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Non enzymatic fluorometric determination of glucose by using quenchable g-C3N4 quantum dots
摘要： A non-enzymatic fluorometric assay is described for the determination of glucose. The method is based on the use of g-C3N4 quantum dots (QDs) that have good water solubility. The QDs were synthesized by a one-step solvothermal process using formamide as precursor. The QDs possess an average size of ~5 nm, a band gap of 3.0~3.5 eV, and strong blue fluorescence (with excitation/emission maxima at 400/447 nm). Fluorescence is quenched by glucose (which acts as the electron acceptor) via an electron transfer mechanism. Comprehensive spectroscopy and density functional theory calculations show that the selectivity of the fluorescent probe can be attributed to the presence of N-H bonds that are formed between the QDs (mainly at plane edges) and glucose. The interaction forces lead to the formation of localized states for capturing hot electrons. This results in a decrease in the band gap and a reduction in fluorescence intensity. The probe is selective over some typical interfering species (such as cysteine and albumin) which often are present in the urine of diabetics. The method has a linear response in the 0.2 to 5.0 mM glucose concentration range and a 0.2 mM detection limit.
关键词： Density functional theory calculations,Fluorescent probe,Fluorescence quenching,Inorganic nanomaterials
更新于2025-09-16 10:30:52
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Vibrational Spectra of Thiolate-Protected Gold Nanocluster with Infrared Reflection Absorption Spectroscopy: Size- and Temperature-Dependent Ordering Behavior of Organic Monolayer
摘要： Vibrational spectra of thiolate-protected gold nanoclusters, prepared in a monolayer manner using the Langmuir?Blodgett method, were measured by means of infrared re?ection absorption spectroscopy (IRAS). A transferred monolayer of gold nanoclusters ligated by dodecanethiolate or 2-phenylethane-1-thiolate onto a single-crystal gold (Au) surface of Au(111) exhibits worthy IRAS spectra that reveal temperature-dependent behaviors from 100 to 340 K as well as comprehensive peak assignments based on density functional theory calculations: the conformation change in ligands between all trans and gauche defect forms with temperature. In addition to the temperature dependence, the cluster size dependence of alkyl and phenyl moieties is discussed, compared with the IRAS spectra of the corresponding self-assembled monolayers (SAMs) on Au(111). Ligands spreading three-dimensionally from the Au core determine the coordination structure of the ligated Au nanoclusters.
关键词： self-assembled monolayers,density functional theory calculations,Langmuir?Blodgett method,thiolate-protected gold nanoclusters,Vibrational spectra,temperature-dependent behaviors,infrared re?ection absorption spectroscopy
更新于2025-09-12 10:27:22
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Surface Nonlinear Optics on Centrosymmetric Dirac Nodal‐Line Semimetal ZrSiS
摘要： Gapless surface states (SSs) are features of topological semimetals and are extensively observed. Nowadays, the emerging question is whether the SSs possess exotic and applicable properties. Here, associated with the symmetrical selection rule for nonlinear optical materials, the surface nonlinear optics on a centrosymmetric Dirac nodal-line semimetal ZrSiS crystal is studied and it is found that the SSs bring record nonlinear susceptibilities. The unprecedented conversion efficiencies for second and third harmonic generations are 0.11‰ and 0.43‰, respectively, more than ten orders of magnitude larger than the typical surface second harmonic generation. This work discovers a new route toward studying the SSs for applications in nonlinear photonics.
关键词： density functional theory calculations,ZrSiS,surface states,nonlinear optics,symmetry breaking
更新于2025-09-11 14:15:04
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Unraveling the Structural and Electronic Properties of Graphene/Ge(110)
摘要： The direct growth of graphene on a semiconducting substrate opens a new avenue for future graphene-based applications. Understanding the structural and electronic properties of the graphene on a semiconducting surface is key for realizing such structures; however, these properties are poorly understood thus far. Here, we provide an insight into the structural and electronic properties of graphene grown directly on a Ge(110) substrate. Our scanning tunneling microscopy (STM) study reveals that overlaying graphene on Ge(110) promotes the formation of a new Ge surface reconstruction, i.e., a (6 × 2) superstructure, which has been never observed for a bare Ge(110) surface. The electronic properties of the system exhibit the characteristics of both graphene and Ge. The differential conductance (dI/dV) spectrum from a scanning tunneling spectroscopy (STS) study bears a parabolic structure, corresponding to a reduction in the graphene Fermi velocity, with exhibiting additional peaks stemming from the p-orbitals of Ge. The density functional theory (DFT) calculations confirm the existence of surface states due to the p-orbitals of Ge.
关键词： density functional theory calculations,scanning tunneling microscopy,Ge(110),scanning tunneling spectroscopy,Graphene,Ge surface reconstruction
更新于2025-09-10 09:29:36
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Design of Surface Acoustic Wave Sensors Functionalized with Bisphenol S Based Molecules for Lead Ions Detection
摘要： This study concerns the design of surface acoustic wave sensors functionalized with bisphenol S based molecules for lead ions detection. (4-hydroxyphenyl, 4′-benzyloxyphenyl) sulfone (M1), (4-hydroxyphenyl,4′-anthrylmethyloxyphenyl) sulfone (M2) and (4,4′-bis (anthrylmethyloxyphenyl)) sulfone (M3) were synthesized and then drop-coated on the SAWs sensing areas. Gravimetric results indicate that the limit of detection of the three sensors is in the picomolar range and that the M3/SAW sensor has the highest affinity towards lead ions compared to M1/SAW and M2/SAW. Density functional theory (DFT) calculations were investigated to support experimental results and to understand the nature of interactions involved between lead ions and the three synthetized molecules.
关键词： surface acoustic wave sensors,density functional theory calculations,lead ions
更新于2025-09-09 09:28:46