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In response to the call for an increased emphasis from the American Chemical Society on including macromolecular studies in the undergraduate curriculum, a supramolecular-themed experiment was designed for undergraduate-level organic laboratory courses that provides a convenient platform to study physical behaviors of supramolecular assemblies. Students synthesize an easily purified resorcin[4]arene and characterize the product of its self-assembly via [superscript 1]H NMR spectroscopy. These bowl-shaped molecules are noteworthy because of their propensity to self-assemble in organic solution in the presence of trace water or alcohol solvents. Upon self-assembly, the resulting hexamer adopts a well-defined molecular cage structure with a large internal cavity that can be used to explore host:guest chemistry. After completing the experiment, students are expected to gain a better understanding of electrophilic aromatic substitution, [superscript 1]H NMR spectroscopy, supramolecular chemistry and self-assembly, and molecular recognition.

After describing social-emotional learning, provides a framework for implementing an effective program that includes, for example, building connections between students and their schools, involving families and communities as partners. Describes three exemplary social and emotional learning programs for grades K-6: Caring School Community, Promoting Alternative Thinking Strategies (PATHS), and Skills, Opportunities and Recognition (SOAR). (PKP)

A series of phosphoalkenes, E-ArP=C(H)Ar' are prepared by phospha-Wittig reactions and characterized. NMR spectroscopy reveals that exposure of these materials either to room light over an extended period of time (days) or to UV light (hours) produces equilibrium mixtures of the E and Z isomers.

We have derived and implemented analytical gradients for the discrete interaction model/quantum mechanics (DIM/QM) method. DIM/QM combines an atomistic electrodynamics model with time-dependent density functional theory and thus enables modeling of the optical properties for a molecule while taking into account the local environment of a nanoparticle's surface. The DIM/QM analytical gradients allow for geometry optimizations, vibrational frequencies, and Raman spectra to be simulated for molecules interacting with metal nanoparticles. We have simulated the surface-enhanced Raman scattering (SERS) spectra for pyridine adsorbed on different sites of icosahedral nanoparticles with diameters between 1 and 8 nm. To describe the adsorption of the pyridine molecule onto the metal surface, we have implemented a coordination-dependent force field to differentiate the various local surface environments. We find that the DIM/QM method predicts geometries and frequencies that are in good agreement with full QM simulations and experiments. For the simulated SERS spectra of pyridine, we find a significant dependence on the adsorption site and the size of the metal nanoparticle. This illustrates the importance of accounting for the local environment around the molecule. The Raman enhancement factors are shown to roughly mirror the magnitude of the nanoparticle's local field about the molecule. Because the simulated nanoparticles are small, the plasmon peaks are quite broad which results in weak local electric fields and thus modest Raman enhancement factors. [ABSTRACT FROM AUTHOR]

The syntheses of benzoxaphospholes and new benzobisoxaphospholes that exhibit blue fluorescence are described. These materials have featured bona fide P[double bond]C p-p [pi] bonds suitable for conjugated materials having phosphorus as a participatory atom and can 'photocopy' the properties of other conjugated organic molecules.

This article examines how schools can create and sustain social and emotional learning programs, focusing on teaching ethics and social responsibility to students. Topics include how students build relationships in their communities and methods to promote alternative ways of thinking in students.

Many programs have been developed to help schools enhance students' health and reduce the prevalence of drug use, violence, and high-risk sexual behaviors. How should educators choose among these? This article describes selection criteria based on theory, research, and best educational practice that identify key social and emotional learning (SEL) competencies and program features. The SEL competencies for students include 17 skills and attitudes organized into four groups: awareness of self and others; positive attitudes and values; responsible decision making; and social interaction skills. The 11 program features critical to the success of school-based SEL programs emphasize curriculum design, coordination with larger systems, educator preparation and support, and program evaluation. Developed by the Collaborative to Advance Social and Emotional Learning (CASEL), the SEL framework can be used to guide selection of research-based prevention programs that address health, substance abuse, violence prevention, sexuality, character, and social skills. (J Sch Health. 2000;70(5): 179-185), Both parents and educators want young people to succeed in their academic, personal, and social lives. They want young people to have the motivation and ability to achieve; to establish [...]