Plants have the capability to produce an extensive variety of chemical compounds that in turn exert important biological functions and modify different pathological conditions in both human and animals. In this way medicinal plants mediate their effects through Chemical compounds and these processes are identical to those already well understood for the chemical compounds in conventional drugs....

As defined in the Chemical Genealogy database (Chemical Genealogy Database), ‘‘A professional genealogy (as opposed to a family genealogy) traces a person’s intellectual line of descent via one’s Ph.D. advisor or mentor for one’s highest non-honorary degree.’’ The professional genealogy for Professor Daniel I. C. Wang of the Department of Chemical Engineering of the Massachusetts Institute of T...

Nonredundant and exhaustive generation of stereoisomers of a chemical compound with a specified constitution is one of the important tools for molecular structure elucidation and molecular design. In this paper, we deal with chemical compounds composed of carbon, hydrogen, oxygen and nitrogen atoms whose graphical structures are tree-like graphs because these compounds are most fundamental, and...

This study explores a method to classify seven tropical rainforest tree species from full-range (400–2,500 nm) hyperspectral data acquired at tissue (leaf and bark), pixel and crown scales using laboratory and airborne sensors. Metrics that respond to vegetation chemistry and structure were derived using narrowband indices, derivativeand absorptionbased techniques, and spectral mixture analysis...

The potential differentiations in litter chemistry among native and non-native trees are poorly understood. We compared the chemical composition of leaf litterfall of 11 exotic tree species, e.g. coniferous: Abies cephalonica, A. grandis, A. procera, Chamaecyparis pisifera, Pinus peuce, Pseudotsuga menziesii, Thuja plicata, and deciduous: Acer rubrum, A. saccharum, Betula alleghaniensis and Que...

Boosting is a machine learning algorithm that is not well known in chemometrics. We apply boosting tree to the classification of mass spectral data. In the experiment, recognition of 15 chemical substructures from mass spectral data have been taken into account. The performance of boosting is very encouraging. Compared with previous result, boosting significantly improves the accuracy of classi...

Based on in vitro assays, we performed a High Throughput Screening (HTS) to identify kinase inhibitors among 10,000 small chemical compounds. In this didactic paper, we describe step-by-step the approach to validate the hits as well as the major pitfalls encountered in the development of active molecules. We propose a decision tree that could be adapted to most in vitro HTS.

Protium subserratum (Burseraceae) is a neotropical tree species that is comprised of several habitat-specific ecotypes having distinct defense chemical profiles. A previously unknown triterpene, 25,30-dicarboxy-26,27,28,29-tetraacetoxy-10,11,14,15-tetrahydrosqualene, was isolated from P. subserratum young leaf tissue of one ecotype growing in Peru. The structure of 1 was determined by spectrosc...