A. V. C. College

A standout amongst the most dangers to the cyber security is known as Botnet since it offers a conveyed stage for many undesirable activities. From the network traffic flow, the identification of Botnet is a fundamental test. Artificial Neural Network–Particle Swarm Optimization (ANN–PSO) based botnet discovery is proposed in this paper. In this paper, ISCX dataset is utilized for botnet location. The features are classified as botnet flow and normal flow by giving the features separated from the dataset as a contribution to the grouping. For grouping, we have displayed ANN–PSO which lessens the false classification ratio and time multifaceted nature to 3.3% and 14 s. We contrast our proposed work with other existing work and demonstrate that our work is superior to anything that of alternate works in the simulation results.

This paper presents an extensive experimental and theoretical investigation of the cesium-doped methylammonium lead triiodide (Cs: MAPbI₃), a hybrid inorganic-organic perovskite that exhibits high photovoltaic and nonlinear optical (NLO) promise. The reaction mechanism at the molecular level suggests coordination of the Pb²⁺ with the iodide ions and Cs⁺-induced zwitterionic nature, which favors exciton dissociation and charge separation. Crystallographic analysis reveals favored crystallization in the (101) plane and reveals a three-dimensional intricate system of molecular slabs, tubular morphologies, helical molecular strips, and sloping planes, all for anisotropic charge transfer. The pseudo-tetragonal lattice exhibits low Microstrain (ε = 3.49 × 10⁻⁴), high crystallite dimension (812.2 nm), and high phase purity, as established by XRD and SEM studies. Electrochemical impedance spectroscopy gives low series resistance (Rs = 15.2 Ω) and high recombination resistance (Rrec = 600 Ω), suggestive of optimal carrier transport. Band gap value optimized to 1.55–1.63 eV is comparable with the Shockley–Queisser limit, and the material has a high external quantum efficiency (EQE 86

Clonidine, an established antihypertensive drug, was investigated through integrated experimental (FT-IR, FT-Raman, NMR, UV–vis) and computational (DFT/B3LYP) analyses to elucidate its structural, vibrational, electronic, and molecular interaction characteristics. Experimental spectra were correlated with scaled DFT frequencies, confirming key functional-group vibrations associated with the imidazoline and dichlorophenyl units. The optimized geometry showed good agreement with the reported single-crystal XRD structure (CCDC 185578). The HOMO–LUMO energy gap (4.58 eV) indicates molecular stability with limited intramolecular charge transfer. NMR chemical shifts were rationalized using computed shielding tensors, highlighting the influence of electronegative chlorine and ring-current effects. UV–vis spectra revealed π→π* and n→π* transitions consistent with the electronic configuration of the molecule. ADME profiling predicts acceptable drug-likeness and pharmacokinetic properties. Molecular docking with the 5UUT protein indicates moderate binding affinity (– 6.59 kcal/mol) via hydrogen bonding and hydrophobic interactions, consistent with its known receptor interactions. The combined spectroscopic and theoretical results provide a validated molecular description of Clonidine and reinforce its structural stability, electronic features, and pharmacokinetic suitability without claiming new therapeutic indications.

The semi-organic nonlinear optical crystal L-alanine potassium iodate (LAPI) was grown from slow evaporation solution growth method at room temperature using water as solvent. The lattice parameters of the grown crystal have been determined from X-ray diffraction studies and revealed that the successfully grown crystal belongs to cubic system. Vibrational spectrum was carried out to determine the symmetries of molecular vibrations. The presence of various functional groups of L-alanine potassium iodate (LAPI) was identified through FT-IR spectroscopic technique. These functional groups are assigned, discussed and confirmed with the data available. The optical transmission spectral study confirmed the transmitting ability of the synthesized crystal in the entire visible region having the recorded range of 190–1100 nm. The analyses of optical, linear, absorption, and transmission curves were carried out to identify the lower cut-off transmission and also to enumerate the optical band gap energy and found. The experimentally grown crystals were also subjected to TGA/DTA analysis to explain its thermal stability. Vickers microhardness test was used to evaluate the mechanical parameters and hence to obtain the hardness of the investigated crystal. The second harmonic generation (SHG) test of the grown crystal confirmed the nonlinear nature of the crystal. The fluorescence spectral study of the synthesized crystal was used to determine the energy gap derived from the difference between excitation and emission photon energies and this crucial parameter characterizes the luminescent materials.

In the present studies, N-nitroso piperidine-4-one oxime derivatives, t-3-methyl-r-2,c-6-diphenyl-1-nitroso piperidine-4-one oxime (9) and t-3-isopropyl-r-2,c-6-diphenyl-1-nitrosopiperidine-4-one oxime (10), were investigated using FT-IR, Raman, mass spectrometry, and ¹H/¹³C/HMBC NMR techniques. Spectral features were interpreted with DFT optimized geometries, vibrational assignments, frontier molecular orbitals, and electrostatic potential mapping. UV-Vis transitions were correlated with TD-DFT predictions. The target compounds 9 and 10, E isomers studies Molecular docking, revealed favorable interactions with cancer-associated proteins (1T46, 3PE2, 6FS1) and the HIV target 2F3K. The synthesized compounds showed inhibitory activity against hematological cancer cell lines, while ADMET profiles indicated acceptable pharmacokinetic properties. These combined spectroscopic, computational, and preliminary biological results highlight the therapeutic promise of nitroso oxime scaffolds.