Using structure-based organic chemistry online tutorials with automated correction for student practice and review

This article describes the development and implementation of an open-access organic chemistry question bank for online tutorials and assessments at University College Cork and Dublin Institute of Technology. SOCOT (structure-based organic chemistry online tutorials) may be used to supplement traditional small-group tutorials, thereby allowing students to develop essential problem-solving skills in organic chemistry. This online approach may be used for both formative and summative assessment. Students complete one problem set weekly or fortnightly, which consists of a number of questions of varying difficulty. A wide range of question types is possible; for example, prediction of reaction products, identification of reaction intermediates or reagents, and retrosynthetic analyses. Questions involving stereochemistry may be also be incorporated. The implementation is described, along with several sample questions and advice for creating questions. This approach is suitable for all levels of undergraduates, from introductory nonmajors to final-year chemistry students. Student feedback was overwhelmingly positive, and in particular, students found SOCOT to be a quite useful tool for review purposes. Our approach uses MarvinSketch, which is free for academic purposes, and the SMILES algorithm, which converts chemical structures into a text string and is compatible with any learning management system

Ninth and Tenth Order Virial Coefficients for Hard Spheres in D Dimensions

We evaluate the virial coefficients B_k for k<=10 for hard spheres in dimensions D=2,...,8. Virial coefficients with k even are found to be negative when D>=5. This provides strong evidence that the leading singularity for the virial series lies away from the positive real axis when D>=5. Further analysis provides evidence that negative virial coefficients will be seen for some k>10 for D=4, and there is a distinct possibility that negative virial coefficients will also eventually occur for D=3.Comment: 33 pages, 12 figure

Microfluidic Isolation of Neuronal-Enriched Extracellular Vesicles Shows Distinct and Common Neurological Proteins in Long COVID, HIV Infection and Alzheimer’s Disease

Long COVID (LongC) is associated with a myriad of symptoms including cognitive impairment. We reported at the beginning of the COVID-19 pandemic that neuronal-enriched or L1CAM+ extracellular vesicles (nEVs) from people with LongC contained proteins associated with Alzheimer’s disease (AD). Since that time, a subset of people with prior COVID infection continue to report neurological problems more than three months after infection. Blood markers to better characterize LongC are elusive. To further identify neuronal proteins associated with LongC, we maximized the number of nEVs isolated from plasma by developing a hybrid EV Microfluidic Affinity Purification (EV-MAP) technique. We isolated nEVs from people with LongC and neurological complaints, AD, and HIV infection with mild cognitive impairment. Using the OLINK platform that assesses 384 neurological proteins, we identified 11 significant proteins increased in LongC and 2 decreased (BST1, GGT1). Fourteen proteins were increased in AD and forty proteins associated with HIV cognitive impairment were elevated with one decreased (IVD). One common protein (BST1) was decreased in LongC and increased in HIV. Six proteins (MIF, ENO1, MESD, NUDT5, TNFSF14 and FYB1) were expressed in both LongC and AD and no proteins were common to HIV and AD. This study begins to identify differences and similarities in the neuronal response to LongC versus AD and HIV infection

Density functional studies of solvation forces in hard sphere polymer solutions confined between adsorbing walls. I. Solvent effects and dependence on surface potential range.

Solvation forces between large surfaces in athermal polymer solutions, in which both solvent particles and polymers are adsorbed at the surfaces, are studied with density functional theory. We investigate how the range of the surface potential affects the net interaction between the surfaces. Predictions from treatments in which the solvent is explicitly induced are compared with those obtained with more approximate models, where the solvent is either neglected, or enters the description implicitly. The results are interpreted via comparisons with simpler model systems. It is shown that a long-ranged surface potential, acting equally on monomers and solvent, leads to a solvent dominated repulsive solvation force, while polymer specific contributions dominate the net interactions when the adsorption potential has a short range. Effects of preferential polymer adsorption are also investigated. ©2003 American Institute of Physics