Synergistic Attention-Guided Cascaded Graph Diffusion Model for Complementarity Determining Region Synthesis.

Complementarity determining region (CDR) is a specific region in antibody molecules that binds to antigens, where a small portion of residues undergoes particularly pronounced variations. Generating CDRs with high affinity and specificity is a pivotal milestone in accelerating drug development for daunting and unresolved diseases. However, existing approaches predominantly center on characterizing the attributes of residues through sequential generation models, thus falling short in effectively modeling the intricate spatial correlations among residues and frequently succumbing to the trap of generating sequences that exhibit a high degree of arbitrariness.

A machine learning-based diagnosis modeling of IgG4 Hashimoto's thyroiditis.

Purpose: This study aims to develop a non-invasive diagnosis model using machine learning (ML) for identifying high-risk IgG4 Hashimoto's thyroiditis (HT) patients.

Methods: A retrospective cohort of 93 HT patients and a prospective cohort of 179 HT patients were collected. According to the immunohistochemical and pathological results, the patients were divided into IgG4 HT group and non-IgG4 HT group.

Crystal Orientation in Pt-Based Alloys Induced by W(CO): Driving Oxygen Electroreduction Catalysis.

Integrating crystal orientation as well as structural and compositional advantages into one catalyst might be a promising strategy for high-performance Pt-based catalysts for proton-exchange membrane fuel cells. Herein, by introducing W(CO) as a structure-oriented template, Pt-based alloys with a well-defined crystal orientation along the (111) facet were obtained. The oxygen reduction reaction mass and specific activities of the crystal-facet-tuned alloys reach a new level.

Machine learning to predict clinical remission in depressed patients after acute phase selective serotonin reuptake inhibitor treatment.

Objective: Selective serotonin reuptake inhibitors (SSRIs) are suggested as the first-line treatment for patients with major depressive disorder (MDD), but the remission rate is unsatisfactory. We aimed to establish machine learning models and explore variables available at baseline to predict the 8-week outcome among patients taking SSRIs.

Methods: Data from 400 patients were used to build machine learnings.

Glycolipid GD3 and GD3 synthase are key drivers for glioblastoma stem cells and tumorigenicity.

The cancer stem cells (CSCs) of glioblastoma multiforme (GBM), a grade IV astrocytoma, have been enriched by the expressed marker CD133. However, recent studies have shown that CD133(-) cells also possess tumor-initiating potential. By analysis of gangliosides on various cells, we show that ganglioside D3 (GD3) is overexpressed on eight neurospheres and tumor cells; in combination with CD133, the sorted cells exhibit a higher expression of stemness genes and self-renewal potential; and as few as six cells will form neurospheres and 20-30 cells will grow tumor in mice.

Stage-specific embryonic antigen-4 as a potential therapeutic target in glioblastoma multiforme and other cancers.

Glioblastoma multiforme (GBM), the grade IV astrocytoma, is the most common and aggressive brain tumor in adults. Despite advances in medical management, the survival rate of GBM patients remains poor, suggesting that identification of GBM-specific targets for therapeutic development is urgently needed. Analysis of several glycan antigens on GBM cell lines revealed that eight of 11 GBM cell lines are positive for stage-specific embryonic antigen-4 (SSEA-4), and immunohistochemical staining confirmed that 38/55 (69%) of human GBM specimens, but not normal brain tissue, were SSEA-4(+) and correlated with high-grade astrocytoma.

Redox regulation of the protein tyrosine phosphatase PTP1B in cancer cells.

The oxidation and inactivation of protein tyrosine phosphatases is one mechanism by which reactive oxygen species influence tyrosine phosphorylation-dependent signaling events and exert their biological functions. In the present study, we determined the redox status of endogenous protein tyrosine phosphatases in HepG2 and A431 human cancer cells, in which reactive oxygen species are produced constitutively. We used mass spectrometry to assess the state of oxidation of the catalytic cysteine residue of endogenous PTP1B and show that this residue underwent both reversible and irreversible oxidation to high stoichiometry in response to intrinsic reactive oxygen species production.