The organic components in metal−organic frameworks (MOFs) are unique: they are embedded in a crystalline lattice, yet, as they are separated from each other by tunable free space, a large variety of dynamic behavior can emerge. These rotational dynamics of the organic linkers are especially important due to their influence over properties such as gas adsorption and kinetics of guest release. To fully exploit linker rotation, such as in the form of molecular machines, it is necessary to engineer correlated linker dynamics to achieve their cooperative functional motion. Here, we show that for MIL-53, a topology with closely spaced rotors, the phenylene functionalization allows researchers to tune the rotors' steric environment, shifting linker rotation from completely static to rapid motions at frequencies above 100 MHz. For steric interactions that start to inhibit independent rotor motion, we identify for the first time the emergence of coupled rotation modes in linker dynamics. These findings pave the way for function-specific engineering of gear-like cooperative motion in MOFs.
The Behavioral Inhibition Questionnaire-Short Form (BIQ-SF) is a 14-item parent-rating scale for assessing an inhibited, anxiety-prone temperament in preschool children. This study examined the psychometric properties of the BIQ-SF scores in a multi-ethnic community population of Dutch boys and girls aged 2.5–6 years (total N = 2,343, from which various subsamples were derived). Results revealed that the factor structure of the BIQ-SF was as hypothesized: a model with six correlated factors representing children’s inhibited behaviors in various social and non-social contexts provided a good fit for the data. The internal consistency of the BIQ-SF was generally satisfactory and scores on the scale were found to be fairly stable over a time period of up to 2 years. Parent-teacher agreement was acceptable, and relations between the BIQ-SF and observations of an inhibited temperament were moderate. Finally, BIQ-SF scores were positively associated with measures of anxiety and internalizing symptoms, whereas no significant links were found with externalizing symptoms. Altogether, these results provide support for the reliability and validity of the BIQ-SF as an economical method for assessing behavioral inhibition and anxiety proneness in young children.
Porosity and surface area analysis play a prominent role in modern materials science, where 123 their determination spans the fields of natural sciences, engineering, geology and medical 124 research. At the heart of this sits the Brunauer-Emmett-Teller (BET) theory,[1] which has been 125 a remarkably successful contribution to the field of materials science. The BET method was 126 developed in the 1930s and is now the most widely used metric for the estimation of surface 127 areas of porous materials.[2] Since the BET method was first developed, there has been an 128 explosion in the field of nanoporous materials with the discovery of synthetic zeolites,[3] 129 nanostructured silicas,[4–6] metal-organic frameworks (MOFs),[7] and others. Despite its 130 widespread use, the manual calculation of BET surface areas causes a significant spread in 131 reported areas, resulting in reproducibility problems in both academia and industry. To probe 132 this, we have brought together 60 labs with strong track records in the study of nanoporous 133 materials. We provided eighteen adsorption isotherms and asked these researchers to 134 calculate the corresponding BET areas, resulting in a wide range of values for each one. We 135 show here that the reproducibility of BET area determination from identical isotherms is a 136 largely ignored issue, raising critical concerns over the reliability of reported BET areas in 137 the literature. To solve this major issue, we have developed a new computational approach 138 to accurately and systematically determine the BET area of nanoporous materials. Our 139 software, called BET Surface Identification (BETSI), expands on the well-known Rouquerol 140 criteria and makes, for the first time, an unambiguous BET area assignment possible.
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