Theoretical investigations of the substituent effect on the opto-electronic properties of the linearly fused napthadithiophene-based molecules.

The optoelectronic and charge transport properties of eight linearly fused Napthadithiophene (NDT) molecules with different electron-withdrawing (EWG) and electron-donating (EDG) substituents are studied using the density functional theory (DFT) methods. The effect of the substitution of EWG and EDG on the molecular structure, frontier molecular orbitals, ionization energy, electron affinity, reorganization energy, crystal packing, and charge carrier mobility are studied. The crystal structure simulation method is used to optimize the possible crystal packing arrangements for the studied molecules.

Optimizing rice plant disease detection with crossover boosted artificial hummingbird algorithm based AX-RetinaNet.

Rice is the most important cereal food crop in the world, and half of the world's population uses rice as a staple food for its energy source. The yield production qualities and quantities are affected by biotic and abiotic factors namely viruses, soil fertility, bacteria, pests, and temperature. Rice plant disease is the most crucial factor behind communal, economic, and agricultural losses in the agricultural field.

Evaluation of groundwater for nitrate and fluoride in Alappuzha region from the southwestern coast of India and associated health risks.

Nitrate and fluoride are two of the most prevalent pollutants in drinking water and exposure to their high concentrations could cause methemoglobinemia and fluorosis. This study attempted to evaluate the groundwater quality (pH: 4.4-9) from a relatively understudied part of the southwestern coast in India (i.

A water coordinated Ni complex and a 2D Ni-MOF: topology dependent highly enhanced electrocatalytic OER activity.

Metal-organic frameworks (MOFs) with their tunable topology, functionality and coordination environment have been considered as potential materials for various applications including electrocatalysis. Herein, we have synthesised a water coordinated nickel based 2D metal-organic framework (Ni-MOF) and a coordination complex (Ni-C) and investigated their electrocatalytic OER activity. The Ni-MOF showed a 2D sheet structure with one water coordination whereas a four water molecule coordinated charged complex was formed in the Ni-C.