Multiplexed Spatial Profiling of Hodgkin Reed-Sternberg Cell Neighborhoods in Classic Hodgkin Lymphoma.

Purpose: Classic Hodgkin lymphoma (cHL) is a B-cell lymphoma that occurs primarily in young adults and, less frequently, in elderly individuals. A hallmark of cHL is the exceptional scarcity (1%-5%) of the malignant Hodgkin Reed-Sternberg (HRS) cells within a network of nonmalignant immune cells. Molecular determinants governing the relationship between HRS cells and their proximal microenvironment remain largely unknown.

Determining best practices for using genetic algorithms in molecular discovery.

Genetic algorithms (GAs) are a powerful tool to search large chemical spaces for inverse molecular design. However, GAs have multiple hyperparameters that have not been thoroughly investigated for chemical space searches. In this tutorial, we examine the general effects of a number of hyperparameters, such as population size, elitism rate, selection method, mutation rate, and convergence criteria, on key GA performance metrics.

Computational evolution of high-performing unfused non-fullerene acceptors for organic solar cells.

Materials optimization for organic solar cells (OSCs) is a highly active field, with many approaches using empirical experimental synthesis, computational brute force to screen a subset of chemical space, or generative machine learning methods that often require significant training sets. While these methods may find high-performing materials, they can be inefficient and time-consuming. Genetic algorithms (GAs) are an alternative approach, allowing for the "virtual synthesis" of molecules and a prediction of their "fitness" for some property, with new candidates suggested based on good characteristics of previously generated molecules.

Organic Photovoltaic Efficiency Predictor: Data-Driven Models for Non-Fullerene Acceptor Organic Solar Cells.

In the design of organic solar cells, there has been a need for materials with high power conversion efficiencies. Scharber's model is commonly used to predict efficiency; however, it exhibits poor performance with new non-fullerene acceptor (NFA) devices, since it was designed for fullerene-based devices. In this work, an empirical model is proposed that can be a more accurate alternative for NFA organic solar cells.

The transformation of Caribbean coral communities since humans.

The mass die-off of Caribbean corals has transformed many of this region's reefs to macroalgal-dominated habitats since systematic monitoring began in the 1970s. Although attributed to a combination of local and global human stressors, the lack of long-term data on Caribbean reef coral communities has prevented a clear understanding of the causes and consequences of coral declines. We integrated paleoecological, historical, and modern survey data to track the occurrence of major coral species and life-history groups throughout the Caribbean from the prehuman period to the present.