Simplified Molecular Input Line Entry System (SMILES) is a single line text representation of a unique molecule. One molecule can however have multiple SMILES strings, which is a reason that canonical SMILES have been defined, which ensures a one to one correspondence between SMILES string and molecule. Here the fact that multiple SMILES represent the same molecule is explored as a technique fo...

The direct conversion of diaryl ketones and enolizable aliphatic aldehydes into gem-difluoroalkenes has been a long-standing challenge in organofluorine chemistry. Herein, we report efficient strategies to tackle this problem by using difluoromethyl 2-pyridyl sulfone as a general gem-difluoroolefination reagent. The gem-difluoroolefination of diaryl ketones proceeds by acid-promoted Smiles rear...

People smile in various emotional contexts, for example, when they are amused or angry or simply being polite. We investigated whether younger and older adults differ in how well they are able to identify the emotional experiences accompanying smile expressions, and whether the age of the smiling person plays a role in this respect. With this aim, we produced 80 video episodes of three types of...

Reliable seismic depth migrations require an accurate input velocity model. Inaccurate velocity estimates will distort point diffractors into smiles or frowns on a depth section. For both poststack and prestack migrated sections, high velocities cause deep smiles while low velocities cause shallow frowns on migrated gathers. However, for prestack images in the offset domain, high velocities cau...

Integrating data involving chemical structures is simplified when unique identifiers (UIDs) can be associated with chemical structures. For example, these identifiers can be used as database keys. One common approach is to use the Unique SMILES notation introduced in [2]. The Unique SMILES views a chemical structure as a graph with atoms as nodes and bonds as edges and uses a depth first traver...

Recent work suggests that temporal aspects of facial displays influence the perception of the perceived authenticity of a smile. In the present research, the impact of temporal aspects of smiles on person and expression perception was explored in combination with head-tilt and gender. One hundred participants were shown different types of smiles (slow versus fast onset) in combination with thre...

This study examined autistic children's social behavior, affect, and use of gaze during naturalistic interactions with their mothers. Sixteen autistic children, 30 to 70 months of age, and 16 normal children, matched on receptive language, participated. Children and their mothers were videotaped during three situations: a free-play period, a more structured period during which communicative dem...