3D printing: Principles and pharmaceutical applications of selective laser sintering

Pharmaceutical three-dimensional (3D) printing is a modern fabrication process with the potential to create bespoke drug products of virtually any shape and size from a computer-aided design model. Selective laser sintering (SLS) 3D printing combines the benefits of high printing precision and capability, enabling the manufacture of medicines with unique engineering and functional properties. This article reviews the current state-of-the-art in SLS 3D printing, including the main principles underpinning this technology, and highlights the diverse selection of materials and essential parameters that influence printing. The technical challenges and processing conditions are also considered in the context of their effects on the printed product. Finally, the pharmaceutical applications of SLS 3D printing are covered, providing an emphasis on the advantages the technology offers to drug product manufacturing and personalised medicine

The Research Space: using the career paths of scholars to predict the evolution of the research output of individuals, institutions, and nations

In recent years scholars have built maps of science by connecting the academic fields that cite each other, are cited together, or that cite a similar literature. But since scholars cannot always publish in the fields they cite, or that cite them, these science maps are only rough proxies for the potential of a scholar, organization, or country, to enter a new academic field. Here we use a large dataset of scholarly publications disambiguated at the individual level to create a map of science-or research space-where links connect pairs of fields based on the probability that an individual has published in both of them. We find that the research space is a significantly more accurate predictor of the fields that individuals and organizations will enter in the future than citation based science maps. At the country level, however, the research space and citations based science maps are equally accurate. These findings show that data on career trajectories-the set of fields that individuals have previously published in-provide more accurate predictors of future research output for more focalized units-such as individuals or organizations-than citation based science maps

Exploration of Reaction Pathways and Chemical Transformation Networks

For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These approaches differ in their application range, the level of completeness of the exploration, as well as the amount of heuristics and human intervention required. Here, we describe and compare the different approaches based on these criteria. Future directions leveraging the strengths of chemical heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure

Adaptive GPU-accelerated force calculation for interactive rigid molecular docking using haptics

Molecular docking systems model and simulate in silico the interactions of intermolecular binding. Haptics-assisted docking enables the user to interact with the simulation via their sense of touch but a stringent time constraint on the computation of forces is imposed due to the sensitivity of the human haptic system. To simulate high fidelity smooth and stable feedback the haptic feedback loop should run at rates of 500 Hz to 1 kHz. We present an adaptive force calculation approach that can be executed in parallel on a wide range of Graphics Processing Units (GPUs) for interactive haptics-assisted docking with wider applicability to molecular simulations. Prior to the interactive session either a regular grid or an octree is selected according to the available GPU memory to determine the set of interatomic interactions within a cutoff distance. The total force is then calculated from this set. The approach can achieve force updates in less than 2 ms for molecular structures comprising hundreds of thousands of atoms each, with performance improvements of up to 90 times the speed of current CPU-based force calculation approaches used in interactive docking. Furthermore, it overcomes several computational limitations of previous approaches such as pre-computed force grids, and could potentially be used to model receptor flexibility at haptic refresh rates

Earth benefits from NASA research and technology. Life sciences applications

This document provides a representative sampling of examples of Earth benefits in life-sciences-related applications, primarily in the area of medicine and health care, but also in agricultural productivity, environmental monitoring and safety, and the environment. This brochure is not intended as an exhaustive listing, but as an overview to acquaint the reader with the breadth of areas in which the space life sciences have, in one way or another, contributed a unique perspective to the solution of problems on Earth. Most of the examples cited were derived directly from space life sciences research and technology. Some examples resulted from other space technologies, but have found important life sciences applications on Earth. And, finally, we have included several areas in which Earth benefits are anticipated from biomedical and biological research conducted in support of future human exploration missions

Index to Library Trends Volume 38

published or submitted for publicatio

Ethical Issues in Engineering Models: Personal Reflections

I start this contribution with an overview of my personal involvement—as an Operations Research consultant—in several engineering case-studies that may raise ethical questions; these case studies employ simulation models. Next, I present an overview of the recent literature on ethical issues in modeling, focusing on the validation of the model’s assumptions; the decisive role of these assumptions leads to the quest for robust models. Actually, models are meant to solve practical problems; these problems may have ethical implications for the various stakeholders; namely, modelers, clients, and the public at large. Finally, I briefly discuss whistle blowing.ethics;code of conduct;stakeholders;validity;risk analysis;simulation;operations research