Enzyme sequence optimisation via Gromov-Wasserstein Autoencoders integrating MSA techniques.

Enzyme sequence design has always been a challenging task, particularly in optimising key properties such as enzyme solubility, stability, and activity. This study proposes an innovative approach by utilising a variational autoencoder (VAE) model integrated with the Gromov-Wasserstein (GW) distance for enzyme sequence optimisation. The GWAE model improves representation learning by using the GW distance, thereby generating functional variants with desired characteristics.

Global trends and hotspots in artificial intelligence for high myopia: a bibliometric analysis.

Purpose: This study aims to conduct a bibliometric analysis of global publications on the application of artificial intelligence (AI) in high myopia (HM).

Methods: We retrieved publications on AI in HM from the Web of Science Core Collection (WoSCC) database, MEDLINE and Chinese Science Citation Database (CSCD) with data up to 2024. The analysis focused on publication and citation trends, identifying key articles, influential countries, institutions, authors, and journals.

The global burden and attributable risk factor analysis of age-related macular degeneration in 204 countries and territories, 1990-2021.

Objectives: To report the global burden of age-related macular degeneration (AMD) and associated risk factors between 1990 and 2021 by age, sex, and sociodemographic index (SDI) and to investigate the influence of the COVID-19 pandemic on AMD burden.

Methods: Data on disability-adjusted life years (DALYs) of AMD were obtained from the Global Burden of Disease Study 2021. Joinpoint regression determined annual percentage change (APC) and average annual percentage change (AAPC).

Aging-enhanced autophagy activity promotes fibrotic progression via the TGF-β2/Smad signaling pathway in trabecular meshwork cells-a new insight from POAG.

Introduction: Glaucoma, a leading cause of irreversible blindness, is characterized by optic neuropathy and retinopathy, with primary open-angle glaucoma (POAG) being the most prevalent form. The primary pathogenic mechanism of POAG involves elevated intraocular pressure caused by chronic fibrosis of the trabecular meshwork (TM). Autophagy, a critical process for maintaining cellular homeostasis, has been implicated in fibrosis across various organs.

Effects of clear corneal incision location and morphology on corneal surgically induced astigmatism and higher-order aberrations after ICL V4c implantation.

Purpose: To evaluate the effects of clear corneal incision (CCI) location and morphology on corneal surgically induced astigmatism (SIA) and higher-order aberrations (HOAs) in patients receiving implantable collamer lens (ICL V4c) implantation.

Methods: This retrospective study classified right eyes that underwent ICL implantation into two groups based on temporal or superior CCI. The Pentacam HR analyzer was used to measure the corneal astigmatism and HOAs.

Theoretical Study of the Adsorption and Sensing Properties of Cr-Doped SnP Monolayer for Dissolved Characteristic Gases in Oil.

Dissolved gas analysis (DGA) is a vital method for the online detection of transformer operation state. The adsorption performance of a SnP monolayer modified by transition metal Cr regarding six characteristic gases (CO, CH, CH, CH, H, CH) dissolved in oil was studied. The study reveals the relevant adsorption and gas-sensing response mechanisms through calculations of the adsorption energy, density of states, differential charge density, energy gap, and recovery time.

Effective Identification and Highly Sensitive Quantification of Fructo-oligosaccharide Isomers with BiSe Nanosheet-Assisted Laser Desorption Ionization Mass Spectrometry.

The growing interest in fructo-oligosaccharides (FOSs) necessitates the effective monitoring of product quality. Identifying and quantifying FOS isomers from the same sources are challenging. Here, we report a new method using BiSe nanosheets as the matrix for matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS), achieving effective differentiation of oligosaccharide isomers through MALDI-MS/MS.

CTsynther: Contrastive Transformer Model for End-to-End Retrosynthesis Prediction.

Retrosynthesis prediction is a fundamental problem in organic chemistry and drug synthesis. We proposed an end-to-end deep learning model called CTsynther (Contrastive Transformer for single-step retrosynthesis prediction model) that could provide single-step retrosynthesis prediction without external reaction templates or specialized knowledge. The model introduced the concept of contrastive learning in Transformer architecture and employed a contrastive learning language representation model at the SMILES sentence level to enhance model inference by learning similarities and differences between various samples.

GraphGPT: A Graph Enhanced Generative Pretrained Transformer for Conditioned Molecular Generation.

Condition-based molecular generation can generate a large number of molecules with particular properties, expanding the virtual drug screening library, and accelerating the process of drug discovery. In this study, we combined a molecular graph structure and sequential representations using a generative pretrained transformer (GPT) architecture for generating molecules conditionally. The incorporation of graph structure information facilitated a better comprehension of molecular topological features, and the augmentation of a sequential contextual understanding of GPT architecture facilitated molecular generation.

A parabrachial to hypothalamic pathway mediates defensive behavior.

Defensive behaviors are critical for animal's survival. Both the paraventricular nucleus of the hypothalamus (PVN) and the parabrachial nucleus (PBN) have been shown to be involved in defensive behaviors. However, whether there are direct connections between them to mediate defensive behaviors remains unclear.