44 hasil untuk "Chen, Linjiang"
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Artikel Jurnal Teks lengkap
Neonatal retinal hemorrhage and retinopathy of prematurity: a critical review of current practices and future directions
Neonatal retinal hemorrhage (RH) and retinopathy of prematurity (ROP) are significant causes of visual impairment in preterm infants, necessitating effective diagnostic and therapeutic strategies. This review synthesizes current approaches to RH and ROP management, highlighting their limitations…
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Artikel Jurnal Teks lengkap
First-principles computational investigation of nitrogen-doped carbon nanotubes as anode materials for lithium-ion and potassium-ion batteries
Significant research efforts, mostly experimental, have been devoted to finding high-performance anode materials for lithium-ion and potassium-ion batteries; both graphitic carbon-based and carbon nanotube-based materials have been generating huge interest. Here, first-principles calculations are…
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Artikel Jurnal Teks lengkap
Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents
[Image: see text] The optical, electronic, and (photo) catalytic properties of covalent organic frameworks (COFs) are largely determined by their electronic structure and, specifically, by their Frontier conduction and valence bands (VBs). In this work, we establish a transparent relationship…
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Artikel Jurnal Teks lengkap
Analysis and prediction in SCR experiments using GPT-4 with an effective chain-of-thought prompting strategy
This study explores the use of large language models (LLMs) in interpreting and predicting experimental outcomes based on given experimental variables, leveraging the human-like reasoning and inference capabilities of LLMs, using selective catalytic reduction of NO(x) with NH(3) as a case study. We…
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Artikel Jurnal Teks lengkap
HHV-6B- and HHV-7-associated choroiditis secondary to acute myelogenous leukemia: a case report
We report a case of human herpes virus 6 (HHV-6)- and human herpes virus 7 (HHV-7)-associated choroiditis in an immunocompromised woman. A 42-year-old Chinese woman with a history of acute myelogenous leukemia presented with blurred vision and black floaters in her right eye. Anterior segment…
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Artikel Jurnal Teks lengkap
APAF1 Silencing Ameliorates Diabetic Retinopathy by Suppressing Inflammation, Oxidative Stress, and Caspase-3/GSDME-Dependent Pyroptosis
OBJECTIVE: Diabetic retinopathy (DR) can cause permanent blindness with unstated pathogenesis. We aim to find novel biomarkers and explore the mechanism of apoptotic protease activating factor 1 (APAF1) in DR. METHODS: Differential expression genes (DEGs) were screened based on GSE60436 dataset to…
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Artikel Jurnal Teks lengkap
Geometric landscapes for material discovery within energy–structure–function maps
Porous molecular crystals are an emerging class of porous materials formed by crystallisation of molecules with weak intermolecular interactions, which distinguishes them from extended nanoporous materials like metal–organic frameworks (MOFs). To aid discovery of porous molecular crystals for…
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Artikel Jurnal Teks lengkap
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps
While energy-structure-function (ESF) maps are a powerful new tool for in silico materials design, the cost of acquiring an ESF map for many properties is too high for routine integration into high-throughput virtual screening workflows. Here, we propose the next evolution of the ESF map. This uses…
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A machine learned potential for investigating single crystal to single crystal transformations in complex organic molecular systems
The packing of organic molecular crystals is often dominated by weak non-covalent interactions, making their in situ rearrangement under external stimuli challenging to understand. We investigate a pressure-induced single-crystal-to-single-crystal (SCSC) transformation between two polymorphs of…
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Preprint Teks lengkap
Latent Diffusion-Based 3D Molecular Recovery from Vibrational Spectra
Infrared (IR) spectroscopy, a type of vibrational spectroscopy, is widely used for molecular structure determination and provides critical structural information for chemists. However, existing approaches for recovering molecular structures from IR spectra typically rely on one-dimensional SMILES…
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In Silico Tuning of the Pore Surface Functionality in Al-MOFs for Trace CH(3)I Capture
[Image: see text] Aluminum (Al)-based metal–organic frameworks (MOFs) have been shown to have good stability toward γ irradiation, making them promising candidates for durable adsorbents for capturing volatile radioactive nuclides. In this work, we studied a series of existing Al-MOFs to capture…
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Artikel Jurnal Teks lengkap
Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules
We evaluate the effectiveness of fine-tuning GPT-3 for the prediction of electronic and functional properties of organic molecules. Our findings show that fine-tuned GPT-3 can successfully identify and distinguish between chemically meaningful patterns, and discern subtle differences among them…
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Artikel Jurnal Teks lengkap
Combining machine learning and high-throughput experimentation to discover photocatalytically active organic molecules
Light-absorbing organic molecules are useful components in photocatalysts, but it is difficult to formulate reliable structure–property design rules. More than 100 million unique chemical compounds are documented in the PubChem database, and a significant sub-set of these are π-conjugated…
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Artikel Jurnal Teks lengkap
Discovery of a molecular adsorbent for efficient CO(2)/CH(4) separation using a computation-ready experimental database of porous molecular materials
The development and sharing of computational databases for metal–organic frameworks (MOFs) and covalent organic frameworks (COFs) have significantly accelerated the exploration and application of these materials. Recently, molecular materials have emerged as a notable subclass of porous materials…
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Artikel Jurnal Teks lengkap
Understanding static, dynamic and cooperative porosity in molecular materials
The practical adsorption properties of molecular porous solids can be dominated by dynamic flexibility but these effects are still poorly understood. Here, we combine molecular simulations and experiments to rationalize the adsorption behavior of a flexible porous organic cage.
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Artikel Jurnal Teks lengkap
3D Cage COFs: A Dynamic Three-Dimensional Covalent Organic Framework with High-Connectivity Organic Cage Nodes
[Image: see text] Three-dimensional (3D) covalent organic frameworks (COFs) are rare because there is a limited choice of organic building blocks that offer multiple reactive sites in a polyhedral geometry. Here, we synthesized an organic cage molecule (Cage-6-NH(2)) that was used as a triangular…
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Artikel Jurnal Teks lengkap
Quantifying interactions in the active encounter complex of frustrated Lewis pairs
Sustainable catalysts based on main-group elements, such as frustrated Lewis pairs (FLPs), have emerged as alternatives to precious metal systems. The initial reaction of the Lewis acid, Lewis base and small molecule (e.g. H(2)) is formally termolecular, but the reaction is rationalised by the…
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Artikel Jurnal Teks lengkap
Dynamic guanidinium sulfate salt for selective carbon dioxide adsorption with negative pressure inflexion
Hydrogen bonds’ flexible distances and moderate strength entitle compounds to dynamic properties under external stimuli. Here we report multiple phase transitions and counter-intuitive CO(2) adsorption behavior of dynamic guanidinium sulfate (GS) salt assembled via hydrogen-bonds. Exploration based…
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Artikel Jurnal Teks lengkap
Pyrene‐cored covalent organic polymers by thiophene‐based isomers, their gas adsorption, and photophysical properties
Two new pyrene‐cored covalent organic polymers (COPs), CK‐COP‐1 and CK‐COP‐2, were synthesized via the one‐step polymerization of two thiophene‐based isomers, 1,3,6,8‐tetra(thiophene‐2‐yl) pyrene (L(1)) and 1,3,6,8‐tetra(thiophene‐3‐yl) pyrene (L(2)). The resulting pyrene‐cored COPs exhibit rather…
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Artikel Jurnal Teks lengkap
Pregabalin Mediates Retinal Ganglion Cell Survival From Retinal Ischemia/Reperfusion Injury Via the Akt/GSK3β/β-Catenin Signaling Pathway
PURPOSE: Progressive retinal ganglion cell (RGC) loss induced by retinal ischemia/reperfusion (RIR) injury leads to irreversible visual impairment. Pregabalin (PGB) is a promising drug for neurodegenerative diseases. However, with regard to RGC survival, its specific role and exact mechanism after…