Chemical Research with Undergraduate Collaborators: Building Cyclic Polymers

Undergraduate research in chemistry provides not only a meaningful experience for the students, but is essential in getting research done. This talk will focus on an ongoing project in my lab: designing large molecules of specific shapes by studying the fundamental reactions. While results will be discussed, the talk will be tailored towards a general audience. I will attempt to highlight the outstanding contributions made by Bucknell students that have worked in my lab.

Descriptive catalogue of the exhibit of the Wellcome Chemical Research Laboratories at the International Exposition, St. Louis, 1904 : exhibit no. 15. British Chemical Section. Liberal Arts Building.

Key plan to exhibit on inside of front cover.

A dictionary of chemistry, exhibiting the present state of the theory and practice of that science, its application to natural philosophy, the processes of manufactures, metallurgy, and numerous other arts dependant on the properties and habitudes of bodies, in the mineral, vegetable, and animal kingdoms. With a considerable number of tables, expressing the elective attractions, specific gravities, comparative heats, component parts, combinations, and other affections of the objects of chemical research. Illustrated with engravings.

Paged continuously.

Proposed U.S. Army Chemical Research & Development Facility : located at Chemical Systems Laboratory, Edgewood Area, Aberdeen Proving Ground, Maryland.

Cover title.

The Wellcome chemical research laboratories, established 1896 /

"A dinner given to Dr. Frederick B. Power, on the occasion of the founding of the Wellcome chemical research laboratories [reprint from press report]": 6 p. at end.

Review of American chemical research /

Mode of access: Internet.

On sample size determination; informal report no. 2 to Systems Analysis Division, Chemical Research and Development Laboratories, Edgewood Arsenal, Md., under Contract DA-18-108-CML-7174.

Mode of access: Internet.

The Chemical Space Project

One of the simplest questions that can be asked about molecular diversity is how many organic molecules are possible in total? To answer this question, my research group has computationally enumerated all possible organic molecules up to a certain size to gain an unbiased insight into the entire chemical space. Our latest database, GDB-17, contains 166.4 billion molecules of up to 17 atoms of C, N, O, S, and halogens, by far the largest small molecule database reported to date. Molecules allowed by valency rules but unstable or nonsynthesizable due to strained topologies or reactive functional groups were not considered, which reduced the enumeration by at least 10 orders of magnitude and was essential to arrive at a manageable database size. Despite these restrictions, GDB-17 is highly relevant with respect to known molecules. Beyond enumeration, understanding and exploiting GDBs (generated databases) led us to develop methods for virtual screening and visualization of very large databases in the form of a “periodic system of molecules” comprising six different fingerprint spaces, with web-browsers for nearest neighbor searches, and the MQN- and SMIfp-Mapplet application for exploring color-coded principal component maps of GDB and other large databases. Proof-of-concept applications of GDB for drug discovery were realized by combining virtual screening with chemical synthesis and activity testing for neurotransmitter receptor and transporter ligands. One surprising lesson from using GDB for drug analog searches is the incredible depth of chemical space, that is, the fact that millions of very close analogs of any molecule can be readily identified by nearest-neighbor searches in the MQN-space of the various GDBs. The chemical space project has opened an unprecedented door on chemical diversity. Ongoing and yet unmet challenges concern enumerating molecules beyond 17 atoms and synthesizing GDB molecules with innovative scaffolds and pharmacophores.

Chemical abstracts.

"A publication of the Chemical Abstracts Service."

Chemical abstracts.

"A publication of the Chemical Abstracts Service."

Journal of the American Chemical Society

Mode of access: Internet.

Contribuição à organização da pesquisa em Química e os desafios da interação com outras áreas do conhecimento

This article provides some aspects that allow making a current reading of the situation of the Brazilian Chemistry that permit us considerate it as a strategic area. They are still presented some initial proposals related to the organization of the research as well as to win the challenges of the relationship with the other areas of the knowledge.

Organização de pesquisa no Brasil: lições do passado, propostas para o futuro

Chemical research in Brazil has grown significantly in the past 20 years, largely thanks to the Brazilian S&T Development Program of the federal government (PADCT). However, the newly achieved levels of highly qualified manpower and research infra-structure require new research organization frameworks to make science, technology and innovation really useful and meaningful for the citizens. The current requirements for creating viable networks of academic and industry researchers are presented and discussed as well as some structural and procedural bottlenecks that have to be eliminated, to achieve maximum high-quality science, technology and relevant innovation output.