Fingerprint-based deep neural networks can model thermodynamic and optical properties of eumelanin DHI dimers

Review Materials Science, Multidisciplinary

Polydopamine-based materials applied in Li-ion batteries: a review

Wenzhao Jiang et al.

Summary: Polydopamine-based materials have attracted increasing attention for electrochemical energy storage applications due to their unique chemical structural versatility and excellent adhesive properties.

JOURNAL OF MATERIALS SCIENCE (2021)

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Review Multidisciplinary Sciences

Melanins as Sustainable Resources for Advanced Biotechnological Applications

Hanaa A. Galeb et al.

Summary: Melanins are biopolymers with diverse origins, chemical compositions, and functions, offering opportunities for applications in materials science, particularly in medical and technical fields. Analytical techniques are crucial for studying melanins in multidisciplinary contexts, promoting their use as sustainable resources for advanced biotechnological applications and contributing to the achievement of the United Nations Sustainable Development Goals.

GLOBAL CHALLENGES (2021)

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Review Chemistry, Multidisciplinary

Unraveling the Structure and Function of Melanin through Synthesis

Wei Cao et al.

Summary: Melanin is a natural biomaterial with various functions found in living organisms, classified into different types based on chemical precursors. Despite its complexity and diversity in chemical structure, synthetic mimics have been used to study its structure-function relationships. Efforts are being made to elucidate biosynthetic pathways and characterize melanin materials for potential new opportunities in synthetic materials.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

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Article Chemistry, Multidisciplinary

Stability and Optical Absorption of a Comprehensive Virtual Library of Minimal Eumelanin Oligomer Models**

Jun Wang et al.

Summary: Eumelanin, composed of 5,6-dihydroxyindole (DHI) oligomers, is responsible for photoprotection in living organisms. A preference for oxidized, polycyclic structures has been found, along with stable structures involving quinone oxidation patterns, interfragment double bonds, and zwitterionic resonance structures. Melanin models will need to cover this structural diversity, with some stable oxidized dimers having low absorption energies that may contribute to the biopolymer's absorption spectrum.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Polymer Science

Understanding the way eumelanin works: A unique example of properties and skills driven by molecular heterogeneity

Maria Letizia Terranova et al.

Summary: Recent scientific discoveries and technological advancements in the field of eumelanin biopolymer have highlighted its unique characteristics and potential applications, including in biomedicine, electronics/optoelectronics, energy storage/delivery systems, bioremediation, and radioprotection. The complexity and diversity of eumelanin's properties pose both opportunities and challenges for its utilization in cutting-edge technologies.

POLYMER (2021)

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Review Chemistry, Multidisciplinary

Molecular excited states through a machine learning lens

Pavlo O. Dral et al.

Summary: This review assesses the application of machine learning in molecular excited-state simulations and highlights key issues for the future, demonstrating the potential of machine learning in predicting molecular properties, improving quantum mechanical methods, and searching for new materials.

NATURE REVIEWS CHEMISTRY (2021)

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Article Multidisciplinary Sciences

Artificial intelligence-enhanced quantum chemical method with broad applicability

Peikun Zheng et al.

Summary: AIQM1 is a general-purpose and highly transferable artificial intelligence-quantum mechanical method that can accurately calculate ground-state energies and geometries of organic compounds, including challenging systems like fullerene C-60. It combines artificial intelligence with quantum mechanics to provide a new method for computational chemistry simulations with high accuracy, speed and transferability.

NATURE COMMUNICATIONS (2021)

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Review Chemistry, Multidisciplinary