Spectroscopic and theoretical study of the weakly bound H2-HCCCN dimer

Rotational spectra of the H(2)-HCCCN complex were studied using a pulsed-nozzle Fourier transform microwave spectrometer. Complexes containing the main and several minor isotopologues of cyanoacetylene (HCCC(15)N, DCCCN, and various (13)C containing isotopologues) and the two spin isomers of the H(2) molecule (paraH(2) and orthoH(2)) were investigated. Transitions of complexes with (14)N and D containing isotopologues have nuclear quadrupole hyperfine structures, which were measured and analyzed. Transitions of orthoH(2) molecule containing complexes show additional hyperfine structures due to nuclear magnetic proton spin-proton spin coupling of the hydrogen nuclei in the H(2) molecule. For orthoH(2)-HCCCN, both strong a- and weaker b-type transitions were measured and analyzed using a semirigid asymmetric rotor model. For the paraH(2)-HCCCN complex, only a-type transitions could be observed. The dimer complexes are floppy and have near T-shaped structures. Intermolecular interaction potential energy surfaces were calculated for H(2)-HCCCN using the coupled-cluster method with single and double excitations and noniterative inclusion of triple excitations [CCSD(T)]. Three orientations of the hydrogen molecule within the complex were considered. Equal weighting of the surfaces corresponding to the three hydrogen orientations provided an averaged potential energy surface. Bound-state rotational energy levels supported by the surfaces were determined for the different hydrogen orientations, as well as for the averaged surface. Simple scaling of the surfaces improved the agreement with the experimental results and produced surfaces with near spectroscopic accuracy.     

Biologically Relevant Metal-Cation Binding Induces Conformational Changes in Heparin Oligosaccharides as Measured by Ion Mobility Mass Spectrometry

Heparin interacts with many proteins and is involved in biological processes such as anticoagulation, angiogenesis, and antitumorigenic activities. These heparin-protein interactions can be influenced by the binding of various metal ions to these complexes. In particular, physiologically relevant metal cations influence heparin-protein conformations through electronic interactions inherent to this polyanion. In this study, we employed ion mobility mass spectrometry (IMMS) to observe conformational changes that occur in fully-sulfated heparin octasaccharides after the successive addition of metal ions. Our results indicate that binding of positive counter ions causes a decrease in collision cross section (CCS) measurements, thus promoting a more compact octasaccharide structure.     

Promoting uncertainty to support preservice teachers’ reasoning about the tangent relationship

Including opportunities for students to experience uncertainty in solving mathematical tasks can prompt learners to resolve the uncertainty, leading to mathematical understanding. In this article, we examine how preservice secondary mathematics teachers’ thinking about a trigonometric relationship was impacted by a series of tasks that prompted uncertainty. Using dynamic geometry software, we asked preservice teachers to compare angle measures of lines on a coordinate grid to their slope values, beginning by investigating lines whose angle measures were in a near-linear relationship to their slopes. After encountering and resolving the uncertainty of the exact relationship between the values, preservice teachers connected what they learned to the tangent relationship and demonstrated new ways of thinking that entail quantitative and covariational reasoning about this trigonometric relationship. We argue that strategically using uncertainty can be an effective way of promoting preservice teachers’ reasoning about the tangent relationship.     

Exploring the relationship between metacognitive and collaborative talk during group mathematical problem-solving – what do we mean by collaborative metacognition?

The purpose of this study was to enhance our understanding of the relationship between collaborative talk and metacognitive talk during group mathematical problem-solving. Research suggests that collaborative talk may mediate the use of metacognitive talk, which in turn is associated with improved learning outcomes. However, our understanding of the role of group work on the individual use of metacognition during problem-solving has been limited because research has focused on either the individual or the group as a collective. Here, primary students (aged nine to 10) were video-recorded in a naturalistic classroom setting during group mathematical problem-solving sessions. Student talk was coded for metacognitive, cognitive and social content, and also for collaborative content. Compared with cognitive talk, we found that metacognitive talk was more likely to meet the criteria to be considered collaborative, with a higher probability of being both preceded by and followed by collaborative talk. Our results suggest that collaborative metacognition arises from combined individual and group processes.