子状态识别方法。
0 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-29 DOI: 10.1186/s11671-024-03963-4
Yuki Komoto, Jiho Ryu, Masateru Taniguchi

Break junction (BJ) measurements provide insights into the electrical properties of diverse molecules, enabling the direct assessment of single-molecule conductances. The BJ method displays potential for use in determining the dynamics of individual molecules, single-molecule chemical reactions, and biomolecules, such as deoxyribonucleic acid and ribonucleic acid. However, conductance data obtained via single-molecule measurements may be susceptible to fluctuations due to minute structural changes within the junctions. Consequently, clearly identifying the conduction states of these molecules is challenging. This study aims to develop a method of precisely identifying conduction state traces. We propose a novel single-molecule analysis approach that employs total variation denoising (TVD) in signal processing, focusing on the integration of information technology with measured single-molecule data. We successfully applied this method to simulated conductance traces, effectively denoise the data, and elucidate multiple conduction states. The proposed method facilitates the identification of well-defined plateau lengths and supervised machine learning with enhanced accuracies. The introduced TVD-based analytical method is effective in elucidating the states within the measured single-molecule data. This approach exhibits the potential to offer novel perspectives regarding the formation of molecular junctions, conformational changes, and cleavage.

断裂交界(BJ)测量可深入了解各种分子的电特性,从而对单分子电导进行直接评估。BJ 方法在确定单个分子、单分子化学反应和生物大分子(如脱氧核糖核酸和核糖核酸)的动态方面具有潜力。不过,通过单分子测量获得的电导数据可能容易受到连接点内部微小结构变化引起的波动的影响。因此,要清楚地识别这些分子的传导状态具有挑战性。本研究旨在开发一种精确识别传导状态轨迹的方法。我们提出了一种新颖的单分子分析方法,在信号处理中采用了总变异去噪(TVD)技术,重点是将信息技术与测得的单分子数据相结合。我们成功地将这种方法应用于模拟传导迹线,有效地对数据进行了去噪处理,并阐明了多种传导状态。所提出的方法有助于识别定义明确的高原长度和监督机器学习,并提高了准确性。引入的基于 TVD 的分析方法能有效地阐明单分子测量数据中的状态。这种方法有望为分子连接的形成、构象变化和裂解提供新的视角。
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引用次数: 0
Bandwidth tunability of graphene absorption enhancement by hybridization of delocalized surface plasmon polaritons and localized magnetic plasmons. 通过非局部表面等离子体极化子和局部磁性等离子体的杂化实现石墨烯吸收增强的带宽可调性。
0 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-25 DOI: 10.1186/s11671-024-03961-6
Yifan Wu, Qingmiao Nie, Chaojun Tang, Bo Yan, Fanxin Liu, Mingwei Zhu

The bandwidth-tunable absorption enhancement of monolayer graphene is theoretically studied in the near-infrared wavelengths. The monolayer graphene is placed on the silver substrate surface with a periodic array of one-dimensional slits. Two absorption peaks are found to result from the hybridization of delocalized surface plasmon polaritons and localized magnetic plasmons. The positions of absorption peaks are accurately predicted by a coupling model of double oscillators. The full width at half maximum of absorption peaks is largely tuned from about 1-200 nm by changing the array period of slits. The effect of the slit size on absorption peaks is also investigated in detail. Our work is promising in applications for photoelectric devices.

本文从理论上研究了单层石墨烯在近红外波段的带宽可调吸收增强。单层石墨烯被放置在银基底表面,基底上有周期性的一维狭缝阵列。研究发现,两个吸收峰是由非局域化表面等离子体极化子和局域化磁等离子体杂化产生的。双振子耦合模型准确地预测了吸收峰的位置。通过改变狭缝的阵列周期,吸收峰的半最大全宽可在大约 1-200 nm 的范围内进行调整。我们还详细研究了狭缝尺寸对吸收峰的影响。我们的研究成果有望应用于光电设备。
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引用次数: 0
Au nanodyes as enhanced contrast agents in wide field near infrared fluorescence lifetime imaging. 纳米金作为宽场近红外荧光寿命成像中的增强型造影剂。
0 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-25 DOI: 10.1186/s11671-024-03958-1
Neelima Chacko, Menachem Motiei, Jadhav Suchita Suryakant, Michael Firer, Rinat Ankri

The near-infrared (NIR) range of the electromagnetic (EM) spectrum offers a nearly transparent window for imaging tissue. Despite the significant potential of NIR fluorescence-based imaging, its establishment in basic research and clinical applications remains limited due to the scarcity of fluorescent molecules with absorption and emission properties in the NIR region, especially those suitable for biological applications. In this study, we present a novel approach by combining the widely used IRdye 800NHS fluorophore with gold nanospheres (GNSs) and gold nanorods (GNRs) to create Au nanodyes, with improved quantum yield (QY) and distinct lifetimes. These nanodyes exhibit varying photophysical properties due to the differences in the separation distance between the dye and the gold nanoparticles (GNP). Leveraging a rapid and highly sensitive wide-field fluorescence lifetime imaging (FLI) macroscopic set up, along with phasor based analysis, we introduce multiplexing capabilities for the Au nanodyes. Our approach showcases the ability to differentiate between NIR dyes with very similar, short lifetimes within a single image, using the combination of Au nanodyes and wide-field FLI. Furthermore, we demonstrate the uptake of Au nanodyes by mineral-oil induced plasmacytomas (MOPC315.bm) cells, indicating their potential for in vitro and in vivo applications.

电磁波谱的近红外(NIR)范围为组织成像提供了一个近乎透明的窗口。尽管基于近红外荧光的成像技术潜力巨大,但由于近红外区域具有吸收和发射特性的荧光分子稀缺,尤其是那些适合生物应用的荧光分子稀缺,其在基础研究和临床应用中的发展仍然受到限制。在本研究中,我们提出了一种新方法,将广泛使用的 IRdye 800NHS 荧光分子与金纳米球(GNSs)和金纳米棒(GNRs)相结合,制造出具有更高的量子产率(QY)和独特寿命的金纳米体。由于染料与金纳米颗粒(GNP)之间的分离距离不同,这些纳米体表现出不同的光物理特性。利用快速、高灵敏度的宽场荧光寿命成像(FLI)宏观设置,以及基于相位的分析,我们引入了金纳米体的复用功能。我们的方法展示了利用金纳米抗体和宽场荧光寿命成像的组合,在单幅图像中区分具有非常相似的短寿命的近红外染料的能力。此外,我们还展示了矿物油诱导的浆细胞瘤(MOPC315.bm)细胞对金纳米体的吸收,这表明金纳米体具有体外和体内应用的潜力。
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引用次数: 0
I-GLAD: a new strategy for fabricating antibacterial surfaces. I-GLAD:制造抗菌表面的新策略。
0 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-25 DOI: 10.1186/s11671-024-03959-0
Chuang Qu, Jesse Rozsa, Mark Running, Shamus McNamara, Kevin Walsh

The paper uses inverted glancing angle deposition (I-GLAD) for creating antibacterial surfaces. Antibacterial surfaces are found in nature, such as on insect wings, eyes, and plant leaves. Since the bactericidal mechanism is purely physical for these surfaces, the antimicrobial resistance of bacteria to traditional chemical antibiotics can be overcome. The technical problem is how to mimic, synthesize, and scale up the naturally occurring antibacterial surfaces for practical applications, given the fact that most of those surfaces are composed of three-dimensional hierarchical micro-nano structures. This paper proposes to use I-GLAD as a novel bottom-up nanofabrication technique to scale up bio-inspired nano-structured antibacterial surfaces. Our innovative I-GLAD nanofabrication technique includes traditional GLAD deposition processes alongside the crucial inverting process. Following fabrication, we explore the antibacterial efficacy of I-GLAD surfaces using two types of bacteria: Escherichia coli (E. coli), a gram-negative bacterium, and Staphylococcus aureus (S. aureus), a gram-positive bacterium. Scanning electron microscopy (SEM) shows the small tips and flexible D/P (feature size over period) ratio of I-GLAD nanoneedles, which is required to achieve the desired bactericidal mechanism. Antibacterial properties of the I-GLAD samples are validated by achieving flat growth curves of E. coli and S. aureus, and direct observation under SEM. The paper bridges the knowledge gaps of seeding techniques for GLAD, and the control/optimization of the I-GLAD process to tune the morphologies of the nano-protrusions. I-GLAD surfaces are effective against both gram-negative and gram-positive bacteria, and they have tremendous potentials in hospital settings and daily surfaces.

论文利用倒置闪烁角沉积(I-GLAD)技术制造抗菌表面。抗菌表面存在于自然界中,如昆虫的翅膀、眼睛和植物叶子上。由于这些表面的杀菌机制纯粹是物理性的,因此可以克服细菌对传统化学抗生素的抗药性。由于天然抗菌表面大多由三维分层微纳结构组成,如何模仿、合成和放大这些抗菌表面并将其用于实际应用是一个技术难题。本文提出使用 I-GLAD 作为一种自下而上的新型纳米制造技术,来放大受生物启发的纳米结构抗菌表面。我们创新的 I-GLAD 纳米制造技术包括传统的 GLAD 沉积工艺和关键的倒转工艺。制造完成后,我们使用两种细菌探索了 I-GLAD 表面的抗菌功效:大肠杆菌(一种革兰氏阴性细菌)和金黄色葡萄球菌(一种革兰氏阳性细菌)。扫描电子显微镜(SEM)显示,I-GLAD 纳米针的针尖很小,D/P(特征尺寸大于周期)比很灵活,这是实现理想的杀菌机制所必需的。通过实现大肠杆菌和金黄色葡萄球菌的平坦生长曲线以及在扫描电镜下的直接观察,验证了 I-GLAD 样品的抗菌特性。论文填补了 GLAD 种子技术和 I-GLAD 工艺控制/优化方面的知识空白,从而调整了纳米突起的形态。I-GLAD 表面对革兰氏阴性菌和革兰氏阳性菌均有效,在医院环境和日常生活表面具有巨大潜力。
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引用次数: 0
Multigenerational inheritance of breathing deficits following perinatal exposure to titanium dioxide nanoparticles in the offspring of mice. 小鼠围产期暴露于二氧化钛纳米粒子后代呼吸缺陷的多代遗传。
0 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-23 DOI: 10.1186/s11671-023-03927-0
Marie Boulain, Didier Morin, Laurent Juvin

Background: The utilization of titanium dioxide nanoparticles (TIO2NPs) has experienced a significant surge in recent decades, and these particles are now commonly found in various everyday consumer products. Due to their small size, TIO2NPs can penetrate biological barriers and elicit adverse interactions with biological tissues. Notably, exposure of pregnant females to TIO2NPs during the perinatal period has been shown to disrupt the growth of offspring. Furthermore, this exposure induces epigenetic modifications in the DNA of newborns, suggesting the possibility of multigenerational effects. Thus, perinatal exposure to TIO2NPs may induce immediate metabolic impairments in neonates, which could be transmitted to subsequent generations in the long term.

Results: In this study, we utilized perinatal exposure of female mice to TIO2NPs through voluntary food intake and observed impaired metabolism in newborn male and female F1 offspring. The exposed newborn mice exhibited reduced body weight gain and a slower breathing rate compared to non-exposed animals. Additionally, a higher proportion of exposed F1 newborns experienced apneas. Similar observations were made when the exposure was limited to the postnatal period, highlighting lactation as a critical period for the adverse effects of TIO2NPs on postnatal metabolism. Importantly, the breathing deficits induced by TIO2NPs were transmitted from F1 females to the subsequent F2 generation. Moreover, re-exposure of adult F1 females to TIO2NPs exacerbated the breathing deficits in newborn F2 males.

Conclusions: Our findings demonstrate that perinatal exposure to TIO2NPs disrupts postnatal body weight gain and respiration in the offspring, and these deficits are transmissible to future generations.

背景:近几十年来,二氧化钛纳米粒子(TIO2NPs)的使用量大幅增加,目前在各种日常消费品中都能常见到这种粒子。由于尺寸较小,TIO2NPs 可以穿透生物屏障,与生物组织产生不良相互作用。值得注意的是,孕妇在围产期接触 TIO2NPs 已被证明会干扰后代的生长。此外,这种接触还会诱导新生儿的 DNA 发生表观遗传学改变,从而可能产生多代效应。因此,围产期暴露于 TIO2NPs 可能会立即诱发新生儿代谢障碍,并可能长期遗传给后代:在这项研究中,我们利用雌性小鼠围产期自愿摄入食物的方式暴露于 TIO2NPs,观察到新生雌雄 F1 后代的代谢受损情况。与未暴露的动物相比,暴露的新生小鼠体重增加减少,呼吸频率减慢。此外,暴露的 F1 新生小鼠出现呼吸暂停的比例较高。当暴露仅限于产后期间时,也会出现类似的观察结果,这表明哺乳期是 TIO2NPs 对产后代谢产生不利影响的关键时期。重要的是,TIO2NPs 诱导的呼吸障碍会从 F1 雌性传给随后的 F2 后代。此外,成年 F1 雌性再次暴露于 TIO2NPs 会加剧新生 F2 雄性的呼吸障碍:我们的研究结果表明,围产期暴露于 TIO2NPs 会干扰后代的体重增加和呼吸,而且这些缺陷会遗传给后代。
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引用次数: 0
A novel digitonin/graphene oxide/iron oxide nanocomposite: synthesis, physiochemical characterization and antioxidant activity. 新型地高辛/氧化石墨烯/氧化铁纳米复合材料:合成、理化特性和抗氧化活性。
0 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-22 DOI: 10.1186/s11671-024-03960-7
Bashar Aljawrneh, Khaled Shawakfeh, Borhan Aldeen Albiss, Abdelelah Alshanableh, Mahmoud A Al-Qudah, Tariq T Bataineh, Lona Shawakfeh

In this work, iron oxide (Fe3O4) magnetic nanoparticles (MNPs) and graphene oxide (GO) nanosheets were prepared via the co-precipitation technique and the Modified Hummer method. Fe3O4 MNPs and GO nanosheets were combined to prepare Fe3O4/GO nanocomposite and subsequently conjugated with Digitonin (DIG) in order to obtain a dual-targeted delivery system based on DIG/Fe3O4/GO nanocomposite. SEM images reveal the presence of Fe3O4 MNPs at a scale of 100 nm, exhibiting dispersion between the GO nanosheets. Aggregation of the DIG/Fe3O4/GO nanocomposite was observed at various size scales. The XRD structural analysis confirms the crystal structure of the prepared samples. The Fe3O4 MNPs demonstrated the main XRD-diffracted peaks. Also, GO nanosheets exhibit crystalline characteristics on the (001) and (002) planes. The predominant peaks observed in the DIG/GO/Fe3O4 nanocomposite are attributed to the crystal phases of Fe3O4 MNPs. The FT-IR vibrational modes observed in the GO/DIG/Fe3O4 nanocomposite indicate the presence of crosslinking between GO nanosheet layers and the Fe3O4 MNPs. The antioxidant activity of the prepared samples was measured and the DIG/GO/Fe3O4 nanocomposite demonstrated a significantly high antioxidant activity in both 2-diphenyl-1-picrylhydrazyl (DPPH·) and 2,2-azino-bis-3-ethylbenzthiazoline-6-sulfonic acid (ABTS·+) tests.

本研究通过共沉淀技术和改良悍马法制备了氧化铁(Fe3O4)磁性纳米颗粒(MNPs)和氧化石墨烯(GO)纳米片。将 Fe3O4 MNPs 和 GO 纳米片结合起来制备了 Fe3O4/GO 纳米复合材料,然后与地西妥宁(DIG)共轭,得到了基于 DIG/Fe3O4/GO 纳米复合材料的双靶向递送系统。扫描电子显微镜图像显示,Fe3O4 MNPs 的尺度为 100 纳米,分散在 GO 纳米片之间。在不同粒度的 DIG/Fe3O4/GO 纳米复合材料上都观察到了聚集现象。XRD 结构分析证实了所制备样品的晶体结构。Fe3O4 MNPs 显示出主要的 XRD 衍射峰。此外,GO 纳米片在 (001) 和 (002) 平面上也显示出晶体特征。在 DIG/GO/Fe3O4 纳米复合材料中观察到的主要峰值归因于 Fe3O4 MNPs 的晶相。在 GO/DIG/Fe3O4 纳米复合材料中观察到的傅立叶变换红外振动模式表明,GO 纳米片层和 Fe3O4 MNPs 之间存在交联。对所制备样品的抗氧化活性进行了测定,DIG/GO/Fe3O4 纳米复合材料在 2-二苯基-1-苦基肼(DPPH-)和 2,2-氮基-双-3-乙基苯并噻唑啉-6-磺酸(ABTS-+)测试中都表现出了很高的抗氧化活性。
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引用次数: 0
Traceable characterization of hollow organosilica beads as potential reference materials for extracellular vesicle measurements with optical techniques. 空心有机硅珠的可追溯表征,作为利用光学技术测量细胞外囊泡的潜在参考材料。
N/A MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-22 DOI: 10.1186/s11671-024-03956-3
Jérôme Deumer, Robin Schürmann, Anikó Gaál, Zoltán Varga, Britta Bettin, Edwin van der Pol, Rienk Nieuwland, David Ojeda, Aneta Sikora, Dorota Bartczak, Heidi Goenaga-Infante, Johanna Noireaux, Mahrad Khakpour, Virpi Korpelainen, Christian Gollwitzer

The concentration of cell-type specific extracellular vesicles (EVs) is a promising biomarker for various diseases. However, concentrations of EVs measured by optical techniques such as flow cytometry (FCM) or particle tracking analysis (PTA)  in clinical practice are incomparable. To allow reliable and comparable concentration measurements suitable reference materials (RMs) and SI-traceable (SI-International system of units) methods are required. Hollow organosilica beads (HOBs) are promising RM candidates for concentration measurements of EVs based on light scattering, as the shape, low refractive index, and number concentration of HOBs are comparable to EVs of the respective size range that can be detected with current optical instrumentation. Here, we present traceable methods for measuring the particle size distribution of four HOB types in the size range between 200 and 500 nm by small-angle X-ray scattering (SAXS) and atomic force microscopy (AFM), as well as the number concentration by single-particle inductively coupled plasma mass spectrometry (spICP-MS). Based on the size and shape results, traceable reference values were obtained to additionally determine the refractive index of the shell of the HOB samples by FCM. Furthermore, the estimated refractive indexes of the HOBs plausibly agree with the refractive indexes of EVs of corresponding size. Due to their narrow size distribution and their similar shape, and low refractive index, all HOB samples studied are suitable RM candidates for calibration of the measured sample volume by optical methods within the photon wavelength range used, and thus for calibration of number concentration measurements of EVs in the size range indicated. This was confirmed as the number concentration values obtained by PTA and two independent flow cytometric measurements agreed with the concentration reference values obtained by two independent spICP-MS measurements within the calculated uncertainty limits.

细胞类型特异性胞外囊泡(EVs)的浓度是一种很有前景的多种疾病生物标志物。然而,在临床实践中,通过流式细胞术(FCM)或粒子追踪分析(PTA)等光学技术测量的EVs浓度是不可比的。为了进行可靠、可比的浓度测量,需要合适的参考材料(RM)和可追溯的 SI(国际单位制)方法。空心有机硅珠(HOBs)的形状、低折射率和数量浓度与目前光学仪器可检测的相应大小范围的 EVs 相当,因此是基于光散射测量 EVs 浓度的有希望的候选参考物质。在这里,我们介绍了通过小角 X 射线散射(SAXS)和原子力显微镜(AFM)测量四种 HOB 的粒度分布(粒度范围在 200 纳米到 500 纳米之间)以及通过单颗粒电感耦合等离子体质谱(spICP-MS)测量其数量浓度的可追溯方法。根据尺寸和形状结果,还获得了可溯源的参考值,从而通过 FCM 进一步确定了 HOB 样品外壳的折射率。此外,HOB 的估计折射率与相应尺寸的 EV 的折射率基本吻合。由于 HOB 样品的尺寸分布较窄、形状相似且折射率较低,因此研究的所有 HOB 样品都适合在所使用的光子波长范围内通过光学方法校准测量的样品体积,从而校准所示尺寸范围内的 EV 数量浓度测量值。通过 PTA 和两个独立的流式细胞仪测量得到的数量浓度值与两个独立的 spICP-MS 测量得到的浓度参考值在计算的不确定性范围内一致,这一点得到了证实。
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引用次数: 0
Spectral analysis with highly collimated mini-LEDs as light sources for quantitative detection of direct bilirubin. 利用高度准直的微型 LED 作为光源进行光谱分析,定量检测直接胆红素。
Pub Date : 2024-01-18 DOI: 10.1186/s11671-024-03957-2
Zhi Ting Ye, Shen Fu Tseng, Shang Xuan Tsou, Chun Wei Tsai

Because the human eye cannot visually detect the results of direct bilirubin test papers accurately and quantitatively, this study proposes four different highly collimated mini light-emitting diodes (HC mini-LEDs) as light sources for detection. First, different concentrations of bilirubin were oxidized to biliverdin by FeCl3 on the test paper, and pictures were obtained with a smartphone. Next, the red, green, and blue (RGB) channels of the pictures were separated to average grayscale values, and their linear relationship with the direct bilirubin concentration was analyzed to detect bilirubin on the test paper noninvasively and quantitatively. The experimental results showed that when green HC mini-LEDs were used as the light sources and image analysis was performed using the G channel, for a direct bilirubin concentration range of 0.1-2 mg/dL, the G channel determination coefficient (R2) reached 0.9523 and limit of detection was 0.459 mg/dL. The detection method proposed herein has advantages such as rapid analysis, noninvasive detection, and digitization according to RGB grayscale changes in the images of the detection test paper.

由于人眼无法直观地准确定量检测直接胆红素试纸的结果,本研究提出了四种不同的高准直微型发光二极管(HC mini-LED)作为检测光源。首先,在试纸上用氯化铁将不同浓度的胆红素氧化成胆绿素,并用智能手机获取图片。然后,将图片的红、绿、蓝(RGB)通道分离成平均灰度值,分析其与直接胆红素浓度的线性关系,从而无创、定量地检测试纸上的胆红素。实验结果表明,当使用绿色 HC 微型 LED 作为光源并使用 G 通道进行图像分析时,在直接胆红素浓度为 0.1-2 mg/dL 的范围内,G 通道测定系数(R2)达到 0.9523,检测限为 0.459 mg/dL。本文提出的检测方法具有快速分析、无创检测、根据检测试纸图像的 RGB 灰度变化进行数字化等优点。
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引用次数: 0
Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin. 一些金属氧化物及其衍生纳米团簇的实验和密度泛函理论研究:对人类铁蛋白的比较效应。
Pub Date : 2024-01-15 DOI: 10.1186/s11671-023-03922-5
Zahraa S Al-Garawi, Ahmad H Ismail, Duaa H Hillo, Füreya Elif Öztürkkan, Hacali Necefoğlu, Gehad G Mohamed, Abanoub Mosaad Abdallah

A comprehensive investigation into the green synthesis of metal oxide nanoparticles (NPs) has garnered significant attention due to its commendable reliability, sustainability, and environmentally friendly attributes. Green synthesis methods play a crucial role in mitigating the adverse effects associated with conventional approaches employed for nanostructure preparation. This research endeavors to examine the impact of ginger plant extract-assisted green synthesis of metal oxides NPs on the serum ferritin levels of anemic diabetic patients in vitro, focusing specifically on α-Fe2O3 and ZnO NPs. Sixty diabetic volunteers with anemia (35-50 years) and thirty healthy volunteers were enrolled as controls. The assessment was conducted using the VIDAS Ferritin (FER) assay. Photoluminescence (PL) spectroscopy measurements were performed to elucidate the intrinsic and extrinsic transitions of these NPs, affirming the successful formation of α-structured iron oxide. Density functional theory (DFT) calculations were carried out at the B3LYP/6-311++G(d,2p) level of theory to investigate the geometry optimization and molecular electrostatic potential maps of the NPs. Furthermore, TD-DFT calculations were employed to explore their frontier molecular orbitals and various quantum chemical parameters. The binding affinity and interaction types of ZnO and α-Fe2O3 NPs to the active site of the human H-Chain Ferritin (PDB ID: 2FHA) target were determined with the help of molecular docking. Results unveiled the crystalline structure of ZnO and the α-structure of α-Fe2O3. Analysis of the frontier molecular orbitals and dipole moment values demonstrated that ZnO (total dipole moment (D) = 5.80 µ) exhibited superior chemical reactivity, biological activity, and stronger molecular interactions with diverse force fields compared to α-Fe2O3 (D = 2.65 µ). Molecular docking of the metal oxides NPs with human H-chain ferritin provided evidence of robust hydrogen bond interactions and metal-acceptor bonds between the metal oxides and the target protein. This finding could have a great impact on using metal oxides NPs-ferritin as a therapeutic protein, however, further studies on their toxicity are required.

对金属氧化物纳米粒子(NPs)绿色合成的全面研究因其值得称道的可靠性、可持续性和环境友好特性而备受关注。绿色合成方法在减轻传统纳米结构制备方法的不利影响方面发挥着至关重要的作用。本研究试图考察生姜植物提取物辅助绿色合成金属氧化物 NPs 对体外贫血糖尿病患者血清铁蛋白水平的影响,特别关注 α-Fe2O3 和 ZnO NPs。60 名患有贫血症的糖尿病志愿者(35-50 岁)和 30 名健康志愿者作为对照。评估采用 VIDAS 铁蛋白(FER)测定法进行。光致发光(PL)光谱测量阐明了这些 NPs 的内在和外在转变,证实了 α 结构氧化铁的成功形成。在 B3LYP/6-311++G(d,2p) 理论水平上进行了密度泛函理论(DFT)计算,以研究 NPs 的几何优化和分子静电位图。此外,还采用 TD-DFT 计算来探索其前沿分子轨道和各种量子化学参数。在分子对接的帮助下,确定了 ZnO 和 α-Fe2O3 NPs 与人类 H 链铁蛋白(PDB ID:2FHA)靶标活性位点的结合亲和力和相互作用类型。结果揭示了 ZnO 的晶体结构和 α-Fe2O3 的 α 结构。对前沿分子轨道和偶极矩值的分析表明,与α-Fe2O3(D = 2.65 µ)相比,ZnO(总偶极矩 (D) = 5.80 µ)表现出更高的化学反应活性和生物活性,以及与各种力场更强的分子相互作用。金属氧化物 NPs 与人类 H 链铁蛋白的分子对接证明,金属氧化物与目标蛋白质之间存在强大的氢键相互作用和金属受体键。这一发现可能会对使用金属氧化物 NPs 铁蛋白作为治疗蛋白质产生重大影响,但还需要对其毒性进行进一步研究。
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引用次数: 0
Nanoparticles assisted intra and transdermic delivery of antifungal ointment: an updated review. 纳米颗粒辅助抗真菌药膏的体内和透皮给药:最新综述。
Pub Date : 2024-01-09 DOI: 10.1186/s11671-023-03932-3
Nazia Tarannum, Km Pooja, Shivani Jakhar, Anshika Mavi

This review paper highlights the trans-dermic delivery of nanoparticles (NPs) based antifungal ointments with the help of nanotechnology. It also describes the novel trans-dermal approach utilizing various nanoparticles which enables an efficient delivery to the target site. This current review gives an overview about past research and developments as well as the current nanoparticle-based ointments. This review also presents data regarding types, causes of infection, and different pathogens within their infection site. It also gives information about antifungal ointments with their activity and side effects of antifungal medicines. Additionally, this review also focuses on the future aspects of the topical administration of nanoparticle-based antifungal ointments. These nanoparticles can encapsulate multiple antifungal drugs as a combination therapy targeting different aspects of fungal infection. Nanoparticles can be designed in such a way that they can specifically target fungal cells and do not affect healthy cells. Nanoparticle based antifungal ointments exhibit outstanding potential to treat fungal diseases. As further research and advancements evolve in nanotechnology, we expect more development of nanoparticle-based antifungal formulations shortly. This paper discusses all the past and future applications, recent trends, and developments in the various field and also shows its bright prospective in the upcoming years.

这篇综述论文重点介绍了在纳米技术的帮助下,基于纳米粒子(NPs)的抗真菌药膏的透皮给药。它还介绍了利用各种纳米颗粒的新型透皮给药方法,这种方法可将药物有效地输送到目标部位。本综述概述了过去的研究和发展以及目前基于纳米颗粒的软膏。本综述还提供了有关感染类型、感染原因以及感染部位内不同病原体的数据。它还介绍了抗真菌软膏的活性和抗真菌药物的副作用。此外,这篇综述还关注了纳米颗粒抗真菌软膏局部用药的未来前景。这些纳米颗粒可以封装多种抗真菌药物,作为针对真菌感染不同方面的综合疗法。纳米颗粒的设计可以专门针对真菌细胞,而不会影响健康细胞。基于纳米颗粒的抗真菌软膏在治疗真菌疾病方面具有突出的潜力。随着纳米技术的进一步研究和发展,我们期待不久之后会有更多基于纳米粒子的抗真菌制剂问世。本文讨论了该领域过去和未来的所有应用、最新趋势和发展,并展示了其在未来几年的光明前景。
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