Polu PR.
Crit Rev Anal Chem
PMID:42010462
Free PMC article
The convergence of artificial intelligence and chemometrics has revolutionized multi-omics data integration, enabling unprecedented insights into complex biological systems. This critical review examines AI-driven approaches for integrating genomics, proteomics, metabolomics, and other omics layers, emphasizing developments from 2020 to 2025. We explore fundamental multi-omics challenges including batch effects, high dimensionality, and structural heterogeneity, evaluating how classical chemometric methods have evolved into sophisticated deep learning architectures. Convolutional neural networks, autoencoders, variational autoencoders, and graph neural networks demonstrate remarkable capabilities for non-linear feature extraction and data fusion. Explainable AI frameworks including SHAP and LIME address interpretability concerns critical for analytical chemistry. We review vertical and horizontal integration strategies, highlighting transformer-based attention mechanisms and biological network-informed architectures. Clinical applications in Alzheimer's disease, obesity, and cancer demonstrate 20%-30% performance improvements over traditional approaches. Emerging hyphenated techniques coupling microfluidics with mass spectrometry enable miniaturized analyses. Persistent challenges include computational scalability, overfitting mitigation, regulatory validation gaps, and interdisciplinary collaboration barriers. Future directions encompass federated learning for privacy-preserving analyses, quantum computing applications, and single-cell spatial multi-omics at subcellular resolution. This assessment provides analytical chemists with critical evaluation of available tools, benchmarking strategies, and roadmaps for advancing precision medicine and analytical applications.
Peng L, Yao Y, Li M, Ji X, Cao J, Zhang J, Zhong F, Yang X, Hu X.
Analyst
PMID:41801140
Free PMC article
Chloramphenicol (CAP), a broad-spectrum antibiotic banned in food animals due to its toxic effects ( e.g. , myelosuppression), requires sensitive analytical methods for the detection and monitoring of its residues in food. Herein, an aptamer-functionalized magnetic MOF composite (CAP-Apt@MMIL-53(Al)-NH 2 ) was prepared, coupled with a HPLC method developed for CAP detection. The material was synthesized as follows: solvothermally prepared Fe 3 O 4 particles were coated with SiO 2 , modified with mercaptoacetic acid, and self-assembled with Al 3+ and 2-aminoterephthalic acid to form MMIL-53(Al)-NH 2 . Its porous framework and abundant amino sites enable efficient mass transfer and aptamer immobilization. CAP aptamers were then covalently bonded to its surface amino sites, yielding CAP-Apt@MMIL-53(Al)-NH 2 with high selectivity. Notably, the material reaches extraction equilibrium within 5 minutes, with 2.2-fold higher efficiency than MMIL-53(Al)-NH 2 and 2.5-5.8-fold higher efficiency than traditional adsorbents, and exhibits significantly reduced post-extraction chromatographic interference. The analytical method exhibited a linear range of 10-1000 μg L -1 ( R 2 = 0.998) and an LOD of 4.89 μg L -1 . Applied to milk and honey, it yielded recoveries of 84.3%-110.1% and 88.0%-118.0%, respectively. This approach enables rapid, selective, and sensitive detection of trace CAP in complex food matrices, providing a novel strategy for food safety monitoring of CAP residues.
Azzoug L, Novak A, Meudal H, Madinier J, Charpentier S, Loth K, Morisset-Lopez S, Pifferi C, Aucagne V.
Chem Sci
PMID:PMC13085933
Free PMC article
Yuan G, Zhu X, Zhang L, Wang X, Wang Y, Guo D, Zhang T, Wang G, Wang N.
Front Plant Sci
PMID:PMC13083072
Free PMC article
Raunegger T, Wasserer S, Eigemann J, Hillig C, Aydin G, Kurzen N, Schmidt-Weber CB, Menden MP, Garzorz-Stark N, Weßels I, Eyerich S, Eyerich K, Biedermann T, Lauffer F, Jargosch M.
Br J Dermatol
PMID:42008715
Free PMC article
Background Psoriasis is a non-communicable inflammatory skin disease that affects approximately 2%-3% of the world's population. Given its high impact on quality of life and the fact that a subset of patients exhibits suboptimal or secondary loss of response to current treatments, identifying new therapeutic strategies is crucial. Proliferation-associated protein 2G4 (PA2G4) is a transcription factor that has been exclusively studied in cancer research, where it promotes cell growth and enhances tumourigenesis by inhibiting apoptosis. However, its role in inflammatory skin diseases remains largely unknown. Objectives This study focused on the pathophysiological and immunological functions of PA2G4 in psoriasis and evaluated its potential as a therapeutic target. Methods Bulk, single-cell, and spatial RNA sequencing combined with immunohistochemistry were used to assess PA2G4 expression in psoriatic skin compared with that in non-lesional controls. Functional studies were performed in primary human keratinocytes and reconstructed human epidermis (RHE) models using the CRISPR/Cas9-mediated knockout (KO) of PA2G4 and pharmacological inhibition of PA2G4 with the small-molecule WS6. The regulatory effects of PA2G4 on cellular processes, such as proliferation, differentiation, and survival, were investigated using RNA-seq, western blot analysis, scratch assays, and annexin V staining. Results PA2G4 was highly abundant in psoriasis, and its expression was predominantly restricted to basal proliferating keratinocytes. Its gene expression is positively correlated with psoriasis severity, the degree of acanthosis, neutrophil infiltration, and genes which are upregulated in psoriasis. PA2G4 KO in primary human keratinocytes activated differentiation pathways while suppressing proliferation pathways, resulting in the downregulation of proliferation- and inflammation-related genes (e.g. MKI67, IL20, VEGFA, and HIF1A) and the upregulation of differentiation and cell adhesion markers (e.g. KRT6C, LCE2C, and DSG4). Functionally, the PA2G4 KO reduced keratinocyte proliferation in scratch assays, attenuated interleukin-22-induced acanthosis in RHE models, and promoted keratinocyte death. Pharmacological inhibition of PA2G4 using the small-molecule inhibitor WS6 similarly downregulated genes associated with proliferation and cell survival. Conclusions PA2G4 could promote keratinocyte hyperproliferation and survival in psoriasis, thereby critically influencing epidermal homeostasis. Therefore, inhibition of PA2G4 may represent a new treatment option for psoriasis.
