Modulate Molecular Interaction between Hole Extraction Polymers and Lead Ions toward Hysteresis-Free and Efficient Perovskite Solar Cells

Herein three polymeric hole extraction materials (HEMs), poly(benzene‐dithiophene) (PB2T)‐O, PB2T‐S, and PB2T‐SO are presented for p–i–n perovskite solar cells (PVSCs). This study reveals that the perovskite device hysteresis and performance heavily rely on the perovskite grain boundary conditions. More specifically, they are predetermined through the molecular interaction between Lewis base atoms of HEMs and perovskites. It is revealed that only changing the side chain terminals (-OCH_3, -SCH_3, and –SOCH_3) of HEMs results in effective modulating PVSC performance and hysteresis, due to the effective tune of interaction strength between HEM and perovskite. With an in situ grown perovskite‐HEM bulk heterojunction structure, PB2T‐O with weak binding group (-OCH_3, −78.9 kcal mol^(−1) bonding energy) to lead ions allows delivering hysteresis‐free and efficient devices, which is sharp contrast to the strong binding PB2T‐SO (−119.3 kcal mol^(−1) bonding energy). Overall, this work provides new insights on PVSC hysteresis and the related curing methods via multifunctional HEM design in PVSCs

A Nanoparticle Approach towards Morphology Controlled Organic Photovoltaics (OPV)

polymer

A gene expression signature distinguishes innate response and resistance to proteasome inhibitors in multiple myeloma

Extensive interindividual variation in response to chemotherapy is a major stumbling block in achieving desirable efficacy in the treatment of cancers, including multiple myeloma (MM). In this study, our goal was to develop a gene expression signature that predicts response specific to proteasome inhibitor (PI) treatment in MM. Using a well-characterized panel of human myeloma cell lines (HMCLs) representing the biological and genetic heterogeneity of MM, we created an in vitro chemosensitivity profile in response to treatment with the four PIs bortezomib, carfilzomib, ixazomib and oprozomib as single agents. Gene expression profiling was performed using next-generation high-throughput RNA-sequencing. Applying machine learning-based computational approaches including the supervised ensemble learning methods Random forest and Random survival forest, we identified a 42-gene expression signature that could not only distinguish good and poor PI response in the HMCL panel, but could also be successfully applied to four different clinical data sets on MM patients undergoing PI-based chemotherapy to distinguish between extraordinary (good and poor) outcomes. Our results demonstrate the use of in vitro modeling and machine learning-based approaches to establish predictive biomarkers of response and resistance to drugs that may serve to better direct myeloma patient treatment options

SpanGNN: Towards Memory-Efficient Graph Neural Networks via Spanning Subgraph Training

Graph Neural Networks (GNNs) have superior capability in learning graph data. Full-graph GNN training generally has high accuracy, however, it suffers from large peak memory usage and encounters the Out-of-Memory problem when handling large graphs. To address this memory problem, a popular solution is mini-batch GNN training. However, mini-batch GNN training increases the training variance and sacrifices the model accuracy. In this paper, we propose a new memory-efficient GNN training method using spanning subgraph, called SpanGNN. SpanGNN trains GNN models over a sequence of spanning subgraphs, which are constructed from empty structure. To overcome the excessive peak memory consumption problem, SpanGNN selects a set of edges from the original graph to incrementally update the spanning subgraph between every epoch. To ensure the model accuracy, we introduce two types of edge sampling strategies (i.e., variance-reduced and noise-reduced), and help SpanGNN select high-quality edges for the GNN learning. We conduct experiments with SpanGNN on widely used datasets, demonstrating SpanGNN's advantages in the model performance and low peak memory usage

Pan-Cancer Analysis of lncRNA Regulation Supports Their Targeting of Cancer Genes in Each Tumor Context

Long noncoding RNAs (lncRNAs) are commonly dys-regulated in tumors, but only a handful are known toplay pathophysiological roles in cancer. We inferredlncRNAs that dysregulate cancer pathways, onco-genes, and tumor suppressors (cancer genes) bymodeling their effects on the activity of transcriptionfactors, RNA-binding proteins, and microRNAs in5,185 TCGA tumors and 1,019 ENCODE assays.Our predictions included hundreds of candidateonco- and tumor-suppressor lncRNAs (cancerlncRNAs) whose somatic alterations account for thedysregulation of dozens of cancer genes and path-ways in each of 14 tumor contexts. To demonstrateproof of concept, we showed that perturbations tar-geting OIP5-AS1 (an inferred tumor suppressor) andTUG1 and WT1-AS (inferred onco-lncRNAs) dysre-gulated cancer genes and altered proliferation ofbreast and gynecologic cancer cells. Our analysis in-dicates that, although most lncRNAs are dysregu-lated in a tumor-specific manner, some, includingOIP5-AS1, TUG1, NEAT1, MEG3, and TSIX, synergis-tically dysregulate cancer pathways in multiple tumorcontexts

Genomic, Pathway Network, and Immunologic Features Distinguishing Squamous Carcinomas

This integrated, multiplatform PanCancer Atlas study co-mapped and identified distinguishing molecular features of squamous cell carcinomas (SCCs) from five sites associated with smokin

Spatial Organization and Molecular Correlation of Tumor-Infiltrating Lymphocytes Using Deep Learning on Pathology Images

Beyond sample curation and basic pathologic characterization, the digitized H&E-stained images of TCGA samples remain underutilized. To highlight this resource, we present mappings of tumorinfiltrating lymphocytes (TILs) based on H&E images from 13 TCGA tumor types. These TIL maps are derived through computational staining using a convolutional neural network trained to classify patches of images. Affinity propagation revealed local spatial structure in TIL patterns and correlation with overall survival. TIL map structural patterns were grouped using standard histopathological parameters. These patterns are enriched in particular T cell subpopulations derived from molecular measures. TIL densities and spatial structure were differentially enriched among tumor types, immune subtypes, and tumor molecular subtypes, implying that spatial infiltrate state could reflect particular tumor cell aberration states. Obtaining spatial lymphocytic patterns linked to the rich genomic characterization of TCGA samples demonstrates one use for the TCGA image archives with insights into the tumor-immune microenvironment

Pan-cancer Alterations of the MYC Oncogene and Its Proximal Network across the Cancer Genome Atlas

Although theMYConcogene has been implicated incancer, a systematic assessment of alterations ofMYC, related transcription factors, and co-regulatoryproteins, forming the proximal MYC network (PMN),across human cancers is lacking. Using computa-tional approaches, we define genomic and proteo-mic features associated with MYC and the PMNacross the 33 cancers of The Cancer Genome Atlas.Pan-cancer, 28% of all samples had at least one ofthe MYC paralogs amplified. In contrast, the MYCantagonists MGA and MNT were the most frequentlymutated or deleted members, proposing a roleas tumor suppressors.MYCalterations were mutu-ally exclusive withPIK3CA,PTEN,APC,orBRAFalterations, suggesting that MYC is a distinct onco-genic driver. Expression analysis revealed MYC-associated pathways in tumor subtypes, such asimmune response and growth factor signaling; chro-matin, translation, and DNA replication/repair wereconserved pan-cancer. This analysis reveals insightsinto MYC biology and is a reference for biomarkersand therapeutics for cancers with alterations ofMYC or the PMN