Supramolecular structure of 5-methyl-5-phenyl hydantoin and hydrogen-bonding patterns in 5,5′-substituted hydantoins

The crystal structure of heterocyclic compound 5-methyl-5-phenyl hydantoin has been determined from X-ray single crystal structural characterization. This material crystallizes in the orthorhombic system and noncentrosymmetric space group P21 (N°4). The crystal packing is governed by N–H···O hydrogen bond-type intermolecular interactions, forming chains and edge-fused 12-membered rings with graph-set C(4) C(5) C22(8) R33(12) in a similar hydrogen-bonding pattern of another chiral 5,5′-substituted hydantoins.     

Building and analyzing the US airport network based on en-route location information

From a complex network perspective, this study sets out two aims around the US airport network (USAN) which is built from en-route location information of domestic flights in the US. First, we analyze the structural properties of the USAN with respect to its binary and weighted graphs, and second we explore the airport patterns, which have wide-ranging implications. Results from the two graphs indicate the following. (1) The USAN exhibits scale-free, small-world and disassortative mixing properties, which are consistent with the mainstream perspectives. Besides, we find (2) a remarkable power relationship between the structural measurements in the binary graph and the traffic measurements in the weighted counterpart, namely degree versus capacity and attraction versus volume. On the other hand, investigation of the airport patterns suggests (3) that all the airports can be classified into four categories based on multiple network metrics, which shows a complete typology of the airports. And it further indicates (4) that there is a subtle relationship between the airport traffic and the geographical constraints as well as the regional socioeconomic indicators.     

Strategies for differentiation of isobaric flavonoids using liquid chromatography coupled to electrospray ionization mass spectrometry

Flavonoids are a class of secondary plant metabolites existing in great variety in nature. Due to this variety, identification can be difficult, especially as overlapping compounds in both chromatographic separations and mass spectrometric detection are common. Methods for distinguishing isobaric flavonoids using MS² and MS³ have been developed. Chromatographic separation of various plant extracts was done with RP‐HPLC and detected with positive ESI‐MS operated in information‐dependent acquisition (IDA) mode. Two methods for the determination of flavonoid identity and substitution pattern, both featuring IDA criteria, were used together with the HPLC equipment. A third method where the collision energy was ramped utilized direct infusion. With the developed strategies, it is possible to differentiate between many isobaric flavonoids. Various classes of flavonoids were found in all of the plant extracts, in the red onion extract 45 components were detected and for 29 of them the aglycone was characterized, while the substituents were tentatively identified for 31 of them. For the strawberry extract, those numbers were 66, 30 and 60, and for the cherry extract 99, 56 and 71. The great variety of flavonoids, several of them isobaric, found in each of the extracts highlights the need for reliable methods for flavonoid characterization. Methods capable of differentiating between most of the isobars analyzed have been developed. Copyright © 2014 John Wiley & Sons, Ltd.     

Dependency distance: A new perspective on syntactic patterns in natural languages

Dependency distance, measured by the linear distance between two syntactically related words in a sentence, is generally held as an important index of memory burden and an indicator of syntactic difficulty. Since this constraint of memory is common for all human beings, there may well be a universal preference for dependency distance minimization (DDM) for the sake of reducing memory burden. This human-driven language universal is supported by big data analyses of various corpora that consistently report shorter overall dependency distance in natural languages than in artificial random languages and long-tailed distributions featuring a majority of short dependencies and a minority of long ones. Human languages, as complex systems, seem to have evolved to come up with diverse syntactic patterns under the universal pressure for dependency distance minimization. However, there always exist a small number of long-distance dependencies in natural languages, which may reflect some other biological or functional constraints. Language system may adapt itself to these sporadic long-distance dependencies. It is these universal constraints that have shaped such a rich diversity of syntactic patterns in human languages.     

Surface‐Tension‐Confined Microfluidics and Their Applications

This article is a brief overview of the emerging microfluidic systems called surface‐tension‐confined microfluidic (STCM) devices. STCM devices utilize surface energy that can control the movement of fluid droplets. Unlike conventional poly(dimethylsiloxane)‐based microfluidics which confine the movement of fluids by three‐dimensional (3D) microchannels, STCM systems provide two‐dimensional (2D) platforms for microfluidics. A variety of STCM devices have been prepared by various micro‐/nanofabrication strategies. Advantages of STCM devices over conventional microfluidics are significant reduction of energy consumption during device operation, facile introduction of fluids onto 2D microchannels without the use of a micropump, increased flow rate in a special type of STCM device, among others. Thus, STCM devices can be excellent alternatives for certain areas in microfluidics. In this Minireview, fabrication methods, operating modes, and applications of STCM devices are introduced.     

Substituent Effects on EI-MS Fragmentation Patterns of 5-Allyloxy-1-aryl-tetrazoles and 4-Allyl-1-aryl-tetrazole-5-ones; Correlation with UV-Induced Fragmentation Channels

1,4- and 1,5-disubstituted tetrazoles possess enriched structures and versatile chemistry, representing a challenge for chemists. In the present work, we unravel the fragmentation patterns of a chemically diverse range of 5-allyloxy-1-aryl-tetrazoles and 4-allyl-1-aryl-tetrazolole-5-ones when subjected to electron impact mass spectrometry (EI-MS) and investigate the correlation with the UV-induced fragmentation channels of the matrix-isolated tetrazole derivatives. Our results indicate that the fragmentation pathways of the selected tetrazoles in EI-MS are highly influenced by the electronic effects induced by substitution. Multiple pathways can be envisaged to explain the mechanisms of fragmentation, frequently awarding common final species, namely arylisocyanate, arylazide, arylnitrene, isocyanic acid and hydrogen azide radical cations, as well as allyl/aryl cations. The identified fragments are consistent with those found in previous investigations concerning the photochemical stability of the same class of molecules. This parallelism showcases a similarity in the behaviour of tetrazoles under EI-MS and UV-irradiation in the inert environment of cryogenic matrices of noble gases, providing efficient tools for reactivity predictions, whether for analytical ends or more in-depth studies. Theoretical calculations provide complementary information to articulate predictions of resulting products.