MGOS: A library for molecular geometry and its operating system

The geometry of atomic arrangement underpins the structural understanding of molecules in many fields. However, no general framework of mathematical/computational theory for the geometry of atomic arrangement exists. Here we present "Molecular Geometry (MG)'' as a theoretical framework accompanied by "MG Operating System (MGOS)'' which consists of callable functions implementing the MG theory. MG allows researchers to model complicated molecular structure problems in terms of elementary yet standard notions of volume, area, etc. and MGOS frees them from the hard and tedious task of developing/implementing geometric algorithms so that they can focus more on their primary research issues. MG facilitates simpler modeling of molecular structure problems; MGOS functions can be conveniently embedded in application programs for the efficient and accurate solution of geometric queries involving atomic arrangements. The use of MGOS in problems involving spherical entities is akin to the use of math libraries in general purpose programming languages in science and engineering. (C) 2019 The Author(s). Published by Elsevier B.V

Quantum fluctuations and life

There have been many claims that quantum mechanics plays a key role in the origin and/or operation of biological organisms, beyond merely providing the basis for the shapes and sizes of biological molecules and their chemical affinities. These range from the suggestion by Schrodinger that quantum fluctuations produce mutations, to the conjecture by Hameroff and Penrose that quantum coherence in microtubules is linked to consciousness. I review some of these claims in this paper, and discuss the serious problem of decoherence. I advance some further conjectures about quantum information processing in bio-systems. Some possible experiments are suggested.Comment: 10 pages, no figures, conference pape

Saving the Appearances? C. S. Lewis’ Critique of Scientific Knowledge

C. S. Lewis’ witty and insightful criticisms of scientism is well known.What has been less noted is the critique that he made in several places, not of scientism but of science itself, or rather of aspects of the scientific enterprise as carried on in the tradition of the scientific revolution brought about by such men as Galileo and Bacon. It is a critique of science and of scientific knowledge that is much deeper and more interesting than a mere exposé of simplistic scientistic fundamentalism, necessary as that is. Lewis not only exhibited a less than favorable attitude toward the technological bias that seems inherent in modern science, but looked with some skepticism upon the knowledge claims of modern science, and, as we will see in his most developed evaluation of it, put forward ideas similar to those of the American philosopher and historian of science, Thomas Kuhn

LMSD: LIPID MAPS structure database

The LIPID MAPS Structure Database (LMSD) is a relational database encompassing structures and annotations of biologically relevant lipids. Structures of lipids in the database come from four sources: (i) LIPID MAPS Consortium's core laboratories and partners; (ii) lipids identified by LIPID MAPS experiments; (iii) computationally generated structures for appropriate lipid classes; (iv) biologically relevant lipids manually curated from LIPID BANK, LIPIDAT and other public sources. All the lipid structures in LMSD are drawn in a consistent fashion. In addition to a classification-based retrieval of lipids, users can search LMSD using either text-based or structure-based search options. The text-based search implementation supports data retrieval by any combination of these data fields: LIPID MAPS ID, systematic or common name, mass, formula, category, main class, and subclass data fields. The structure-based search, in conjunction with optional data fields, provides the capability to perform a substructure search or exact match for the structure drawn by the user. Search results, in addition to structure and annotations, also include relevant links to external databases. The LMSD is publicly available a

An exploration of process oriented guided inquiry learning in undergraduate Chemistry classes

The research study explored student’s understanding of stereochemistry and their perceptions of learning chemistry in first year undergraduate chemistry classes following a modified Process-Oriented Guided Inquiry Learning (POGIL) that included group work. A 5-item two-tier stereochemistry concept diagnostic test (SCDT) was developed and administered to explore their understanding of stereochemistry concepts. The students’ perception of POGIL learning was gauged in an effort to establish construct and convergent validity to the SALG instrument

Oceanus.

v. 25, no. 2 (1982

A manifold dwelling: how Gemma Anderson-Tempini built a higher spatial home

A catalogue essay that contextualises Gemma Anderson-Tempini's installation And She Built a Crooked House, commissioned by Artangel and Leeds 2023, in the history of higher spatial thinking, and cultural responses to the idea of higher dimemnsions

Information Outlook, December 2009

Volume 13, Issue 8https://scholarworks.sjsu.edu/sla_io_2009/1007/thumbnail.jp

Internet based molecular collaborative and publishing tools

The scientific electronic publishing model has hitherto been an Internet based delivery of electronic articles that are essentially replicas of their paper counterparts. They contain little in the way of added semantics that may better expose the science, assist the peer review process and facilitate follow on collaborations, even though the enabling technologies have been around for some time and are mature. This thesis will examine the evolution of chemical electronic publishing over the past 15 years. It will illustrate, which the help of two frameworks, how publishers should be exploiting technologies to improve the semantics of chemical journal articles, namely their value added features and relationships with other chemical resources on the Web. The first framework is an early exemplar of structured and scalable electronic publishing where a Web content management system and a molecular database are integrated. It employs a test bed of articles from several RSC journals and supporting molecular coordinate and connectivity information. The value of converting 3D molecular expressions in chemical file formats, such as the MOL file, into more generic 3D graphics formats, such as Web3D, is assessed. This exemplar highlights the use of metadata management for bidirectional hyperlink maintenance in electronic publishing. The second framework repurposes this metadata management concept into a Semantic Web application called SemanticEye. SemanticEye demonstrates how relationships between chemical electronic articles and other chemical resources are established. It adapts the successful semantic model used for digital music metadata management by popular applications such as iTunes. Globally unique identifiers enable relationships to be established between articles and other resources on the Web and SemanticEye implements two: the Document Object Identifier (DOI) for articles and the IUPAC International Chemical Identifier (InChI) for molecules. SemanticEye’s potential as a framework for seeding collaborations between researchers, who have hitherto never met, is explored using FOAF, the friend-of-a-friend Semantic Web standard for social networks