We use the topological sub-structural molecular design (TOPS-MODE) approach to formulate structural alert rules for chromosome aberration (CA) of organic compounds. First, a classification model was developed to group chemicals as active/inactive respect to CA. A procedure for extracting structural information from orthogonalized TOPS-MODE descriptors was then implemented. The contributions of ...

Protic ionic liquids are synthesized via proton transfer from acids to organic bases. One of the key issues associated with conventional protic ionic liquids is the thermal instability resulting from temperature-induced decomposition via reverse proton transfer. This shortcoming significantly hampers the use of these protic ionic liquids in separations, electrochemical capacitors, fuel cells, a...

Definition: The term “safety catch principle” was introduced by Kenner in 1971 for peptide chemistry to describe a strategy that allows a linker to remain stable until it is activated for cleavage by a chemical modification. Currently, the term safety-catch is applied to a linker that is cleaved by performing two different reactions instead of the normal single step, that means that the linker ...

nitrosourea (BCNTJ) is shown in Chart 1. The back ground for the development of the nitrosoureas has been recently reviewed by Schabel et al. (4). Initial interest in the group of compounds of which BCNU is a member was stimulated by the finding of the Cancer Chemotherapy National Service Center screening program that i-methyl i-nitroso-3-nitroguanidine (NSC-9369) had weak activity against i.p....

Invasive fungal infections have become an important healthcare issue due in large part to high mortality rates under standard of care (SOC) therapies creating urgent need for new and effective anti-fungal agents. We developed a series non-peptide, structurally-constrained analogs host defence proteins that distinct advantages over peptides pharmaceutical uses. Here we report the chemical optimi...

Bicyclic guanidines have physical, electronic and chemical properties that differentiate them from their acyclic counterparts, with many of these characteristics directly imposed by the rigid framework. These distinctive features have led to this class of molecule finding practical applications in many areas of chemistry, including organocatalysis and as ligands in coordination compounds. In ad...

nitrosourea (BCNTJ) is shown in Chart 1. The back ground for the development of the nitrosoureas has been recently reviewed by Schabel et al. (4). Initial interest in the group of compounds of which BCNU is a member was stimulated by the finding of the Cancer Chemotherapy National Service Center screening program that i-methyl i-nitroso-3-nitroguanidine (NSC-9369) had weak activity against i.p....