A Synthetic Strategy for Novel Organothiophosphates Incorporating a Pyridine Ring

Eight novel amidothiophosphates have been successfully achieved using cycloiminium salts of pyridine as the starting material. Phosphorylation was done using phosphorus trichloride, and the resulting functionalized iminohalophosphines in situ were further oxidized and substituted through sulfur and a suitable secondary amine (alkyl, alicyclic, and aryl). The reactions were carried out in a dry nitrogen atmosphere. The synthesized products were characterized using different spectroscopic techniques (¹H and ³¹P NMR). The pyridine nucleus incorporating a phosphoryl group is highly bioactive. Hence, the synthesized organothiophosphates should be potential pesticidal molecules.     

Tokens vs. Signals: On Conformance between Formal Models of Dataflow and Hardware

Designing hardware often involves several types of modeling and analysis, e.g., in order to check system correctness, to derive performance properties such as throughput, to optimize resource usages (e.g., buffer sizes), and to synthesize parts of a circuit (e.g., control logic). Working directly with low-level hardware models such as finite-state machines (FSMs) to answer such questions is often infeasible, e.g., due to state explosion. Instead, designers often use dataflow models such as SDF and CSDF, which are more abstract than FSMs, and less expensive to use since they come with more efficient analysis algorithms. However, dataflow models are only abstractions of the real hardware, and often omit critical information. This raises the question, when can one say that a certain dataflow model faithfully captures a given piece of hardware? The question is of more than simply academic interest. Indeed, as illustrated in this paper, dataflow-based analysis outcomes may sometimes be defensive (e.g., buffers that are too big) or even incorrect (e.g., buffers that are too small). To answer the question of faithfully capturing hardware using dataflow models, we develop a formal conformance relation between the heterogeneous formalisms of (1) finite-state machines with synchronous semantics, typically used to model synchronous hardware, and (2) asynchronous processes communicating via queues, used as a formal model for dataflow. The conformance relation preserves performance properties such as worst-case throughput and latency.     

A Robust numerical approach for singularly perturbed time delayed parabolic partial differential equations

We consider the numerical solution of a initial boundary value problem with a time delay. The problem under consideration is singularly perturbed from the mathematical perspective. Assuming that the coefficients of the differential equation are smooth, we construct and analyze the finite difference method whose solutions converge pointwise at all points of the domain independently of the singular perturbation parameter. The method permits its extension to the case of adaptive meshes, which may be used to improve the solution. Numerical examples are presented to demonstrate the effectiveness of the method. The convergence obtained in practice satisfies the theoretical predictions.     

Design and simulation of a novel GaN based resonant tunneling high electron mobility transistor on a silicon substrate

For the first time, we have introduced a novel GaN based resonant tunneling high electron mobility transistor (RTHEMT) on a silicon substrate. A monolithically integrated GaN based inverted high electron mobility transistor (HEMT) and a resonant tunneling diode (RTD) are designed and simulated using the ATLAS simulator and MATLAB in this study. The 10% Al composition in the barrier layer of the GaN based RTD structure provides a peak-to-valley current ratio of 2.66 which controls the GaN based HEMT performance. Thus the results indicate an improvement in the current-voltage characteristics of the RTHEMT by controlling the gate voltage in this structure. The introduction of silicon as a substrate is a unique step taken by us for this type of RTHEMT structure.     

Propagation delay and power dissipation for different aspect ratio of single-walled carbon nanotube bundled TSV

Through-silicon vias (TSVs) have provided an attractive solution for three-dimensional (3D) integrated devices and circuit technologies with reduced parasitic losses and power dissipation, higher input-output (I/O) density and improved system performance. This paper investigates the propagation delay and average power dissipation of single-walled carbon nanotube bundled TSVs having different via radius and height. Depending on the physical configuration, a comprehensive and accurate analytical model of CNT bundled TSV is employed to represent the via (vertical interconnect access) line of a driver-TSV-load (DTL) system. The via radius and height are used to estimate the bundle aspect ratio (AR) and the cross-sectional area. For a fixed via height, the delay and the power dissipation are reduced up to 96.2% using a SWCNT bundled TSV with AR = 300 : 1 in comparison to AR = 6 : 1.     

Thermodynamic investigations of uranium-rich binary and ternary alloys

Uranium–zirconium, uranium niobium, and uranium–zirconium–niobium alloys were synthesized by the arc melting technique and their phase transition temperatures were determined using a high temperature calorimeter. Heat capacities of U–7 wt%Zr, U–7 wt%Nb, U–5 wt%Zr–2 wt%Nb, U–3.5 wt%Nb–3.5 wt%Zr, and U–2 wt%Zr–5 wt%Nb were measured using a differential scanning calorimeter in the temperature range 303–921 K. A set of self-consistent thermodynamic functions such as entropy, enthalpy, and Gibbs energy function data for these binary and ternary alloys were reported for the first time using heat capacity data obtained in this study and required literature data.     

Synthesis and characterization of a novel copolymer of glyoxal dihydrazone and glyoxal dihydrazone bis(dithiocarbamate) and application in heavy metal ion removal from water

We demonstrate synthesis of water insoluble, novel copolymer P_A1 from condensation of glyoxal dihydrazone and glyoxal dihydrazone bis(dithiocarbamate) monomers having high capacity to remove metal ions from aqueous solution. The presence of a high atomic percentage of nitrogen and sulfur atoms in P_A1 leads to strong ligating ability with metal ions. The monomers and the polymer have been characterized by FTIR, UV–Visible spectroscopy, CHNS elemental analysis, NMR, MALDI-MS, and TG/DTA. As a proof of concept, the P_A1 is tested for its ability to remove heavy metal ions Cu²⁺, Co²⁺, Fe²⁺, Ni²⁺, Mn²⁺, and CrO ₇ ^2? from aqueous solutions. P_A1 efficiently removed metals ions from the metal solutions. The highest absorption ability has been observed toward the iron salts where 0.969 g metal salt is absorbed by 1 g polymer. This study has implication for inexpensive and efficient polymer for purification of water.     

Association reaction between SiH3 and H2O2: a computational study of the reaction mechanism and kinetics

The association reaction between silyl radical (SiH₃) and H₂O₂ has been studied in detail using high-level composite ab initio CBS-QB3 and G4MP2 methods. The global hybrid meta-GGA M06 and M06-2X density functionals in conjunction with 6-311++G(d,p) basis set have also been applied. To understand the kinetics, variational transition-state theory calculation is performed on the first association step, and successive unimolecular reactions are subjected to Rice–Ramsperger–Kassel–Marcus calculations to predict the reaction rate constants and product branching ratios. The bimolecular rate constant for SiH₃–H₂O₂ association in the temperature range 250–600 K, k(T) = 6.89 × 10^?13 T ^?0.163exp(?0.22/RT) cm³ molecule^?1 s^?1 agrees well with the current literature. The OH production channel, which was experimentally found to be a minor one, is confirmed by the rate constants and branching ratios. Also, the correlation between our theoretical work and experimental literature is established. The production of SiO via secondary reactions is calculated to be one of the major reaction channels from highly stabilized adducts. The H-loss pathway, i.e., SiH₂(OH)₂ + H, is the major decomposition channel followed by secondary dissociation leading to SiO.     

Stereoselective Bromination of 2-Vinyl Chromones Using NBS

A simple one-step synthetic methodology for stereoselective synthesis of E- and Z-3-bromo-2-vinyl chromones in quantitative yield in polar solvents under ambient conditions without the use of catalysts is reported.