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Machine Learning Recognition of Artificial DNA Sequence with Quantum Tunneling Nanogap Junction.
J Phys Chem B
January 2025
Department of Chemistry, Indian Institute of Technology (IIT) Indore, Indore, Madhya Pradesh 453552, India.
Artificially synthesized DNA holds significant promise in addressing fundamental biochemical questions and driving advancements in biotechnology, genetics, and DNA digital data storage. Rapid and precise electric identification of these artificial DNA strands is crucial for their effective application. Herein, we present a comprehensive investigation into the electric recognition of eight artificial synthesized DNA (DNA and DNA) nucleobases using quantum tunneling transport and machine learning (ML) techniques.
View Article and Find Full Text PDFEncapsulation of fluorescent carbon dots into mesoporous SiO colloidal spheres by surface functionalization-assisted cooperative assembly for high-contrast latent fingerprint development.
Chemosphere
February 2025
State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures, School of Resources, Environment and Materials, Guangxi University, Nanning, 530004, Guangxi, China; College of Environmental Science and Engineering, North China Electric Power University, Beijing, 102206, China; Department of Chemistry, Imperial College London, 82 Wood Lane, London, W12 0BZ, UK. Electronic address:
Exploiting solid powder fluorescence holds significant potential in diverse domains including medicine and forensics. Conventional fingerprint detection methods often fall short due to low contrast, sensitivity, and high toxicity. To addressing these challenges, we present a novel method for latent fingerprint detection using fluorescent carbon dots (CDs) encapsulated into conventional or mesoporous SiO colloidal spheres (CD@SiO or CDs@m-SiO) through a surface functionalization-assisted cooperative assembly process.
View Article and Find Full Text PDFInternally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.
Chem Sci
January 2025
Department of Chemistry, College of Science, Center for Supramolecular Chemistry & Catalysis, Shanghai University 99 Shangda Road Shanghai 200444 P. R. China
A covalently bridged macrocycle (5) comprising two anthracene strands connected at the lactam positions of a diketopyrrolopyrrole (DPP) chromophore has been constructed. The crystal structure reveals that the central DPP chromophore is wrapped with the externally twisted bis-anthracene macrocycle. The internally bridged macrocycle architecture endows 5 with multifunctional properties.
View Article and Find Full Text PDF-Means Clustering in Fingerprint-Based Configuration Selection for Fitting Interatomic Potentials.
J Chem Theory Comput
December 2024
Department of Physics, Faculty of Mechanical Engineering, Czech Technical University in Prague, Technická 4, Prague 6 16607, Czech Republic.
In this study, we present a method for selecting an arbitrary number of distinct configurations from a larger data set by applying -means clustering to atomistic configuration fingerprints based on the CrystalNN model and radial distribution function (RDF). This approach improves the accuracy of fitting classical molecular dynamics interatomic potentials to density functional theory (DFT) data for both energies and forces while requiring fewer configurations than random selection. We demonstrate this improvement by fitting an embedded-atom method (EAM) potential for titanium, using various configurational sizes from an initial set of 1800 configurations.
View Article and Find Full Text PDFDonepezil hydrochloride fingerprint spectral and formation mechanism analysis.
Rev Sci Instrum
November 2024
The Center for Terahertz Waves, School of Precision Instrument and Opto-electronics Engineering, Tianjin University, Tianjin 300072, China.
Donepezil hydrochloride is a widely used medication for treating Alzheimer's disease. This study utilized terahertz time-domain spectroscopy to analyze the fingerprint spectra of donepezil hydrochloride, identifying five characteristic absorption peaks at 1.65, 2.
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