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Multimodal Single-Cell Epigenomics: scATAC-seq + scRNA-seq WNN Integration

Author: Syed Nurul Hasan, Ph.D.
Affiliation: NYU Grossman School of Medicine (Ramasamy Lab)
Contact: nayanchoton1789@gmail.com | ORCID: 0000-0002-4564-872X


Overview

This repository demonstrates a complete end-to-end pipeline for multimodal single-cell analysis integrating scRNA-seq and scATAC-seq data from the same cells using 10x Genomics Multiome technology. The pipeline applies Weighted Nearest Neighbor (WNN) integration to jointly model gene expression and chromatin accessibility, enabling higher-resolution immune cell type identification than either modality alone.

The analytical framework here directly mirrors approaches used in the characterization of immune microenvironment dynamics in disease contexts — including leukemia, cardiovascular disease, and autoimmunity — where resolving transitional cell states at chromatin resolution is critical for identifying transcription factor (TF) networks driving immune cell reprogramming.


Scientific Motivation

Single-cell ATAC-seq (scATAC-seq) captures chromatin accessibility genome-wide, providing a window into the regulatory landscape of individual cells. When integrated with scRNA-seq via WNN:

  • Cells where chromatin is more informative receive higher ATAC weight
  • Cells where transcription is more informative receive higher RNA weight
  • The joint embedding resolves transitional immune states invisible to either modality alone
  • TF motif deviation scores (chromVAR) identify which regulatory programs are active per cell

This is particularly powerful for questions like:

What transcription factor networks drive non-classical monocyte reprogramming in disease?
How does chromatin accessibility change in immune cells across disease progression?
Which regulatory programs are pharmacologically accessible?


Pipeline Overview

10x Multiome Raw Data (PBMC)
        │
        ▼
1. Quality Control & Filtering
   ├── RNA: nFeature, nCount, % mitochondrial
   └── ATAC: TSS enrichment, nucleosome signal, peak counts
        │
        ▼
2. RNA Processing (Seurat)
   ├── Normalization (SCTransform)
   ├── PCA dimensionality reduction
   └── Initial RNA-based clustering
        │
        ▼
3. ATAC Processing (Signac + ArchR)
   ├── Peak calling (MACS2)
   ├── LSI dimensionality reduction
   ├── chromVAR TF motif deviation scores
   └── Gene activity score matrix
        │
        ▼
4. WNN Integration (Seurat)
   ├── Weighted Nearest Neighbor graph
   ├── Joint UMAP embedding
   └── WNN-based clustering
        │
        ▼
5. Biological Interpretation
   ├── Immune cell type annotation
   ├── Monocyte subpopulation resolution
   ├── TF motif enrichment per cluster
   ├── Peak-to-gene linkage analysis
   └── Cell-Cell Communication (CellChat)
        │
        ▼
6. Visualization & Export
   ├── UMAP plots (RNA, ATAC, WNN)
   ├── TF deviation heatmaps
   ├── Coverage plots at key loci
   └── Publication-ready figures

Key Features

Feature Tool Purpose
scRNA-seq processing Seurat v5 Normalization, PCA, clustering
scATAC-seq processing Signac Peak calling, LSI, chromatin QC
TF motif analysis chromVAR Per-cell TF deviation scores
WNN integration Seurat v5 Joint RNA+ATAC embedding
Gene activity Signac Imputed gene expression from ATAC
Peak-to-gene links Signac Regulatory element mapping
Cell communication CellChat Ligand-receptor network analysis
Visualization ggplot2, Nebulosa Publication-ready figures

Data

This pipeline uses the publicly available 10x Genomics PBMC Multiome dataset:

Why PBMC Multiome for immune biology:
PBMCs contain the same immune cell populations relevant to disease contexts — classical monocytes (CD14+), non-classical monocytes (CD16+), T cells, NK cells, B cells, and DCs. This dataset provides a clean baseline to validate multimodal integration approaches before applying them to disease specimens.


Repository Structure

scATAC-WNN-multimodal/
├── README.md                          # This file
├── R/
│   ├── 01_quality_control.R           # QC filtering for RNA and ATAC modalities
│   ├── 02_rna_processing.R            # SCTransform, PCA, RNA clustering
│   ├── 03_atac_processing.R           # Peak calling, LSI, chromVAR
│   ├── 04_wnn_integration.R           # WNN graph, joint UMAP, WNN clustering
│   ├── 05_cell_annotation.R           # Immune cell type annotation
│   ├── 06_tf_motif_analysis.R         # TF deviation scores, motif enrichment
│   ├── 07_peak_gene_links.R           # Peak-to-gene linkage analysis
│   └── 08_cellchat_communication.R    # Ligand-receptor network analysis
├── docs/
│   ├── pipeline_guide.md              # Step-by-step execution guide
│   └── biological_interpretation.md   # Interpreting TF motif results
├── figures/                           # Output figures directory
└── data/                              # Data directory (see download instructions)

Requirements

# Core packages
install.packages("Seurat")          # v5.0+
install.packages("Signac")          # v1.12+
BiocManager::install("chromVAR")
BiocManager::install("motifmatchr")
BiocManager::install("BSgenome.Hsapiens.UCSC.hg38")
BiocManager::install("JASPAR2020")
install.packages("CellChat")

# Visualization
install.packages("ggplot2")
install.packages("patchwork")
install.packages("viridis")
BiocManager::install("Nebulosa")

# Peak calling (system)
# conda install -c bioconda macs2

Quick Start

# Clone repository
# git clone https://github.com/syed1789/scATAC-WNN-multimodal

# Run pipeline sequentially
source("R/01_quality_control.R")
source("R/02_rna_processing.R")
source("R/03_atac_processing.R")
source("R/04_wnn_integration.R")
source("R/05_cell_annotation.R")
source("R/06_tf_motif_analysis.R")
source("R/07_peak_gene_links.R")
source("R/08_cellchat_communication.R")

Biological Context: Application to Disease Immunology

While this pipeline is demonstrated on healthy PBMCs, it was developed to address specific questions in disease immunology:

Leukemia immune microenvironment:
Non-classical monocytes (CD14dim CD16+) expand at B-ALL diagnosis and relapse and predict inferior patient survival (Witkowski et al., Cancer Cell 2020). The chromatin-level determinants of this expansion — which TF networks drive NCM emergence and sustain their pro-leukemic phenotype — remain unmapped. This pipeline provides the analytical framework to address that question using paired scRNA-seq + scATAC-seq on immune fractions from matched diagnosis/remission/relapse specimens.

Cardiovascular immunology:
Myeloid cell state transitions in ischemic and diabetic hearts drive immune-metabolic pathway dysregulation. WNN integration of paired RNA and ATAC data resolves transitional myeloid states invisible to transcriptomics alone, enabling identification of TF networks driving pathological immune remodeling.

Autoimmunity:
Regulatory T cell (Treg) transcriptional programs — including Bcl11b-dependent chromatin accessibility — are disrupted in autoimmune disease. scATAC-seq of Treg populations enables chromatin-level characterization of tolerance versus dysfunction, with direct implications for leukemia-associated Treg immunosuppression.


Key References

  1. Stuart T, et al. (2021). Multimodal single-cell chromatin analysis with Signac. Nature Methods, 18:1333–1341.
  2. Hao Y, et al. (2021). Integrated analysis of multimodal single-cell data. Cell, 184:3573–3587.
  3. Schep AN, et al. (2017). chromVAR: inferring transcription-factor-associated accessibility from single-cell epigenomic data. Nature Methods, 14:975–978.
  4. Witkowski MT, et al. (2020). Extensive remodeling of the immune microenvironment in B cell acute lymphoblastic leukemia. Cancer Cell, 37:867–882.
  5. Narang S, et al. (2024). Clonal evolution of the 3D chromatin landscape in patients with relapsed pediatric B-cell acute lymphoblastic leukemia. Nature Communications, 15:7425.

Related Work

This pipeline is part of a broader single-cell genomics portfolio developed during postdoctoral research at NYU Grossman School of Medicine:

  • scRNA-seq analysis: Seurat-based immune cell profiling in cardiac disease
  • Spatial transcriptomics: VisiumHD analysis of tissue immune architecture
  • Multi-omics integration: WNN pipeline for cardiac immune-metabolic interactions
  • Cell-cell communication: CellChat network modeling of myeloid-stromal interactions

For questions or collaboration inquiries: nayanchoton1789@gmail.com

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