Optimization of detection device geometry for NIR spectroscopy using a three-layered model of stone fruit

The influences of detection device geometry and fiber optic parameters on near infrared spectroscopy measurements were assessed using stone fruit models based on Monte Carlo simulation. The stone fruit was modeled as concentric spherical layered tissues including the skin, the flesh and the core. The choices of the detection angle, the diameter of the detection fiber, the numerical aperture, and the height of the probe were discussed. Receiving diffuse reflectance signals at detection angles in the range of 35°–50° and normalizing the detection signals by the collection area and the solid acceptance angle prior to use are suggested. Fiber probes with diameters D = 0.06 cm or 0.1 cm, NA = 0.20 or 0.30, and height h ≤ 0.8 cm are preferred. The probe deflection angle should be limited to within ±5° to guarantee measurement accuracy.     

Phase-I trigger readout electronics upgrade of the ATLAS liquid-argon calorimeters

This article gives an overview of the Phase-I Upgrade of the ATLAS LAr Calorimeter Trigger Readout. The design of custom developed hardware for fast real-time data processing and transfer are presented. Performance results from the prototype boards operated in the demonstrator system, first measurements of noise behavior and responses on the test pulses to the demonstrator system are shown.     

Design,synthesis, insecticidal activity,and structure-activity relationship (SAR): studies of novel triazone derivatives containing a urea bridge group based on transient receptor potential (TRP) channels

Numerous compounds containing urea bridge and biurea moieties are used in a variety of fields, especially as drugs and pesticides. To search for novel, environmentally benign and ecologically safe pesticides with unique modes of action, four series of novel triazone analogues containing urea, thiourea, biurea, and thiobiurea bridge, respectively, were designed and synthesized, according to various calcium ion channel inhibitors which act on transient receptor potential protein. Their structures were characterized by \({}^{1}\mathrm{H}\) NMR, \({}^{13}\mathrm{C}\) NMR, and HRMS. The insecticidal activities of the new compounds were obtained. The bioassay results indicated that compounds containing a thiourea bridge and a thiobiurea bridge exhibited excellent insecticidal activities against bean aphid. Specifically, compounds \({\mathbf{VIb}}_{15}\), \({\mathbf{VIIb}}_{8}\), and \({\mathbf{VIIb}}_{9}\) exhibited 85, 90, and 95 % activities, respectively, at 10 mg/kg. Compounds \({\mathbf{VIb}}_{14}\) (30 %), \({\mathbf{VIIb}}_{10}\) (35 %), \({\mathbf{VIIb}}_{11}\) (30 %), and \({\mathbf{VIIb}}_{12}\) (40 %) exhibited the approximate aphicidal activity of pymetrozine (30 %) at 5 mg/kg. In addition, some target compounds exhibited insecticidal activities against lepidopteran pests. From a molecular design standpoint, the information obtained in this study could help in the further design of new derivatives with improved insecticidal activities.     

High-throughput screening against $$\sim $$6.1 million structurally diverse,lead-like compounds to discover novel ROCK inhibitors for cerebral injury recovery

Rho-associated protein kinase (ROCK) has been recognized as an attractive therapeutic target to promote neurogenesis, neuroregeneration, and neurorecovery after cerebral injury. Here, a high-throughput screening protocol was described to discover novel ROCK inhibitors from a large chemical library containing \(\sim \)6.1 million structurally diverse, lead-like compounds. The protocol employed empirical rules such as ADMET evaluation and chemical similarity analysis to exclude those of drug-unlike candidates, and then molecular docking and binding affinity predictions were performed to suggest few promising candidates with high scores. Consequently, five compounds were successfully identified to have satisfactory activity profile with \(\hbox {IC}_{50}\) values at nanomolar level. In order to elucidate the molecular mechanism of inhibitor binding to target, the complex structures of ROCK kinase domain with the five identified compounds were modeled and examined in detail. A number of polar chemical forces such as hydrogen bonds and cation-\(\pi \) interactions as well as nonpolar contacts such as \(\pi \)–\(\pi \) stacking and hydrophobic forces were revealed at the complex interface, conferring high affinity and strong specificity to inhibitor binding. In addition, several key residues around the kinase active site, including Val90, Lys105, Asn203, and Phe368, were found to play an important role in binding.     

Cerium oxide-catalyzed multicomponent condensation approach to spirooxindoles in water

An efficient and facile green synthesis of spirooxindole derivatives bearing pyrano[2,3-c]pyrazole moiety has been achieved via a \(\mathrm{CeO}_{2}\)-NPs catalyzed four-component reaction in water. The protocol offers an environmentally benign and effective approach to highly functionalized and biologically interesting spiro[indoline-3,4\(^\prime \)-pyrano[2,3-c]pyrazole] derivatives. The synthesized compounds exhibit potent antioxidant and antibacterial activities.     

The Initial-boundary Value Problem for the Ostrovsky-Vakhnenko Equation on the Half-line

We analyze an initial-boundary value problem for the Ostrovsky-Vakhnenko equation on the half-line. This equation can be viewed as the short wave model for the Degasperis-Procesi (DP) equation. We show that the solution u(x,t) can be recovered from its initial and boundary values via the solution of a vector Riemann-Hilbert problem formulated in the plane of a complex spectral parameter z.     

The Mode Solution of the Wave Equation in Kasner Spacetimes and Redshift

We study the mode solution to the Cauchy problem of the scalar wave equation □φ = 0 in Kasner spacetimes. As a first result, we give the explicit mode solution in axisymmetric Kasner spacetimes, of which flat Kasner spacetimes are special cases. Furthermore, we give the small and large time asymptotics of the modes in general Kasner spacetimes. Generically, the modes in non-flat Kasner spacetimes grow logarithmically for small times, while the modes in flat Kasner spacetimes stay bounded for small times. For large times, however, the modes in general Kasner spacetimes oscillate with a polynomially decreasing amplitude. This gives a notion of large time frequency of the modes, which we use to model the wavelength of light rays in Kasner spacetimes. We show that the redshift one obtains in this way actually coincides with the usual cosmological redshift.     

Biocompatibility selenium nanoparticles with an intrinsic oxidase-like activity

Selenium nanoparticles (SeNPs) are considered to be the new selenium supplement forms with high biological activity and low toxicity; however, the molecular mechanism by which SeNPs exert the biological function is unclear. Here, we reported that biocompatibility SeNPs possessed intrinsic oxidase-like activity. Using Na₂SeO₃ as a precursor and glutathione as a reductant, biocompatibility SeNPs were synthesized by the wet chemical reduction method in the presence of bovine serum albumin (BSA). The results of structure characterization revealed that synthesized SeNPs were amorphous red elementary selenium with spherical morphology, and ranged in size from 25 to 70 nm size with a narrow distribution (41.4 ± 6.7 nm). The oxidase-like activity of the as-synthesized SeNPs was tested with 3,3′,5,5′-tetramethylbenzidine (TMB) as a substrate. The results indicated that SeNPs could catalyze the oxidization of TMB by dissolved oxygen. These SeNPs showed an optimum catalytic activity at pH 4 and 30 °C, and the oxidase-like activity was higher as the concentration of SeNPs increased and the size of SeNPs decreased. The Michaelis constant (K _m) values and maximal reaction velocity (V _max) of the SeNPs for TMB oxidation were 0.0083 mol/L and 3.042 μmol/L min, respectively.     

Nonlinear spectral-spatial control and localization of supercontinuum radiation

We present the first observation of spatiospectral control and localization of supercontinuum light through the nonlinear interaction of spectral components in extended periodic structures. We use an array of optical waveguides in a LiNbO3 crystal and employ the interplay between diffraction and nonlinearity to dynamically control the output spectrum of the supercontinuum radiation. This effect presents an efficient scheme for optically tunable spectral filtering of supercontinua.     

Dynamics of quark-gluon plasma from field correlators

It is argued that strong dynamics in the quark-gluon plasma and bound states of quarks and gluons is mostly due to nonperturbative effects described by field correlators. The emphasis in the paper is made on two explicit calculations of these effects from first principles—one analytic using gluelump Green’s functions and another using independent lattice data on correlators. The resulting hadron spectra are investigated in the range T _c ≤ T < 2T _c . The spectra of charmonia, bottomonia, light s mesons, glueballs, and quark-gluon states calculated numerically are in general agreement with lattice MEM data. The possible role of these bound states in the thermodynamics of quark—gluon plasma is discussed. The text was submitted by the authors in English.