scholarly journals Resolving sub-angstrom ambient motion through reconstruction from vibrational spectra

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jack Griffiths ◽  
Tamás Földes ◽  
Bart de Nijs ◽  
Rohit Chikkaraddy ◽  
Demelza Wright ◽  
...  
Keyword(s):  
Single Molecule ◽  
Imaging Techniques ◽  
Surface Enhanced Raman Spectroscopy ◽  
Atomic Scale ◽  
Single Atom ◽  
Ambient Conditions ◽  
Molecular Systems ◽  
Surface Enhanced Raman ◽  
Metal Organic ◽  
Molecule Interactions

AbstractMetal/organic-molecule interactions underpin many key chemistries but occur on sub-nm scales where nanoscale visualisation techniques tend to average over heterogeneous distributions. Single molecule imaging techniques at the atomic scale have found it challenging to track chemical behaviour under ambient conditions. Surface-enhanced Raman spectroscopy can optically monitor the vibrations of single molecules but understanding is limited by the complexity of spectra and mismatch between theory and experiment. We demonstrate that spectra from an optically generated metallic adatom near a molecule of interest can be inverted into dynamic sub-Å metal-molecule interactions using a comprehensive model, revealing anomalous diffusion of a single atom. Transient metal-organic coordination bonds chemically perturb molecular functional groups > 10 bonds away. With continuous improvements in computational methods for modelling large and complex molecular systems, this technique will become increasingly applicable to accurately tracking more complex chemistries.

Development of the ChIMES Force Field for Reactive Molecular Systems: Carbon Monoxide at Extreme Conditions

2019 ◽  
Author(s):  
Rebecca Lindsey ◽  
Nir Goldman ◽  
Laurence E. Fried ◽  
Sorin Bastea
Keyword(s):  
Carbon Monoxide ◽  
Molecular System ◽  
Interaction Model ◽  
System Size ◽  
Single Atom ◽  
Reactive System ◽  
Extreme Conditions ◽  
Ambient Conditions ◽  
Molecular Systems ◽  
Three Body

<p>The interatomic Chebyshev Interaction Model for Efficient Simulation (ChIMES) is based on linear combinations of Chebyshev polynomials describing explicit two- and three-body interactions. Recently, the ChIMES model has been developed and applied to a molten metallic system of a single atom type (carbon), as well as a non-reactive molecular system of two atom types at ambient conditions (water). Here, we continue application of ChIMES to increasingly complex problems through extension to a reactive system. Specifically, we develop a ChIMES model for carbon monoxide under extreme conditions, with built-in transferability to nearby state points. We demonstrate that the resulting model recovers much of the accuracy of DFT while exhibiting a 10<sup>4</sup>increase in efficiency, linear system size scalability and the ability to overcome the significant system size effects exhibited by DFT.</p>

Engineering nanostructures for single-molecule surface-enhanced Raman spectroscopy

2004 ◽  
Author(s):  
Martin Moskovits ◽  
Dae-Hong Jeong ◽  
Tsachi Livneh ◽  
Yiying Wu ◽  
Galen D. Stucky
Keyword(s):  
Raman Spectroscopy ◽  
Single Molecule ◽  
Surface Enhanced Raman Spectroscopy ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Molecule Surface

scholarly journals Fabrication of Bioprobe Self-Assembled on Au–Te Nanoworm Structure for SERS Biosensor

Materials ◽  
2020 ◽  
Vol 13 (14) ◽  
pp. 3234
Author(s):  
Soo Min Kim ◽  
Taek Lee ◽  
Yeong-Gyu Gil ◽  
Ga Hyeon Kim ◽  
Chulhwan Park ◽  
...  
Keyword(s):  
Surface Enhanced Raman Spectroscopy ◽  
Galvanic Replacement ◽  
Ambient Conditions ◽  
Force Microscopy ◽  
Atomic Force ◽  
Surface Enhanced ◽  
Immunodeficiency Virus ◽  
Surface Enhanced Raman ◽  
Immobilized Substrate ◽  
Interconnected Structure

In the present study, we propose a novel biosensor platform using a gold-tellurium (Au–Te) nanoworm structure through surface-enhanced Raman spectroscopy (SERS). Au–Tenanoworm was synthesized by spontaneous galvanic replacement of sacrificial Te nanorods templated with Au (III) cations under ambient conditions. The fabricated Au–Te nanoworm exhibited an interconnected structure of small spherical nanoparticles and was found to be effective at enhancing Raman scattering. The Au–Te nanoworm-immobilized substrate exhibited the ability to detect thyroxine using an aptamer-tagged DNA three-way junction (3WJ) and glycoprotein 120 (GP120) human immunodeficiency virus (HIV) using an antibody. The modified substrates were investigated by scanning electron microscopy and atomic force microscopy (AFM). The optimal Au–Te nanoworm concentration and immobilization time for the thyroxine biosensor platform were further determined by SERS experimentation. Thus, the present study showed that the Au–Te nanoworm structure could be applied to various biosensor platforms.

scholarly journals Surface-enhanced Raman spectroscopy: benefits, trade-offs and future developments

2020 ◽  
Vol 11 (18) ◽  
pp. 4563-4577 ◽  
Author(s):  
Ana Isabel Pérez-Jiménez ◽  
Danya Lyu ◽  
Zhixuan Lu ◽  
Guokun Liu ◽  
Bin Ren
Keyword(s):  
Raman Spectroscopy ◽  
Single Molecule ◽  
Surface Enhanced Raman Spectroscopy ◽  
Direct Identification ◽  
Molecular Fingerprints ◽  
Single Molecule Level ◽  
Trade Offs ◽  
Target Analytes ◽  
Surface Enhanced ◽  
Surface Enhanced Raman

Surface-enhanced Raman spectroscopy (SERS) is a vibrational spectroscopy technique with sensitivity down to the single molecule level that provides fine molecular fingerprints, allowing for direct identification of target analytes.

Raman and Surface Enhanced Raman Spectroscopy of Titanium Carboxylates

1992 ◽  
Vol 271 ◽  
Author(s):  
Beatrice A. Van Vlierberge-Torgerson ◽  
Dilum Dunuwila ◽  
Kris A. Berglund
Keyword(s):  
Raman Spectroscopy ◽  
Structural Changes ◽  
Titanium Isopropoxide ◽  
Surface Enhanced Raman Spectroscopy ◽  
Organic Films ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Metal Organic ◽  
The Relationship ◽  
Hydrolysis Of

ABSTRACTPorous stable metal-organic films can be processed under mild conditions by the hydrolysis of carboxylic acid and titanium isopropoxide mixtures. It is of importance to establish the structure of such materials. Raman spectroscopy is a useful technique in determining structural changes in titanium isopropoxide carboxylate solutions, but weak scattering does not allow for study of thin films unless surface enhancement is used. In an attempt to elucidate the relationship between coating solutions and the final structure of a cast film, we discuss Raman spectra of precursor solutions in a variety of conditions.

scholarly journals Ultrahigh sensitive Raman spectroscopy for subnanoscience: Direct observation of tin oxide clusters

2019 ◽  
Vol 5 (12) ◽  
pp. eaax6455 ◽  
Author(s):  
Akiyoshi Kuzume ◽  
Miyu Ozawa ◽  
Yuansen Tang ◽  
Yuki Yamada ◽  
Naoki Haruta ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Tin Oxide ◽  
Density Functional ◽  
Rational Design ◽  
High Sensitivity ◽  
Density Functional Theory Calculations ◽  
Surface Enhanced Raman Spectroscopy ◽  
Atomic Scale ◽  
Practical Applications ◽  
Surface Enhanced Raman

Subnanometric metal clusters exhibit anomalous catalytic activity, suggesting innovative applications as next-generation materials, although identifying and characterizing these subnanomaterials in atomic detail remains a substantial challenge because of the severely weak signal intensity for the conventional analytical methods. Here, we report a subnanosensitive vibrational technique established based on the surface-enhanced Raman spectroscopy, demonstrating the first-ever detailed vibrational characterization of subnanomaterials. Furthermore, combining with density functional theory calculations, we reveal that inherent surface structures of the tin oxide subnanoclusters determine the size-specific spectral and catalytic characteristics of these clusters. The high-sensitivity characterization methodology elaborated here can provide a comprehensive understanding of the chemical and structural natures of subnanomaterials, which facilitate the rational design of subnanomaterials on the atomic scale for practical applications, such as in catalysts, biosensors, and electronics.

scholarly journals Surface-enhanced Raman spectroscopy at single-molecule scale and its implications in biology

2013 ◽  
Vol 368 (1611) ◽  
pp. 20120026 ◽  
Author(s):  
Yuling Wang ◽  
Joseph Irudayaraj
Keyword(s):  
Raman Spectroscopy ◽  
Single Molecule ◽  
Surface Enhanced Raman Spectroscopy ◽  
Biomedical Sciences ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Raman Measurement ◽  
Low Levels ◽  
Exciting Area ◽  
Significant Opportunity

Single-molecule (SM) spectroscopy has been an exciting area of research offering significant promise and hope in the field of sensor development to detect targets at ultra-low levels down to SM resolution. To the experts and developers in the field of surface-enhanced Raman spectroscopy (SERS), this has often been a challenge and a significant opportunity for exploration. Needless to say, the opportunities and excitement of this multidisciplinary area impacts span the fields of physics, chemistry and engineering, along with a significant thrust in applications constituting areas in medicine, biology, environment and agriculture among others. In this review, we will attempt to provide a quick snapshot of the basics of SM-SERS, nanostructures and devices that can enable SM Raman measurement. We will conclude with a discussion on SERS implications in biomedical sciences.

Sign in / Sign up

Export Citation Format

Share Document