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Creators/Authors contains: "Yang, Qingqing"

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  1. Abstract

    The ability of B atoms on two different molecules to engage with one another in a noncovalent diboron bond is studied by ab initio calculations. Due to electron donation from its substituents, the trivalent B atom of BYZ2(Z=CO, N2, and CNH; Y=H and F) has the ability to in turn donate charge to the B of a BX3molecule (X=H, F, and CH3), thus forming a B⋅⋅⋅B diboron bond. These bonds are of two different strengths and character. BH(CO)2and BH(CNH)2, and their fluorosubstituted analogues BF(CO)2and BF(CNH)2, engage in a typical noncovalent bond with B(CH3)3and BF3, with interaction energies in the 3–8 kcal/mol range. Certain other combinations result in a much stronger diboron bond, in the 26–44 kcal/mol range, and with a high degree of covalent character. Bonds of this type occur when BH3is added to BH(CO)2, BH(CNH)2, BH(N2)2, and BF(CO)2, or in the complexes of BH(N2)2with B(CH3)3and BF3. The weaker noncovalent bonds are held together by roughly equal electrostatic and dispersion components, complemented by smaller polarization energy, while polarization is primarily responsible for the stronger ones.

     
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  2. Abstract

    The replacement of a CH group of benzene by a triel (Tr) atom places a positive region of electrostatic potential near the Tr atom in the plane of the aromatic ring. This σ‐hole can interact with an X lone pair of XCCH (X=F, Cl, Br, and I) to form a triel bond (TrB). The interaction energy between C5H5Tr and FCCH lies in the range between 2.2 and 4.4 kcal/mol, in the order Tr=B+cation above the ring pulls density toward itself and thus magnifies the Tr σ‐hole. The TrB to the XCCH nucleophile is thereby magnified as is the strength of the TrB. This positive cooperativity is particularly large for Tr=B.

     
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  3. Nanoscale multipoint structure–function analysis is essential for deciphering the complexity of multiscale biological and physical systems. Atomic force microscopy (AFM) allows nanoscale structure–function imaging in various operating environments and can be integrated seamlessly with disparate probe-based sensing and manipulation technologies. Conventional AFMs only permit sequential single-point analysis; widespread adoption of array AFMs for simultaneous multipoint study is challenging owing to the intrinsic limitations of existing technological approaches. Here, we describe a prototype dispersive optics-based array AFM capable of simultaneously monitoring multiple probe–sample interactions. A single supercontinuum laser beam is utilized to spatially and spectrally map multiple cantilevers, to isolate and record beam deflection from individual cantilevers using distinct wavelength selection. This design provides a remarkably simplified yet effective solution to overcome the optical cross-talk while maintaining subnanometer sensitivity and compatibility with probe-based sensors. We demonstrate the versatility and robustness of our system on parallel multiparametric imaging at multiscale levels ranging from surface morphology to hydrophobicity and electric potential mapping in both air and liquid, mechanical wave propagation in polymeric films, and the dynamics of living cells. This multiparametric, multiscale approach provides opportunities for studying the emergent properties of atomic-scale mechanical and physicochemical interactions in a wide range of physical and biological networks.

     
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