Solvent-Free Synthesis of Nano Zirconium Phenylphosphonates with Molten Phenylphosphonic Acid

Nanosized α-zirconium phenylphosphonate particles were successfully prepared by the reaction between different zirconium sources and molten phenylphosphonic acid in the absence of solvent. The resultant nanoplates exhibit particle sizes in the range of 15 to 30 nm. The use of a topotactic anion exchange method starting from α-zirconium phosphate instead resulted in the generation of 15 to 180 nm plates, while also resulting in nanoparticles with a higher degree of crystallinity. The topotactic anion exchange of the phosphate groups by phenylphosphonate groups could be performed to completion when performed in molten phenylphosphonic acid. Characterization of both the final products as well as the individual steps in the anion exchange were performed by powder XRD, fast neutron activation analysis, TGA, FTIR spectroscopy, TEM, solid-state NMR and XPS.     

Behind the success of modified coupled-cluster methods: addition by subtraction

ABSTRACT

Modified coupled-cluster (CC) methods such as linearized coupled-cluster doubles (LinCCD), approximate coupled pair (ACP D14), 2CC (from nCC family), parameterized CCSD (pCCSD) and distinguishable cluster (DCSD) can have their advantages over general CC methods. Though these methods include connected clusters of single and double excitations at most, distinguishable cluster, parameterized CC and approximate coupled pair methods, in particular, have been shown to produce quantitatively correct results in benchmark studies. To put these methods on a stronger foothold, it is essential to understand the rationale for their success: mimicking the effect of connected triple excitations. We exploit the relation between CC and many body perturbation theory (MBPT) in general, and between CCSD and MBPT(4)/MP4 in particular, to take a step towards bringing clarity to this persisting conundrum. Our aim here is to look for numerical signs of ‘addition by subtraction’ or ‘inclusion by deletion’ effect that is likely behind the success of these modified CCD or CCSD methods. We achieve this by revisiting well-studied examples of single and multiple bond dissociation and comparing the performance of these modified CCSD methods with higher-level CC methods. Though our results are qualitative in nature, we hope this would lead to more rigorous analysis in future studies.     

An Overview of Key Technologies in Physical Layer Security

The open nature of radio propagation enables ubiquitous wireless communication. This allows for seamless data transmission. However, unauthorized users may pose a threat to the security of the data being transmitted to authorized users. This gives rise to network vulnerabilities such as hacking, eavesdropping, and jamming of the transmitted information. Physical layer security (PLS) has been identified as one of the promising security approaches to safeguard the transmission from eavesdroppers in a wireless network. It is an alternative to the computationally demanding and complex cryptographic algorithms and techniques. PLS has continually received exponential research interest owing to the possibility of exploiting the characteristics of the wireless channel. One of the main characteristics includes the random nature of the transmission channel. The aforesaid nature makes it possible for confidential and authentic signal transmission between the sender and the receiver in the physical layer. We start by introducing the basic theories of PLS, including the wiretap channel, information-theoretic security, and a brief discussion of the cryptography security technique. Furthermore, an overview of multiple-input multiple-output (MIMO) communication is provided. The main focus of our review is based on the existing key-less PLS optimization techniques, their limitations, and challenges. The paper also looks into the promising key research areas in addressing these shortfalls. Lastly, a comprehensive overview of some of the recent PLS research in 5G and 6G technologies of wireless communication networks is provided.     

Design optimization of a Class VII Flextensional Transducer

Class VII Flextensional Transducers (FTs) have been proposed as a means of overcoming the limitation of very high prestress in Class IV FTs. These transducers are made from shells shaped like dog bone and hence are also known as dog-bone shell transducers. In this work, we report design optimization of a low frequency aluminum shell Class VII FT, resonating at 2.5 kHz, using piezoelectric drive. Two and three dimensional Finite Element Modeling (FEM), with the help of a commercially available package ATILA have been used for the design optimization. Dimensional details of the base model have been adapted from previous literature. Parametric analyses have been done with respect to various aspects like type of rubber, shell height, shell material, etc. in order to optimize the design. Experimental results obtained from an initial prototype are also presented. The results match fairly well with the predicted values.     

Scalable Synthesis of Piperazines Enabled by Visible‐Light Irradiation and Aluminum Organometallics

The development of more active C? H oxidation catalysts has inspired a rapid, scalable, and stereoselective assembly of multifunctional piperazines through a [3+3] coupling of azomethine ylides. A combination of visible‐light irradiation and aluminum organometallics is essential to promote this transformation, which introduces visible‐light photochemistry of main‐group organometallics and sets the basis for new and promising catalysts.     

Synthesis and crystal structures of aluminum and iron phosphites

The hydrated forms of aluminum and iron phosphite were prepared and their structure was solved using X-ray powder diffraction data. The diffraction data for the aluminum phosphite powder sample was collected using synchrotron radiation(=1.3087 Å) while that for iron phosphite was obtained from a rotating anode X-ray source. Both compounds crystallize in the monoclinic space group, P2₁. Unit cell parameters for the Al compound:a+8.0941(1),b+9.9137(1),c+7.6254(1) Å, =111.95°; Fe compound:a+8.2548(1),b+10.1814(1),c+7.7964(1) (Å), =111.94(1)°. The Rietveld refined formula is M₂(PO₃H)₃·4H₂O (M=Al, Fe). There are two independent metal atoms in the structure and both are six-coordinated. One of them is coordinated by two water molecules and four phosphite oxygens. The other atom is surrounded by one water molecule and five phosphite oxygens. All the phosphite oxygens are involved in bridging the Al atoms. The geometry about Al, Fe, and P atoms is normal and they display, expected bond parameters. The Lattice water is located in the cavity and is hydrogen bonded to phosphite oxygen and water molecules.     

Improved Miniaturized Linear Ion Trap Mass Spectrometer Using Lithographically Patterned Plates and Tapered Ejection Slit

We present a new two-plate linear ion trap mass spectrometer that overcomes both performance-based and miniaturization-related issues with prior designs. Borosilicate glass substrates are patterned with aluminum electrodes on one side and wire-bonded to printed circuit boards. Ions are trapped in the space between two such plates. Tapered ejection slits in each glass plate eliminate issues with charge build-up within the ejection slit and with blocking of ions that are ejected at off-nominal angles. The tapered slit allows miniaturization of the trap features (electrode size, slit width) needed for further reduction of trap size while allowing the use of substrates that are still thick enough to provide ruggedness during handling, assembly, and in-field applications. Plate spacing was optimized during operation using a motorized translation stage. A scan rate of 2300 Th/s with a sample mixture of toluene and deuterated toluene (D8) and xylenes (a mixture of o-, m-, p-) showed narrowest peak widths of 0.33 Th (FWHM).

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Microwave-Assisted Synthesis and Antimicrobial Activity of 3-(Arylsulfanyl)-4-hydroxy-2<Emphasis Type="Italic">H</Emphasis>-chromen-2-ones

An efficient microwave-assisted synthesis of 3-(arylsulfanyl)-4-hydroxy-2H-chromen-2-ones by condensation of arenesulfonohydrazides with 4-hydroxy-2H-chromen-2-one in the presence of iodine is described. The synthesized compounds were characterized by spectral data (IR, ¹H and ¹³C NMR, and mass spectra and elemental analyses) and were tested for their in vitro antimicrobial activity against bacterial and fungal organisms.