Table_1_Acquisition of non-canonical word orders in Mandarin Chinese.DOCX

To better understand Mandarin-speaking children’s acquisition of non-canonical word orders, we tested comprehension and production of Mandarin non-canonical active ba-construction and passive bei-construction, in comparison with canonical active SVO sentences among 180 children between three and 6 years of age. Our results showed that children had more difficulties with bei-construction compared to SVO sentences in both comprehension and production, but early problems of ba-construction only lied in production. We discussed these patterns in connection with two accounts of language acquisition which attribute language development to the maturation of grammar or to the exposure to the input, respectively.</p

Electronic Structure Theory Study of the Microsolvated F^–(H₂O) + CH₃I S_N2 Reaction

The potential energy profile of microhydrated fluorine ion reaction with methyl iodine has been characterized by extensive electronic structure calculations. Both hydrogen-bonded F^–(H₂O)---HCH₂I and ion–dipole F^–(H₂O)---CH₃I complexes are formed for the reaction entrance and the PES in vicinity of these complexes is very flat, which may have important implications for the reaction dynamics. The water molecule remains on the fluorine side until the reactive system goes to the S_N2 saddle point. It can easily move to the iodine side with little barrier, but in a nonsynchronous reaction path after the dynamical bottleneck to the reaction, which supports the previous prediction for microsolvated S_N2 systems. The influence of solvating water molecule on the reaction mechanism is probed by comparing with the influence of the nonsolvated analogue and other microsolvated S_N2 systems. Taking the CCSD­(T) single-point calculations based on MP2-optimized geometries as benchmark, the DFT functionals B97-1 and B3LYP are found to better characterize the potential energy profile for the title reaction and are recommended as the preferred methods for the direct dynamics simulations to uncover the dynamic behaviors

Predicted Organic Noble-Gas Hydrides Derived from Acrylic Acid

The Ar-, Kr-, and Xe-insertion compounds into acrylic acid, i.e., C₂H₃COONgH (Ng = Ar, Kr, and Xe), have been studied by ab initio calculations. The geometry optimization, frequency calculation, and stability were investigated at the MP2/aug-cc-pVTZ (aug-cc-pVTZ-PP) level of theory. Two configuration isomers, i.e., <i>s-cis syn</i> (isomer A) and <i>s-cis anti</i> (isomer B), were optimized for each molecule. Using the <i>s-cis syn</i> structure (isomer A) as an example, we performed natural bond orbital (NBO) analysis, natural energy decomposition analysis (NEDA), and atom-in-molecules (AIM) analysis to investigate the bonding nature of these noble-gas compounds. Our study predicts the existence of Kr- and Xe-derivatives of acrylic acid and the instability of Ar-related compounds

Janus Silica Hollow Spheres Prepared via Interfacial Biosilicification

A poly­(ethylene glycol)<i>-<i>b</i>-</i>poly­(_L-lysine)<i>-<i>b</i>-</i>poly­(styrene) (PEG-PLL-PS) triblock copolymer, which contains a cationic PLL block as the middle block, is synthesized via a combination of ring-opening polymerization (ROP) and atom-transfer radical polymerization (ATRP). The PEG-PLL-PS (ELS) triblock is employed as a macromolecular surfactant to form a stable oil-in-water (O/W) emulsion, which is subsequently used as the template to prepare Janus silica hollow spheres (JHS) via a one-pot biosilicification reaction. For the emulsion template, the middle PLL block assembles at the O/W interface and directs the biomimetic silica synthesis in the presence of phosphate buffer and silicic acid precursors. This biosilicification process takes place only in the intermediate layer between water and the organic interior phase, leading to the formation of silica JHSs with hydrophobic PS chains tethered to the inner surface and PEG attached to the outer surface. The three-layer JHSs, namely, PEG/silica-polylysine/PS composites, were verified by electron microscopy. Upon further breaking these JHSs into species, polymer-grafted Janus silica nanoplates (JPLs) can be obtained. Our studies provide an efficient one-step method for preparing hybrid silica Janus structures within minutes

Data-Driven Discovery of a Covalent Organic Framework Heterojunction as Efficient Photocatalysts for Overall Solar Water Splitting

Searching for highly efficient visible-light photocatalysts is a high-cost and time-consuming process in the water splitting field. The integration of data-driven screening based on the database and density functional theory calculations represents a promising approach. In this study, we first present a topologically assembled single-layer covalent organic framework (COF) that is used to build a COF heterojunction database via AA stacking. Then we propose a systematic search procedure for COF heterojunctions as overall solar water splitting photocatalysts, including suitable band gap (screen 1), appropriate band edge position (screen 2), spontaneous catalytic reactions for water splitting (screen 3), and efficient separation of photogenerated electrons and holes (proof). Finally, we successfully identify 1 heterojunction from the pool of 222 items as an efficient photocatalyst for overall solar water splitting. Clearly, this kind of data-driven screening procedure, based on a COF heterojunction database, opens up new avenues and inspires the development of high-performance photocatalysts

Frequencies of Correctly Identified features with Different numbers of classes.

<p>Frequencies of Correctly Identified features with Different numbers of classes.</p

Identified OTUs for keyboard data.

<p>Identified OTUs for keyboard data.</p

Narrative skills in two languages of Mandarin–English bilingual children

<p><i>Purpose</i>: Narrative skills between Mandarin and English in Mandarin–English (ME) bilingual children were compared, exploring cross-linguistic interactions of these skills, and influences of age and current language experience (input and output) on narrative performance.</p> <p><i>Method</i>: Macrostructure and microstructure in elicited narratives from 21 ME bilingual children were analysed. Language experience was collected by parent report and entered as a covariate. Repeated measures analysis of covariance (ANCOVA) was conducted to compare the two languages.</p> <p><i>Result</i>: Children demonstrated better narrative performance in English than Mandarin, with a larger cross-linguistic difference in microstructure than macrostructure. Significant cross-linguistic correlations were only found in children with high Mandarin vocabulary. Age, associated with length of English exposure, only significantly correlated with narrative performance in English. Output had stronger correlations with narrative skills than input.</p> <p><i>Conclusion</i>: Macrostructure may be less variable across languages than microstructure. Children may need to reach a threshold of vocabulary for cross-linguistic interactions of narrative skills to occur. The effect of age in English may be related to increased cumulative English experience. Children may experience a plateau in Mandarin due to insufficient Mandarin exposure. Stronger correlations between output and narrative skills may be attributed to the expressive nature of both.</p

Test ROC curves and AUCs for simulation data: Left: 2-Classes; Right: 4-Classes.

<p>Test ROC curves and AUCs for simulation data: Left: 2-Classes; Right: 4-Classes.</p

Relative abundances of the identified features for three healthy individuals: Left: Individual 1, Middle: 2, Right: 3.

<p>Relative abundances of the identified features for three healthy individuals: Left: Individual 1, Middle: 2, Right: 3.</p