Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Acquisition of absorption and fluorescence spectral data using chatbots

Journal Article · · Digital Discovery
DOI:https://doi.org/10.1039/D4DD00255E· OSTI ID:2500989

Spectra – the lifeblood of photochemistry – have been very difficult to find in the literature. Chatbots, remarkably, may enable their more efficient acquisition and prove to be generally powerful tools for searching the scientific literature.

Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0025317
OSTI ID:
2500989
Journal Information:
Digital Discovery, Journal Name: Digital Discovery Journal Issue: 1 Vol. 4; ISSN DDIIAI; ISSN 2635-098X
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

References (79)

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra journal January 2019
An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes journal November 2012
Kinetics and mechanism of reaction of acridine orange with bromateion at low pH journal March 1995
1-Anilino-8-naphthalenesulfonate: A fluorescent probe of membrane surface structure, composition and mobility journal December 1974
Excited state properties of chlorophyll f in organic solvents at ambient and cryogenic temperatures journal February 2014
Absorption studies of acid-base equilibria of dye solutions journal December 1972
The use of fluorescent probes for the study of membranes book January 1974
Determination of accurate extinction coefficients and simultaneous equations for assaying chlorophylls a and b extracted with four different solvents: verification of the concentration of chlorophyll standards by atomic absorption spectroscopy journal August 1989
The interaction of a naphthalene dye with apomyoglobin and apohemoglobin journal September 1965
Energy transfer from thiacyanine to acridine orange facilitated by DNA journal August 1999
Extinction coefficient for red-shifted chlorophylls: Chlorophyll d and chlorophyll f journal August 2012
Evaluation of delocalized lipophilic cationic dyes as delivery vehicles for photosensitizers to mitochondria journal September 2009
Oxyphor 2P: A High-Performance Probe for Deep-Tissue Longitudinal Oxygen Imaging journal March 2019
A comparison of classifiers for predicting the class color of fluorescent proteins journal December 2019
Zero-shot information extraction from radiological reports using ChatGPT journal March 2024
Comprehensive review of photophysical parameters (ε, Φf, τs) of tetraphenylporphyrin (H2TPP) and zinc tetraphenylporphyrin (ZnTPP) – Critical benchmark molecules in photochemistry and photosynthesis journal March 2021
Beyond green with synthetic chlorophylls – Connecting structural features with spectral properties journal September 2022
Absorption and fluorescence spectra of open-chain tetrapyrrole pigments–bilirubins, biliverdins, phycobilins, and synthetic analogues journal June 2023
Can machine learning methods accurately predict the molar absorption coefficient of different classes of dyes? journal October 2022
Challenges in Information-Mining the Materials Literature: A Case Study and Perspective journal May 2022
Prediction of Molecular Electronic Transitions Using Random Forests journal October 2020
Machine Learning Enables Highly Accurate Predictions of Photophysical Properties of Organic Fluorescent Materials: Emission Wavelengths and Quantum Yields journal February 2021
Beyond Woodward–Fieser Rules: Design Principles of Property-Oriented Chromophores Based on Explainable Deep Learning Optical Spectroscopy journal April 2022
Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties journal February 2023
PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry journal May 2017
Heuristics from Modeling of Spectral Overlap in Förster Resonance Energy Transfer (FRET) journal November 2018
Graph Neural Networks for Learning Molecular Excitation Spectra journal June 2022
Digital Database of Absorption Spectra of Diverse Flavonoids Enables Structural Comparisons and Quantitative Evaluations journal February 2023
Synthesis and Spectral Properties of 8-Anilinonaphthalene-1-sulfonic Acid (ANS) Derivatives Prepared by Microwave-Assisted Copper(0)-Catalyzed Ullmann Reaction journal October 2019
Encapsulation of Various Guests by an Anionic In-Metal–Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal–Organic Framework journal September 2014
Zero-Overlap Fluorophores for Fluorescent Studies at Any Concentration journal June 2020
ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis journal August 2023
Long Excited-State Lifetimes in Three-Coordinate Copper(I) Complexes via Triplet–Triplet Energy Transfer to Pyrene-Decorated Isocyanides journal July 2024
Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design journal March 2021
Acridine orange association equilibrium in aqueous solution journal January 1984
Extracting accurate materials data from research papers with conversational language models and prompt engineering journal February 2024
Deep learning for development of organic optoelectronic devices: efficient prescreening of hosts and emitters in deep-blue fluorescent OLEDs journal July 2022
Comparative dataset of experimental and computational attributes of UV/vis absorption spectra journal December 2019
Experimental database of optical properties of organic compounds journal September 2020
Empirical assessment of ChatGPT’s answering capabilities in natural science and engineering journal February 2024
Aqueous–membrane partitioning of β-substituted porphyrins encompassing diverse polarity journal January 2013
Enhancement of aqueous stability and fluorescence brightness of indocyanine green using small calix[4]arene micelles for near-infrared fluorescence imaging journal January 2016
Predicting the emission wavelength of organic molecules using a combinatorial QSAR and machine learning approach journal January 2020
Tolyporphins A–R, unusual tetrapyrrole macrocycles in a cyanobacterium from Micronesia, assessed quantitatively from the culture HT-58-2 journal January 2021
Multi-fidelity prediction of molecular optical peaks with deep learning journal January 2022
Deep-blue high-efficiency triplet–triplet annihilation organic light-emitting diodes using hydroxyl-substituted tetraphenylimidazole-functionalized anthracene fluorescent emitters journal January 2022
Fine-tuning large language models for chemical text mining journal January 2024
Picosecond electronic energy-transfer studies in sodium dodecyl sulfate micelles journal January 1992
Domain-specific chatbots for science using embeddings journal October 2023
Image and data mining in reticular chemistry powered by GPT-4V journal January 2024
Flexible, model-agnostic method for materials data extraction from text using general purpose language models journal January 2024
Phyllobilins – Bioactive Natural Products Derived from Chlorophyll – Plant Origins, Structures, Absorption Spectra, and Biomedical Properties journal December 2022
The Absolute Quantum Yields of the Fluorescence of Chlorophyll Solutions journal August 1952
Spectral Resemblances of Cata‐Condensed Hydrocarbons journal May 1949
Electronic spectra from TDDFT and machine learning in chemical space journal August 2015
Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space journal October 2020
The fluorescence quantum yield parameter in Förster resonance energy transfer (FRET)—Meaning, misperception, and molecular design journal March 2021
Machine learning of molecular electronic properties in chemical compound space journal September 2013
The ultra-violet absorption spectra of some complex aromatic hydrocarbons-I
  • Mayneord, William Valentine; Roe, Edna, M. F.
  • Proceedings of the Royal Society of London. Series A - Mathematical and Physical Sciences, Vol. 152, Issue 876 https://doi.org/10.1098/rspa.1935.0193
journal November 1935
PhotochemCAD: A Computer-Aided Design and Research Tool in Photochemistry journal August 1998
PhotochemCAD 2: A Refined Program with Accompanying Spectral Databases for Photochemical Calculations¶ journal January 2005
Database of Absorption and Fluorescence Spectra of >300 Common Compounds for use in PhotochemCAD journal February 2018
PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases journal February 2018
Absorption and Fluorescence Spectral Database of Chlorophylls and Analogues journal November 2020
Performance of chatbots in queries concerning fundamental concepts in photochemistry journal November 2024
Red and near-infrared fluorophores inspired by chlorophylls: consideration of practical brightness in multicolor flow cytometry and biomedical sciences
  • Liu, Rui; Hu, Gongfang; Taniguchi, Masahiko
  • Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications X https://doi.org/10.1117/12.2302709
conference February 2018
Developing a user community in the photosciences: a website for spectral data and PhotochemCAD conference March 2019
Absorption and fluorescence spectra of organic compounds from 40 sources – archives, repositories, databases, and literature search engines
  • Taniguchi, Masahiko; Lindsey, Jonathan S.
  • Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XII https://doi.org/10.1117/12.2542859
conference March 2020
PhotochemCAD spectra viewer for web-based visualization of absorption and fluorescence spectra
  • Wu, Zhiyuan; Kittinger, Allison; Norcross, Ann E.
  • Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XIII https://doi.org/10.1117/12.2577840
conference March 2021
Digitization of print-based absorption and fluorescence spectra – extracting clarity from clutter
  • Taniguchi, Masahiko; Wu, Zhiyuan; Sterling, Caitlin
  • Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XIV https://doi.org/10.1117/12.2651694
conference March 2023
Light-scattering in absorption spectra: a literature survey of examples and corrections
  • Taniguchi, Masahiko; Lindsey, Jonathan S.
  • Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XV https://doi.org/10.1117/12.3000407
conference March 2024
A metal-free blue chromophore derived from plant pigments journal April 2020
Regularities of the photodestruction of acridine dyes in aqueous media journal February 2006
ChatGPT is a Remarkable Tool—For Experts journal February 2024
Note on the Polymerization of Dyes in Solution journal April 1957
Determination of the fluorescence quantum yield by oceanic phytoplankton in their natural habitat journal January 2000
Fluorescence Quantum Yields and Their Relation to Lifetimes of Rhodamine 6G and Fluorescein in Nine Solvents: Improved Absolute Standards for Quantum Yields¶ journal April 2002
ChatIE: Zero-Shot Information Extraction via Chatting with ChatGPT preprint January 2023
What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks preprint January 2023

Similar Records

Performance of chatbots in queries concerning fundamental concepts in photochemistry
Journal Article · Sun Nov 03 19:00:00 EST 2024 · Photochemistry and Photobiology · OSTI ID:2476069

Related Subjects