A Novel Design of an Intelligent Drug Delivery System Based on Nanoantenna Particles.

Compound nanoparticle drug delivery system plays an important role in the interaction with lymph nodes. There are three primary types of lymphocytes: B cells, T cells, and natural killer cells. When the cells of the immune system turn carcinogenic, they assault body cells. The lymph fluid plays an important role in attacking healthy cells of the body; hence, this paper aimed to design a drug delivery system, which can efficiently direct nanoparticles to target the infected cells, helping in high-speed elimination of such cells. The proposed design depends on the interaction between these molecules, and the intelligent nano-controller has the ability to guide the nanoparticles by anaerobic contact. The proposed design proved that the smaller the nanoparticle size and density, the less dynamic viscosity of the liquid would be, which would reflect its resistance to flow. In addition, it was concluded that hydrogen molecules play a significant role in reducing lymphatic fluid resistance due to their low density.

DFT computations on: Crystal structure, vibrational studies and optical investigations of a luminescent self-assembled material.

The current work undertakes the growth and the physicochemical properties of a novel green-yellow luminescence semi-organic material, the 3-picolylammonium bromide abbreviated (Pico-Br). In this paper, we report the X-ray diffraction measurements which show that the crystal lattice consists of distinct 3-picolylammonium cations and free bromide anions connected via NH⋯Br and NH⋯N hydrogen bonds leading to form a two dimensional frameworks. Molecular geometry compared with its optimized counterpart shows that the quantum chemical calculations carried out with density functional method (DFT) well produce the perceived structure by X-ray resolution of the studied material. To provide further insight into the spectroscopic properties, additional characterization of this material have been performed with Raman and infrared studies at room temperature. Theoretical computations have been computed using the (DFT) method at B3LYP/LanL2DZ level of theory implemented within Gaussian 03 program to study the vibrational spectra of the investigated molecule in the ground state. Optical absorption spectrum inspected by UV-visible absorption reveals the appearance of sharp optical gap of 280nm (4.42eV) as well as a strong green photoluminescence emission at 550nm (2.25eV) is detected on the photoluminescence (PL) spectrum at room temperature. Using the TD/DFT method, HOMO-LUMO energy gap and the Mulliken atomic charges were calculated in order to get an insight into the material. Good agreement between the theoretical results and the experimental ones was predicted.

Crystal structure, vibrational studies and optical properties of a new organic-inorganic hybrid compound (C10H28N4)CuCl5Cl⋠4H2O.

A new organic-inorganic hybrid material, 1,4-bis(3-ammoniumpropyl) piperazinium pentachloridocuprate(II) chloride tetrahydrate [(C10H28N4)CuCl5Cl⋅4H2O], has been synthesized and characterized by X-ray diffraction, UV-visible absorption, Infrared and Raman spectroscopy. The compound crystallizes in the orthorhombic system and Pnma space group with a=8.18 (3)Å, b=10.96 (5)Å, c=21.26 (9)Å, V=2254.3 (15)Å(3). In this structure, the Cu(2+) ion, surrounded by five chlorides, adopts the square pyramidal coordination geometry. The structure of this compound consists of tetraprotonated 1,4-bis(3-ammoniumpropyl) piperazinium cations and the anionic sublattice is built up of isolated, square pyramid [CuCl5](3)(-) units, chloride ion Cl(-) and water molecules connected with each other by hydrogen bonds. Organic and inorganic entities are interconnected by means of hydrogen bonding contacts [NH⋯O(Cl), O(W)H⋯Cl and O(W)H⋯O]. Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed on the basis of literature data. The optical study was also investigated by UV-Vis absorption. In fact, the organic-inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C10H28N4)CuCl5Cl⋅4H2O hybrid compound and it showed absorptions characteristics of CuCl based layered compounds centered at 275 and 374 nm.

Crystal structure, vibrational studies, optical properties and DFT calculation of bis 2-aminobenzothiazolium tetrachloridocuprate.

The zero dimensional organic-inorganic hybrid compound (C7H7N2S)2CuCl4 was synthesized and characterized by X-ray diffraction, infrared absorption, Raman spectroscopy scattering and optical transmission measurements. The title compound crystallizes in the monoclinic system with P21/c space group. The unit cell parameters are a=7.060 (5) Å, b=9.748 (5) Å, c=14.037 (5) Å, ß=98.520 (5)° and Z=2. The copper (II) ion has square planar coordination environment and the structure is built up from isolated [CuCl4](2)(-) anion surrounded by organic cations connected together via N-H⋯Cl hydrogen bonding. Room temperature IR and Raman spectra of the title compound were recorded and analyzed. The theoretical geometrical parameters in the ground state have been investigated by density functional theory (DFT) with the B3LYP/LanL2DZ level of theory. The organic-inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C7H7N2S)2CuCl4 compound and it showed characteristic absorptions of Cu-Cl based layered perovskite centered at 288 and 400 nm.