Gold‐Nanoparticle‐Decorated Boron Nitride Nanosheets: Structure and Optical Properties

Synergetic cooperation of individual components of the nanocomposites (NCs) is responsible for their novel properties that lead to various technological applications. A simple chemical process depicting the deposition of functionalized gold nanoparticles on the surface of boron nitride nanosheets (BNNSs) in solution is reported. The structure, chemical composition, and optical properties of nanosheets are systematically studied. The deposition of Au nanoparticles on BNNS (BNNS_Au) results in plasmonic band modulation, thus altering the optoelectronic properties of BNNSs. The intense surface plasmon absorption band of BNNS_Au is narrowed and red‐shifted relative to the absorption band of as synthesized monometallic BNNSs. The observations reflect the strong interfacial interaction between BNNS and Au nanoparticles. This approach constitutes a basis for a simple process leading to the preparation of functionalized BNNSs and their utilization as nanoscale templates for assembly and integration with other nanoscale materials for futuristic optoelectronic devices.     

Computational/In-Silico Methods: An Influential Approach for Drug Designing and Development

As the world is struggling with the pandemic. Various infectious diseases have become a threat to human health. Millions of deaths are caused by these microbial infections (bacterial, fungal, and viral infections). The process of designing and discovering new drugs is very expensive and it also consumes a good amount of time. As per available data, the process of discovery and designing takes 3–20 years to complete. There is a strong urge and demand to discover new methods to make the process of drug design and development more cost-effective. Computational methods are one the novel methods for designing and developing a drug. In this respect, in-silico parameters; ADME (Absorption, Distribution, Metabolism, and Excretion) models have been established with various levels of complication for the transmission of huge data of derivatives/ligands/drugs. Nowadays, in-silico tools are more cost-effective, faster, and simpler than transitional experimental trials. Currently, the pharmaceutical industry faces a huge erosion rate of preclinical and clinical applicants due to the unavailability of pharmacokinetics properties and huge toxicity. These can be minimized via structural modifications of drugs and can help medicinal chemists/pharmacists. In this report, various methodologies and steps have been explained via molecular docking that will lead to drug development in lesser time against various stains.     

Preparation and characterization of nanosize nickel-substituted cobalt ferrites (Co1−xNixFe2O4)

Nanosize nickel-substituted cobalt ferrites were prepared using aerosol route and characterized by TEM, XRD, magnetic and Mössbauer spectroscopy. The particle size of as obtained samples was found to be ∼10 nm which increases upto ∼80 nm on annealing at 1200 °C. The unit cell parameter ‘a’ decreases linearly with the nickel concentration due to smaller ionic radius of nickel. The saturation magnetization for all the samples after annealing at 1200 °C lies in the range 47.6-84.5 emu/g. Room temperature Mössbauer spectra of as obtained samples exhibit a broad doublet, suggesting super paramagnetic nature of the sample. The broad doublet is further resolved into two doublets corresponding to the iron atoms residing at the surface and internal regions of the particle. The samples annealed at 1200 °C showed broad sextet, which is resolved into two sextets, corresponding to tetrahedrally and octahedrally coordinated Fe cations. Cation distribution calculated using XRD and Mössbauer data indicates a decrease in Fe³⁺(oct.)/Fe³⁺(tet.) ratio with increasing nickel concentration.     

A successful algorithm for the undirected Hamiltonian path problem

In this paper a polynomial algorithm called the Minram algorithm is presented which finds a Hamiltonian Path in an undirected graph with high frequency of success for graphs up to 1000 nodes. It first reintroduces the concept described in [13] and then explains the algorithm. Computational comparison with the algorithm by Posa [10] is given.It is shown that a Hamiltonian Path is a spanning arborescence with zero ramification index. Given an undirected graph, the Minram algorithm starts by finding a spanning tree which defines a unique spanning arborescence. By suitable pivots it locates a locally minimal value of the ramification index. If this local minima corresponds to zero ramification index then the algorithm is considered to have ended successfully, else a failure is reported.Computational performance of the algorithm on randomly generated Hamiltonian graphs is given. The random graphs used as test problems were generated using the procedure explained in Section 6.1. Comparison with our version of the Posa algorithm which we call Posa-ran algorithm [10] is also made.     

Remarks concerning impact-parameter dependent binary encounter approximation

It is pointed out that the velocity of target electron as a function of it's position from the nucleus needed in the impact-parameter version of binary encounter theory of ionization can be obtained from statistical arguments.     

Antimalaria agents II. Synthesis and reactions of 3-([p-(4-nitrophenyl)sulfonyl] phenyl)sydnone

The synthesis and several reactions of a sydnone substituted with strongly electron-withdrawing substituents are described. Infrared evidence for labile open chain iminoanhydride is presented.     

A class of polynomials defined by generalized Rodrigues’ formula

Summary The present paper incorporates a systematic study of linear, bilinear and bilateral generating functions, pure as well as mixed recurrence relations, and the differential equations associated with the class of polynomials {G _n ^α (x, r, p, k)|n=0, 1, 2, ... }, defined by (1.3) below, which evidently provides an elegant generalization of the various recent extensions of the classical Hermite and Laguerre polynomials. This work was supported in part by the National Research Council of Canada under Grant A7353. See also Abstract 71T-B15, Notices Amer. Math. Soc.18 (1971), p. 252. Entrata in Redazione il 16 novembre 1970.