Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.
With climate change and rising sea levels, south Brooklyn is exposed to massive flooding and intense precipitation. Previous research discovered that flooding shifts plant species distribution, decreases soil pH, and increases salt concentration, nitrogen, phosphorus, and potassium levels. The authors predicted a decreasing trend from Zone 1 to 6: high-pH, high-salt, and high-nutrients in more flood-prone areas to low-pH, low-salt, and low-nutrient in less flood-prone regions. They performed DNA barcoding to identify plant species inhabiting flood zones with expectations of decreasing salt tolerance and moisture uptake by plants' soil from Zones 1-6. Furthermore, they predicted an increase in invasive species, ultimately resulting in a decrease in biodiversity. After barcoding, they researched existing information regarding invasiveness, ideal soil, pH tolerance, and salt tolerance. They performed soil analyses to identify pH, nitrogen (N), phosphorus (P), and potassium (K) levels. For N and P levels, we discovered a general decreasing trend from Zone 1 to 6 with low and moderate statistical significance respectively. Previous studies found that soil moisture can increase N and P uptake, helping plants adopt efficient resource-use strategies and reduce water stress from flooding. Although characteristics of plants were distributed throughout all zones, demonstrating overall diversity, the soil analyses hinted at the possibility of a rising trend of plants adapting to the increase in flooding. Future expansive research is needed to comprehensively map these trends. Ultimately, investigating trends between flood zones and the prevalence of different species will assist in guiding solutions to weathering climate change and protecting biodiversity in Brooklyn.
Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.
In this study, with consideration for the increasing participation of high school students in indoor rowing, the authors analyzed World Indoor Rowing Championship data. Statistical analysis revealed two key features that can determine the performance of a rower as well as increasing competitiveness in nearly all categories considered. They conclude by offering a 2000-meter ergometer time distribution that can help junior rowers assess their current performance relative to the world competition.
In this article, the authors use datasets of professional and youth soccer players' movements to map and statistically compare them. Analysis compared movements that led to goals or no-goals and differences between pros and youth.
Powered by the sociological framework that exposure to television bleeds into social biases, limiting media representation of women and minority groups may lead to real-world implications and manifestations of racial and gender disparities. To address this phenomenon, the researchers in this article take a look at primetime fictional representation of minorities and women as lawyers and physicians and compare television representation to census data of the same groups within real-world legal and medical occupations. The authors maintain the hypothesis that representation of female and minority groups as television lawyers and doctors is lower than that of their white male counterparts relative to population demographics - a trend that they expect to also be reflected in actual practice. With fictional racial and gender inequalities and corresponding real-world trends highlighted within this article, the researchers call for address towards representation biases that reinforce each other in both fictional and non-fictional spheres.
One of the greatest challenges we face today is the sustainable production, storage, and distribution of electrical power. One emerging technology with great promise in this area is that of metal-air fuel cells—a long-term and reusable electricity storage system made from a reactive metal anode and a saline solution. In this study the authors tested several different types of metal to determine which was the most suitable for this application. They found that a fuel cell with a magnesium anode was superior to fuel cells made from aluminum or zinc, producing a voltage and current sufficient for real-world applications such as charging a mobile phone.
A common form of Acne is caused by a species of bacterium called Cutibacterium acnes. By using a predictive algorithm and structural analysis, the authors identified 5 small molecules with high affinity to growth factors in Catibacterium acnes. This has potential implications for supplemental skincare products.
Studying other galaxies can help us understand the origins of the universe. Here, the authors study a type of galaxies known as Green Peas gaining insights that could help inform our understanding of Lyman alpha emitters, one of the first types of galaxies that existed in the early universe.
Advancement in DNA sequencing technology has greatly increased our understanding about the role of bacteria in soil. The authors of this study examine the microbial content of soil samples taken from three locations in southern New Hampshire with varying pH and plant composition.