Topic Review
Structure-Based Virtual Screening
Molecular docking plays a significant role in early-stage drug discovery, from structure-based virtual screening (VS) to hit-to-lead optimization. VS is a computational approach used to identify chemical structures that are predicted to have particular properties. In drug discovery, it involves computationally searching large libraries of chemical structures to identify those structures that are most likely to bind to a target protein.
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  • 04 Aug 2022
Topic Review
Structure-Based Drug Design
The functionality of a protein is dependent upon its structure, and structure-based drug design (SBDD) relies on the 3D structural information of the target protein, which can be acquired from experimental methods, such as X-ray crystallography, NMR spectroscopy and cryo-electron microscopy (cryo-EM). The aim of SBDD is to predict the Gibbs free energy of binding (ΔGbind), the binding affinity of ligands to the binding site, by simulating the interactions between them.
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  • 09 Jan 2023
Topic Review
Structure of Piezoelectric Accelerometers
Compared with other types of sensors, piezoelectric accelerometers have the advantages of a large range, a wide-frequency band, a simple structure, stable performance, good output linearity, etc. The principle of a piezoelectric accelerometer is based on the property of the active element, and its structure is mainly composed of a mass block, a piezoelectric sensitive element, and a base.
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  • 28 Sep 2023
Topic Review
Structure of Oxide Perovskite
Materials crystalizing in the perovskite crystal structure are common crystals that are currently employed for multiples applications, including transistors, solar cells, light-emitting devices, memories, catalysts, and superconductors.One of the biggest players within the perovskite structures is the family of oxide perovskites. This is a prominent family with the general formula of ABO3, where A commonly designates an alkaline or rare earth metal cation, occupying the 12-fold coordinated cuboctahedral cages of the oxygen sub-lattice, and B stands for a transition-metal cation (e.g., Fe, Ni, Mn, Co, Cu, or Ti) coordinated with six oxygen atoms in an octahedral coordination. In fact, in the perovskite structure, distortions frequently occur due to the deviation from ideal values of ionic size ratios between the different A, B, and O sites of the crystal. In addition, A or B cations may have distinctive sizes and valences that could result into oxygen non-stoichiometry, involving both oxygen excess and/or oxygen deficiency.
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  • 24 Sep 2021
Topic Review
Structure of Humic Substances
Humic substances (HS) are dominant components of soil organic matter and are recognized as natural, effective growth promoters to be used in sustainable agriculture. In recent years, many efforts have been made to get insights on the relationship between HS chemical structure and their biological activity in plants using combinatory approaches. Relevant results highlight the existence of key functional groups in HS that might trigger positive local and systemic physiological responses via a complex network of hormone-like signaling pathways. The biological activity of HS finely relies on their dosage, origin, molecular size, degree of hydrophobicity and aromaticity, and spatial distribution of hydrophilic and hydrophobic domains. The molecular size of HS also impacts their mode of action in plants, as low molecular size HS can enter the root cells and directly elicit intracellular signals, while high molecular size HS bind to external cell receptors to induce molecular responses. Main targets of HS in plants are nutrient transporters, plasma membrane H+-ATPases, hormone routes, genes/enzymes involved in nitrogen assimilation, cell division, and development. 
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  • 08 May 2021
Topic Review
Structure of Endohedral Fullerenes
Fullerenes have a unique structure, capable of both encapsulating other molecules and reacting with those on the exterior surface. Fullerene derivatives have also been found to have enormous potential to address the challenges of the renewable energy sector and current environmental issues, such as in the production of n-type materials in bulk heterojunction solar cells, as antimicrobial agents, in photocatalytic water treatment processes, and in sensor technologies. Endohedral metallofullerenes, in particular, can possess unpaired electron spins, driven by the enclosed metal atom or cluster, which yield valuable magnetic properties. These properties have significant potential for applications in molecular magnets, spin probes, quantum computing, and devices such as quantum information processing,, atomic clocks, and molecular magnets. 
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  • 02 Feb 2024
Topic Review
Structure and Reaction Mechanism of Li-CO2 Batteries
A typical type of Li–CO2 battery consists of a porous cathode, electrolyte (liquid, solid), and lithium metal anode.
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  • 22 Jun 2022
Topic Review
Structure and Properties of Graphene Quantum Dots
Graphene quantum dot (GQD) is a new type of carbon nanometer material. In addition to the excellent properties of graphene, it is superior due to the quantum limit effect and edge effect. Because of its advantages such as water solution, strong fluorescent, small size, and low biological toxicity, it has important application potential in various fields, especially in sensors and biomedical areas, which are mainly used as optical electrical sensors as well as in biological imaging and tumor therapy. In addition, GQDs have very important characteristics, such as optical and electrical properties. There are many preparation methods, divided into top-down and bottom-up methods, which have different advantages and disadvantages, respectively. In addition, the modification methods include heterogeneous doping, surface heterogeneity, etc. 
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  • 17 Jan 2024
Topic Review
Structure and Properties of Gelatin
Gelatin is a natural biopolymer that is intrinsically biocompatible and biodegradable, has low immunogenicity, and is classified as Generally Recognized as Safe (GRAS) by the United States Food and Drug Administration (FDA). It consists of an amphoteric polymer that is derived from collagen by alkaline-, acid-, or heat-based hydrolysis.
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  • 24 May 2023
Topic Review
Structure and Immobilization of Aptamers
Aptamers are synthetically produced via a process known as systematic evolution of ligands by exponential enrichment (SELEX).
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  • 29 Apr 2022
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