Infrared vibration-rotation spectrum and structure of OCS dimer

Direct observations of infrared absorption in the weakly bound dimer of carbonyl sulphide, produced in pulsed molecular beams, have been made. Diode laser spectra in the 5 micron, carbonyl stretching, wavelength region were recorded with FWHM linewidths of approximately 100 MHz. All of the observations are consistent with OCS dimer having a C _2h , centrosymmetric geometry, with the centres of mass of the monomers nearly opposite one another. This essentially perpendicular structure places the S atoms close to the centre of the complex. The perpendicular distance between the monomer axes is 3·64 Å. Intermolecular potential functions containing dispersion and electrostatic contributions are discussed.     

N-Cyanoimides via the Cyanation of Imides

The conversion of cyclic imides to the corresponding N-cyanoimides has been carried out using cyanogen bromide as the nitrile source. This methodology provides a convenient route for the preparation of both aromatic and aliphatic N-cyanoimides.     

The Berkeley Center for Structural Biology at the Advanced Light Source

The Berkeley Center for Structural Biology (BCSB) operates and develops a suite of protein crystallography beamlines at the Advanced Light Source (ALS) located at Lawrence Berkeley National Laboratory (LBNL). Although the ALS was conceived as a low-energy (1.9-GeV), third-generation synchrotron source of vacuum ultraviolet (VUV) and soft X-ray radiation, it was realized during the development of the facility in the mid-1990s that a multipole wiggler coupled with brightness-preserving optics would result in a beamline whose performance in the energy range of 5 to 15 keV would be sufficient for most protein crystallographic experiments. Later, the hard X-ray capabilities of the ALS were expanded by the addition of three superconducting bending magnets, resulting in additional protein crystallography facilities at the ALS [1 A.A. MacDowell, J Synchrotron Radiation 11(6), 447–55 (2004).[Crossref], [PubMed], [Web of Science ®] , [Google Scholar]].     

Water‐Stable Zirconium‐Based Metal–Organic Framework Material with High‐Surface Area and Gas‐Storage Capacities

We designed, synthesized, and characterized a new Zr‐based metal–organic framework material, NU‐1100 , with a pore volume of 1.53 ccg^?1 and Brunauer–Emmett–Teller (BET) surface area of 4020 m²g^?1; to our knowledge, currently the highest published for Zr‐based MOFs. CH₄/CO₂/H₂ adsorption isotherms were obtained over a broad range of pressures and temperatures and are in excellent agreement with the computational predictions. The total hydrogen adsorption at 65 bar and 77 K is 0.092 g g^?1, which corresponds to 43 g L^?1. The volumetric and gravimetric methane‐storage capacities at 65 bar and 298 K are approximately 180 v_STP/v and 0.27 g g^?1, respectively.     

Adaptive Neuro-Fuzzy Inference System and a Multilayer Perceptron Model Trained with Grey Wolf Optimizer for Predicting Solar Diffuse Fraction

The accurate prediction of the solar diffuse fraction (DF), sometimes called the diffuse ratio, is an important topic for solar energy research. In the present study, the current state of Diffuse irradiance research is discussed and then three robust, machine learning (ML) models are examined using a large dataset (almost eight years) of hourly readings from Almeria, Spain. The ML models used herein, are a hybrid adaptive network-based fuzzy inference system (ANFIS), a single multi-layer perceptron (MLP) and a hybrid multi-layer perceptron grey wolf optimizer (MLP-GWO). These models were evaluated for their predictive precision, using various solar and DF irradiance data, from Spain. The results were then evaluated using frequently used evaluation criteria, the mean absolute error (MAE), mean error (ME) and the root mean square error (RMSE). The results showed that the MLP-GWO model, followed by the ANFIS model, provided a higher performance in both the training and the testing procedures.     

Temporary shift in masked hearing thresholds in odontocetes after exposure to single underwater impulses from a seismic watergun

A behavioral response paradigm was used to measure masked underwater hearing thresholds in a bottlenose dolphin (Tursiops truncatus) and a white whale (Delphinapterus leucas) before and after exposure to single underwater impulsive sounds produced from a seismic watergun. Pre- and postexposure thresholds were compared to determine if a temporary shift in masked hearing thresholds (MTTS), defined as a 6-dB or larger increase in postexposure thresholds, occurred. Hearing thresholds were measured at 0.4, 4, and 30 kHz. MTTSs of 7 and 6 dB were observed in the white whale at 0.4 and 30 kHz, respectively, approximately 2 min following exposure to single impulses with peak pressures of 160 kPa, peak-to-peak pressures of 226 dB re 1 microPa, and total energy fluxes of 186 dB re 1 microPa2 x s. Thresholds returned to within 2 dB of the preexposure value approximately 4 min after exposure. No MTTS was observed in the dolphin at the highest exposure conditions: 207 kPa peak pressure, 228 dB re 1 microPa peak-to-peak pressure, and 188 dB re 1 microPa2 x s total energy flux.