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First Principles Investigation of the Optoelectronic Properties of Molybdenum Dinitride for Optical Sensing Applications 光传感用二氮化钼光电特性的第一性原理研究
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10429
A. Ramanathan
The electronic and optical properties of the newly synthesized molybdenum dinitride (MoN2) in the hypothetical 2H structure analogous to MoS2 is investigated using the density functional theory (DFT) full potential linearized augmented plane wave (FP-LAPW) method and the modified Becke–Johnson (mBJ) approximation. The aim is to investigate the optoelectronic properties of this compound for potential optical sensing applications and compare with the capabilities of MoS2 in this field. As compared to MoS2, which is a semiconductor, MoN2 is found to be a semi metal from the band structure plots. The dielectric function, optical conductivity and the optical constants, namely, the refractive index, the reflectivity, the extinction and absorption coefficients, are evaluated and compared with those of MoS2 and discussed with reference to the sensing performance.
采用密度泛函理论(DFT)、全势线性化增广平面波(FP-LAPW)方法和改进的Becke-Johnson (mBJ)近似,研究了新合成的二氮化钼(MoN2)的电子和光学性质。目的是研究该化合物在光学传感领域的光电特性,并与MoS2在该领域的能力进行比较。与MoS2相比,MoS2是一种半导体,从带结构图中发现MoN2是半金属。评估了其介电函数、光学电导率和光学常数,即折射率、反射率、消光系数和吸收系数,并与MoS2的光学常数进行了比较,并参考传感性能进行了讨论。
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引用次数: 2
Metal–Peptide Complexes—A Novel Class of Molecular Receptors for Electrochemical Phosphate Sensing 金属-肽复合物——一类新型的电化学磷酸传感分子受体
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10449
Aleksandra Tobolska, N. E. Wezynfeld, Urszula E. Wawrzyniak, W. Bal, W. Wróblewski
Amyloid-β (Aβ) peptides are crucial in the pathology of Alzheimer’s disease. On the other hand, their metal complexes possess distinctive coordination properties that could be of great importance in the selective recognition of (bio)analytes, such as anions. Here, we report a novel group of molecular receptors for phosphate anions recognition: metal–peptide complexes of Aβ peptides, which combine features of synthetic inorganic ligands and naturally occurring binding proteins. The influence of the change in the metal ion center on the coordination and redox properties of binary Cu(II)/Ni(II)-Aβ complexes, as well as the affinity of these complexes towards phosphate species, were analyzed. This approach offers the possibility of fine-tuning the receptor affinity for desired applications.
淀粉样蛋白-β (Aβ)肽在阿尔茨海默病的病理中起着至关重要的作用。另一方面,它们的金属配合物具有独特的配位特性,这在(生物)分析物(如阴离子)的选择性识别中非常重要。在这里,我们报道了一组新的磷酸阴离子识别分子受体:a β肽的金属肽复合物,它结合了合成无机配体和天然存在的结合蛋白的特征。分析了金属离子中心的变化对Cu(II)/Ni(II)- a - β二元配合物配位和氧化还原性能的影响,以及这些配合物对磷酸盐的亲和力。这种方法提供了微调所需应用的受体亲和力的可能性。
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引用次数: 0
Colorimetric Determination of Nitrate after Reduction to Nitrite in a Paper-Based Dip Strip 纸基浸渍条还原为亚硝酸盐后硝酸盐的比色法测定
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10459
Amer Charbaji, H. Heidari-Bafroui, Nasim Rahmani, C. Anagnostopoulos, M. Faghri
Paper-based microfluidic technology is a relatively new field of research that provides low-cost platforms and sensors for point-of-care diagnostics. While the majority of research in this field has been for biomedical applications, more and more paper-based devices and platforms are being designed and developed for environmental applications, such as water quality monitoring and assessment. One such application is the detection of nitrate in water samples. Colorimetric detection of nitrate by paper-based devices using the Griess assay requires the reduction of nitrate to nitrite before undergoing the reaction. In this paper, we measured the performance of a paper-based dip strip for detecting nitrate and nitrite by calculating its limit of detection and limit of quantification. We also calculated the reduction efficiency of vanadium (III) chloride in the dip strip for detecting nitrate. Our results show that the reduction time of nitrate via vanadium (III) chloride is much longer than that when using zinc microparticles. Our results also show that the performance of the dip strip using vanadium (III) chloride for nitrate detection is not as good as more intricate paper-based devices that have a separate reaction zone with zinc microparticles. The limits of detection and quantification calculated were 3.352 and 7.437 ppm, and the nitrate reduction efficiency varied over the range of nitrate concentrations tested.
基于纸张的微流控技术是一个相对较新的研究领域,它为即时诊断提供了低成本的平台和传感器。虽然这一领域的大多数研究都是用于生物医学应用,但越来越多的纸质设备和平台正在设计和开发用于环境应用,例如水质监测和评估。其中一个应用是检测水样中的硝酸盐。使用Griess测定法的纸质设备进行硝酸盐比色检测需要在进行反应之前将硝酸盐还原为亚硝酸盐。本文通过计算纸基浸渍条的检出限和定量限,对纸基浸渍条检测硝酸盐和亚硝酸盐的性能进行了测试。我们还计算了硝酸检测浸带中氯化钒(III)的还原效率。结果表明,氯化钒对硝酸盐的还原时间远长于锌微粒对硝酸盐的还原时间。我们的研究结果还表明,使用氯化钒(III)的浸条检测硝酸盐的性能不如更复杂的纸基设备,这些设备与锌微粒有单独的反应区。计算的检出限和定量限分别为3.352和7.437 ppm,硝酸盐还原效率在不同浓度范围内有所变化。
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引用次数: 1
Core Modulation of Porphyrins for Chemical Sensing 用于化学传感的卟啉核心调制
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10417
Karolis Norvaiša, M. Senge
The inner core system of metal-free (‘free base’) porphyrins has continually served as a ligand for various metal ions, but it was only recently studied in organocatalysis due its highly tunable basicity. Highly conjugated porphyrin systems offer spectrophotometric sensitivity toward geometrical and/or electronic changes and, thus, utilizing the porphyrin core for the selective detection of substrates in solution offers significant potential for a multitude of applications. However, solvation and dilution drastically affect weak interactions by dispersing the binding agent to its surroundings. Thus, the spectroscopic detection of N–H···X-type binding in porphyrin solutions is almost impossible without especially designing the binding pocket. Here, we present the first report on the spectroscopic detection of N–H···X-type interplay in porphyrins formed by weak interactions. Protonated 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-aminophenyl) porphyrin contains coordination sites for the selective binding of charge-bearing analytes, revealing characteristic spectroscopic responses. While electronic absorption spectroscopy proved to be a particularly useful tool for the detection of porphyrin–analyte interactions in the supramolecular complexes, X-ray crystallography helped to pinpoint the orientation, flexibility, and encapsulation of substrates in the corresponding atropisomers. This charge-assisted complexation of analytes in the anion-selective porphyrin inner core system is ideal for the study of atropisomers using high-resolution NMR, since it reduces the proton exchange rate, generating static proton signals. Therefore, we were able to characterize all four rotamers of the nonplanar 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-aminophenyl) porphyrin by performing 1D and 2D NMR spectroscopic analyses of host-guest systems consisting of benzenesulfonic acid (BSA) and each porphyrin atropisomer. Lastly, a detailed assignment of the symmetry operations that are unique to porphyrin atropisomers allowed us to accurately identify the rotamers using NMR techniques only. Overall, the N–H···X-type interplay in porphyrins formed by weak interactions that form restricted H-bonding complexes is shown to be the key to unravelling the atropisomeric enigma.
无金属卟啉(“游离碱”)的内核系统一直作为各种金属离子的配体,但由于其高度可调的碱度,直到最近才在有机催化中进行研究。高共轭卟啉系统提供对几何和/或电子变化的分光光度灵敏度,因此,利用卟啉核心对溶液中的底物进行选择性检测,为众多应用提供了巨大的潜力。然而,溶剂化和稀释通过将结合剂分散到周围环境而极大地影响弱相互作用。因此,如果不特别设计结合袋,卟啉溶液中N-H···x型结合的光谱检测几乎是不可能的。本文首次报道了弱相互作用形成的卟啉中N-H···x型相互作用的光谱检测。质子化的2,3,7,8,12,13,17,18-辛乙基-5,10,15,20-四(2-氨基苯基)卟啉含有选择性结合带电荷分析物的配位位点,显示出特征的光谱响应。虽然电子吸收光谱被证明是检测超分子络合物中卟啉-分析物相互作用的特别有用的工具,但x射线晶体学有助于确定相应的atropisomers中底物的取向、灵活性和封装性。这种负离子选择性卟啉内核系统中的电荷辅助络合分析物是使用高分辨率核磁共振研究atropisomers的理想选择,因为它降低了质子交换速率,产生静态质子信号。因此,我们能够通过对苯磺酸(BSA)和每个卟啉托罗体组成的主-客体系进行一维和二维核磁共振光谱分析,表征非平面2,3,7,8,12,13,17,18-辛乙基-5,10,15,20-四(2-氨基苯基)卟啉的所有四个旋转体。最后,对卟啉异旋体特有的对称操作的详细分配使我们能够仅使用核磁共振技术准确地识别旋转体。总的来说,卟啉中N-H···x型相互作用由弱相互作用形成的限制性氢键复合物被证明是解开atropisom异构之谜的关键。
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引用次数: 0
Advances in Visual Immunoassays for Sensitive Detection of Mycotoxins in Food—A Review 视觉免疫法检测食品中真菌毒素的研究进展
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10443
Meijuan Liang, Qi Zhang, Peiwu Li
Mycotoxins are the toxic secondary metabolites naturally produced by fungi; their contamination in agricultural products and food severely threatens food safety and public health worldwide. The reliable, efficient, and sensitive quantification of mycotoxins in food has become increasingly challenging to tackle due to the complexity of food matrices and their low level. Visual detection has emerged as a popular trend toward miniaturization and simplification of mycotoxins assays yet is constrained with their limited sensitivity. This review mainly focuses on the various sensitive visual immunoassays for signal amplified detection of mycotoxins. These signal amplified immunoassays for the improved sensitivity of mycotoxins detection in food through nanomaterials for encapsulation enzyme, enzyme-mediated nanomaterials as the amplified signal readout, and nanozyme. Furthermore, the underlying principle and the advantages of visual immunoassays for mycotoxins have been proposed. And the challenges and perspectives have been proposed to develop improved efficient visual immunoassays for mycotoxins in food.
真菌毒素是真菌自然产生的有毒次生代谢物;它们在农产品和食品中的污染严重威胁着全世界的食品安全和公众健康。由于食品基质的复杂性和它们的低水平,食品中真菌毒素的可靠、高效和敏感的定量已经变得越来越具有挑战性。视觉检测已成为一种流行的趋势,朝着小型化和简化真菌毒素的分析,但其有限的灵敏度受到限制。本文主要综述了用于真菌毒素信号放大检测的各种灵敏的视觉免疫检测方法。这些用于提高食品中真菌毒素检测敏感性的信号扩增免疫分析通过纳米材料用于包封酶,酶介导的纳米材料作为扩增信号读出,和纳米酶。此外,还提出了真菌毒素视觉免疫测定法的基本原理和优点。提出了开发改进的食品中真菌毒素的高效视觉免疫测定方法的挑战和前景。
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引用次数: 1
Tunable Electrochemical Sensors Based on Carbon Nanocomposite Materials towards Enhanced Determination of Cadmium, Lead and Copper in Water 基于碳纳米复合材料的可调谐电化学传感器用于水中镉、铅和铜的强化测定
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10456
L. Fernández, J. Bastos-Arrieta, C. Palet, M. Baeza
Many carbon materials are well-known conductive materials, widely used in the fabrication of composite electrodes. In this work, diverse allotropic forms of carbon such as graphite, MWCNTs and rGO were tested. Furthermore, these materials allow the construction of cheaper, smaller, portable, reliable and easy-to-use devices, which can be easily modified. The above-mentioned composite electrodes were developed for metal analysis in water such as Cu, Cd and Pb that, at a high concentration, can have consequences on human health. SWASV is the selected technique. It would be ideal to exploit the potential properties of mercury for metal detection by tuning the electrode’s surface. Due to mercury’s hazardous properties and to reduce the amount of this substance used in polarography, the use of nanoparticles is a good option due to their properties. Mercury nanoparticles were used to modify the surface of the composite electrodes to improve electroanalytical sensor response. For this reason, using these modified composite electrodes can lower detection limits and widen the linear range that can be achieved for Cd (0.05–1 mg·L−1) and Pb (0.045–1 mg·L−1). However, for Cu (0.114–1.14 mg·L−1), meaningful variations were not observed compared to the bare electrode.
许多碳材料是众所周知的导电材料,广泛应用于复合电极的制造。在这项工作中,测试了不同同素异形体的碳,如石墨、MWCNTs和还原氧化石墨烯。此外,这些材料允许建造更便宜、更小、便携、可靠和易于使用的设备,这些设备可以很容易地进行修改。上述复合电极是为分析水中的铜、镉和铅等金属而开发的,这些金属在高浓度时可能对人体健康产生影响。SWASV是被选择的技术。通过调整电极的表面,利用汞的潜在特性进行金属探测将是理想的。由于汞的危险特性,以及为了减少极谱中使用这种物质的数量,纳米颗粒的使用是一个很好的选择,因为它们的特性。采用纳米汞修饰复合电极表面,提高了电分析传感器的响应。因此,使用这些修饰的复合电极可以降低Cd (0.05-1 mg·L−1)和Pb (0.045-1 mg·L−1)的检出限,扩大线性范围。然而,对于铜(0.114-1.14 mg·L−1),与裸电极相比没有观察到有意义的变化。
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引用次数: 0
Semiconductor Oxide Gas Sensors: Correlation between Conduction Mechanisms and Their Sensing Performances 半导体氧化物气体传感器:传导机制与传感性能的关系
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10472
A. Fioravanti, S. Morandi, M. Carotta
In this work, a variety of semiconducting oxides were prepared and principally characterized by means of spectroscopic techniques (absorbance FT-IR, diffuse reflectance UV-Vis-NIR) to shed light on the electronic properties and defects involved at the roots of gas sensing capabilities. The thick films were obtained by screen printing technology on which electrical characterization and gas sensing measurements were performed. From the cross analysis of the results, a description of the specific sensing mechanism for each material is proposed.
在这项工作中,制备了各种半导体氧化物,并主要通过光谱技术(吸收FT-IR,漫反射UV-Vis-NIR)进行表征,以揭示气体传感能力根源所涉及的电子特性和缺陷。通过丝网印刷技术获得了厚膜,并对其进行了电学表征和气敏测量。通过对结果的交叉分析,对每种材料的具体传感机理进行了描述。
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引用次数: 0
Optical Characterization of Acetone-Sensitive Thin Films of poly(vinyl alcohol)-g-poly(methyl acrylate) 聚乙烯醇-g-聚丙烯酸甲酯丙酮敏感薄膜的光学表征
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10416
K. Lazarova, S. Bozhilova, S. Ivanova, D. Christova, T. Babeva
Organic solvents are widely used as reaction media and/or for the separation and purification of synthetic products in chemical and pharmaceutical industries [...]
有机溶剂在化学和制药工业中广泛用作反应介质和/或用于合成产品的分离和纯化[…]
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引用次数: 1
Developing an Electrochemical Biosensor for the Detection of Hemagglutinin Protein of Influenza A Virus Subtype H1N1 in Artificial Saliva 研制检测人工唾液中甲型流感病毒亚型H1N1血凝素蛋白的电化学生物传感器
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10477
C. Torres-Méndez, Jayendra Ellamathy, M. Mascarenhas, Yifan Liu, Georgia-Vasiliki Gkountana, Patrizia Kühne, Javier Sebastián, I. Jovanović, David Bern, Sharmilee Nandi, Maike Lüftner, Viktoria Langwallner, Maria Lysandrou, S. Taylor, Klara Martinovic, A. Atif, E. Manouchehri, M. Kamali-Moghaddam, G. Mestres
Influenza A virus belongs to the Orthomyxoviridae family and, to date, is one of the most important pathogens causing acute respiratory infections, such as the recent pandemic of 2009. Hemagglutinin (HA) is one of the surface proteins of the virus that allow it to interact with cellular molecules. Due to the fact that it is the most abundant protein in the virus capsule, it is the best target in the detection of the Influenza A H1N1 virus through biosensing devices. Our aim is to develop an electrochemical biosensor to detect H1 by modifying carbon screen-printed electrodes (CSPE) with gold nanoparticles and to add further functionalization with monoclonal antibodies that are specific to this protein. The electrodes were characterized by the means of cyclic voltammetry, differential pulse voltammetry and electrochemical impedance spectroscopy. Our preliminary results suggest that the selected monoclonal antibodies have acceptable affinity and bind effectively to the H1 protein and that the electrodes have a wide potential window in the presence of [Fe(CN)6]3−/4−. In the future, we will continue to develop this biosensor in hope that it will be commercialized and be common in medical procedures during flu seasons and future influenza pandemics.
甲型流感病毒属于正黏液病毒科,迄今为止是引起急性呼吸道感染的最重要病原体之一,例如最近的2009年大流行。血凝素(HA)是病毒的一种表面蛋白,使其能够与细胞分子相互作用。由于它是病毒囊中最丰富的蛋白质,是通过生物传感装置检测甲型H1N1流感病毒的最佳靶点。我们的目标是开发一种电化学生物传感器,通过用金纳米颗粒修饰碳丝网印刷电极(CSPE)来检测H1,并使用特异性的单克隆抗体进一步功能化该蛋白质。采用循环伏安法、差分脉冲伏安法和电化学阻抗谱对电极进行了表征。我们的初步结果表明,所选择的单克隆抗体具有可接受的亲和力,并与H1蛋白有效结合,并且电极在[Fe(CN)6]3−/4−存在下具有宽的电位窗口。未来,我们将继续开发这种生物传感器,希望它能商业化,并在流感季节和未来流感大流行期间的医疗程序中普遍使用。
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引用次数: 1
Characterization of Unpleasant Odors in Poultry Houses Using Metal Oxide Semiconductor-Based Gas Sensor Arrays and Pattern Recognition Methods 利用金属氧化物半导体气体传感器阵列和模式识别方法表征禽舍异味
Pub Date : 2021-06-30 DOI: 10.3390/csac2021-10481
M. Moufid, C. Tiebe, N. El Bari, M. Bartholmai, B. Bouchikhi
In this study, the ability of an electronic nose developed to analyze and monitor odor emissions from three poultry farms located in Meknes (Morocco) and Berlin (Germany) was evaluated. Indeed, the potentiality of the electronic nose (e-nose) to differentiate the concentration fractions of hydrogen sulfide, ammonia, and ethanol was investigated. Furthermore, the impact change of relative humidity values (from 15% to 67%) on the responses of the gas sensors was reported and revealed that the effect remained less than 0.6%. Furthermore, the relevant results confirmed that the developed e-nose system was able to perfectly classify and monitor the odorous air of poultry farms.
在这项研究中,对位于摩洛哥梅克内斯(Meknes)和德国柏林(Berlin)的三个家禽养殖场开发的电子鼻分析和监测气味排放的能力进行了评估。事实上,电子鼻(电子鼻)的潜力,以区分硫化氢,氨和乙醇的浓度部分进行了研究。此外,报告了相对湿度值(从15%到67%)对气体传感器响应的影响变化,并显示其影响仍然小于0.6%。此外,相关结果证实了所开发的电子鼻系统能够完美地对家禽养殖场的恶臭空气进行分类和监测。
{"title":"Characterization of Unpleasant Odors in Poultry Houses Using Metal Oxide Semiconductor-Based Gas Sensor Arrays and Pattern Recognition Methods","authors":"M. Moufid, C. Tiebe, N. El Bari, M. Bartholmai, B. Bouchikhi","doi":"10.3390/csac2021-10481","DOIUrl":"https://doi.org/10.3390/csac2021-10481","url":null,"abstract":"In this study, the ability of an electronic nose developed to analyze and monitor odor emissions from three poultry farms located in Meknes (Morocco) and Berlin (Germany) was evaluated. Indeed, the potentiality of the electronic nose (e-nose) to differentiate the concentration fractions of hydrogen sulfide, ammonia, and ethanol was investigated. Furthermore, the impact change of relative humidity values (from 15% to 67%) on the responses of the gas sensors was reported and revealed that the effect remained less than 0.6%. Furthermore, the relevant results confirmed that the developed e-nose system was able to perfectly classify and monitor the odorous air of poultry farms.","PeriodicalId":9815,"journal":{"name":"Chemistry Proceedings","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75417327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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