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Related papers: Automated structure discovery for Tip Enhanced Ram…

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Dynamic surface-enhanced Raman spectroscopy (SERS) is nowadays one of the most interesting applications of SERS, in particular for single molecule studies. In fact, it enables the study of real-time processes at the molecular level. This…

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated…

Machine Learning · Computer Science 2019-11-13 Shion Honda , Shoi Shi , Hiroki R. Ueda

In this article, tip-enhanced Raman spectroscopy (TERS) is investigated as a precise method for analysis of biological samples. Using Finite Difference Time Domain (FDTD) simulation, it has been tried to design the required structures for…

Atomic Physics · Physics 2024-02-21 Fatemeh Sadat Khademi , Maryam Bahreini

Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…

The experimental limitations in the signal enhancement and spatial resolution in spectroscopic imaging have been always a challenging task in the application of near-field spectroscopy for nanostructured materials in the sub-diffraction…

Materials Science · Physics 2018-06-11 A. K. Sivadasan , Avinash Patsha , Achyut Maity , Tapas Kumar Chini , Sandip Dhara

Super-resolution microscopy, or nanoscopy, enables the use of fluorescent-based molecular localization tools to study molecular structure at the nanoscale level in the intact cell, bridging the mesoscale gap to classical structural biology…

Subcellular Processes · Quantitative Biology 2024-05-28 Ivan R. Nabi , Ben Cardoen , Ismail M. Khater , Guang Gao , Timothy H. Wong , Ghassan Hamarneh

Surface-enhanced Raman spectroscopy is a powerful and versatile sensing method with a detection limit down to the single molecule level. In this article, we demonstrate how topology optimization (TopOpt) can be used for designing surface…

Mesoscale and Nanoscale Physics · Physics 2021-08-25 Ying Pan , Rasmus E. Christiansen , Jerome Michon , Juejun Hu , Steven G. Johnson

In the present contribution, specifically designed single-stranded DNA (ssDNA) sequences composed of adenine and cytosine were used as nanometric rulers to target the maximum achievable spatial resolution of tip-enhanced Raman spectroscopy…

We exploit Surface-Enhanced Raman Scattering (SERS) to investigate aqueous droplets of genomic DNA deposited onto silver-coated silicon nanowires and we show that it is possible to efficiently discriminate between spectra of tumoral and…

Automatic extraction of chemical structures from scientific literature plays a crucial role in accelerating research across fields ranging from drug discovery to materials science. Patent documents, in particular, contain molecular…

Computer Vision and Pattern Recognition · Computer Science 2025-10-09 Lucas Morin , Gerhard Ingmar Meijer , Valéry Weber , Luc Van Gool , Peter W. J. Staar

Many efforts have been made to discover tumor-specific microenvironment elements (TMEs) from immunostained tissue sections. However, the identification of yet unknown but relevant TMEs from multiplex immunostained tissues remains a…

Computer Vision and Pattern Recognition · Computer Science 2021-03-26 Daniel Jiménez-Sánchez , Mikel Ariz , Hang Chang , Xavier Matias-Guiu , Carlos E. de Andrea , Carlos Ortiz-de-Solórzano

Automated experiments in 4D Scanning Transmission Electron Microscopy are implemented for rapid discovery of local structures, symmetry-breaking distortions, and internal electric and magnetic fields in complex materials. Deep kernel…

Materials Science · Physics 2022-04-22 Kevin M. Roccapriore , Ondrej Dyck , Mark P. Oxley , Maxim Ziatdinov , Sergei V. Kalinin

The nature of the interface in lateral heterostructures of 2D monolayer semiconductors including its composition, size, and heterogeneity critically impacts the functionalities it engenders on the 2D system for next-generation…

Photo-Induced Enhanced Raman Spectroscopy (PIERS) is a new surface enhanced Raman spectroscopy (SERS) modality with an order-of-magnitude Raman signal enhancement of adsorbed analytes over that of typical SERS substrates. Despite the…

Materials Science · Physics 2021-06-01 Junzhi Ye , Rakesh Arul , Michel K. Nieuwoudt , Junzhe Dong , Wei Gao , M. Cather Simpson

Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…

Materials Science · Physics 2016-05-24 Peter Mahler Larsen , Søren Schmidt , Jakob Schiøtz

For several decades, chemical knowledge has been published in written text, and there have been many attempts to make it accessible, for example, by transforming such natural language text to a structured format. Although the discovered…

Computer Vision and Pattern Recognition · Computer Science 2022-02-22 Sanghyun Yoo , Ohyun Kwon , Hoshik Lee

In-situ Electron Energy Loss Spectroscopy (EELS) is an instrumental technique that has traditionally been used to understand how the choice of materials processing has the ability to change local structure and composition. However, more…

Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Martijn Oldenhof , Edward De Brouwer , Adam Arany , Yves Moreau

Spectroscopic analysis of large biomolecules is critical in a number of applications, including medical diagnostics and label-free biosensing. Recently, it has been shown that Raman spectroscopy of proteins can be used to diagnose some…