In the mol-ecule of neutral bis-[(1H-tetra-zol-5-yl)meth-yl]nitramide, (I), C4H6N10O2, there are two intra-molecular N-H⋯O hydrogen bonds. In the crystal, N-H⋯N hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (-201) and weak C-H⋯O, C-H⋯N hydrogen bonds, and inter-molecular π-π stacking completes the three-dimensional network. The anion in the molecular salt, tri-am...

MOTIVATION In the study of the structural flexibility of proteins, crystallographic Debye-Waller factors are the most important experimental information used in the calibration and validation of computational models, such as the very successful elastic network models (ENMs). However, these models are applied to single protein molecules, whereas the experiments are performed on crystals. Moreove...

Hierarchical TS-1 with a well connected network of meso/macropores inside the zeolite crystal was directly synthesized by using caramel as the template.

The use of a quartz crystal microbalance (QCM) for monitorin g in situ the immobilization of singlestrand DNA marked with mercaptol group at the 5'-end on the surface of a gold-filled 7.995 MHz AT-cut quartz crystal by Au–S bond with the self-assembly technique is reported. The hybridization of ssDNA with complementary 10-mer ODN and 8-mer ODN is described. The QCM was also employed to analyze ...

Human Immunodeficiency Virus (HIV) infection is initiated by binding of the viral glycoprotein gp120, to the cellular receptor CD4. On CD4 binding, gp120 undergoes conformational change, permitting binding to the chemokine receptor. Crystal structures of gp120 ternary complex reveal the CD4 bound conformation of gp120. We report here the application of the Gaussian network model (GNM) to the cr...

Nematic liquid-crystal (LC) elastomers and gels have a rubbery polymer network coupled to the nematic director. While LC elastomers show a single, non-hydrodynamic relaxation mode, dynamic light-scattering studies of self-assembled liquid-crystal gels reveal orientational fluctuations that relax over a broad time scale. At short times, the relaxation dynamics exhibit hydrodynamic behavior. In c...

Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found i...

We studied a two-dimensional square-lattice photonic crystal with all-angle negative refraction at its first band. Using this photonic crystal, we designed and fabricated a flat lens functioning as a cylindrical lens by increasing the vertical dimension of the photonic crystal. Two-dimensional finite-difference time-domain simulation validated negative refraction imaging. To perform the experim...

A general analysis of an inserted long-period grating in an air-clad photonic crystal fiber for temperature and strain measurement is presented. The temperature and strain can be detected simultaneously by using an artificial neural network. A simulation study was carried out with the data set generated by using theoretical strain and temperature sensitivities of the long-period gratings. It in...

A signi®cant breakthrough has been achieved using materials databases, semi-empirical methods and neural networks to aid in the design of new materials. A collaborative, international, team discovered that a non-linear expression involving one elemental property parameter could be used to predict, with 99+% accuracy, the occurrence of a compound for any ternary materials system. This elemental ...