Advances in artificial intelligence for drug delivery and development: A comprehensive review.

Artificial intelligence (AI) has emerged as a powerful tool to revolutionize the healthcare sector, including drug delivery and development. This review explores the current and future applications of AI in the pharmaceutical industry, focusing on drug delivery and development. It covers various aspects such as smart drug delivery networks, sensors, drug repurposing, statistical modeling, and simulation of biotechnological and biological systems.

Nanoengineered chitosan functionalized titanium dioxide biohybrids for bacterial infections and cancer therapy.

Nanoengineered chitosan functionalized titanium dioxide biohybrids (CTiO@NPs) were prepared with Amomum subulatum Roxb extract via one-pot green method and assessed by UV-Vis spectroscopy, XRD, SEM and EDAX analyses. As revealed by XRD pattern, the nanohybrids exhibits a rutile TiO crystallites around 45 nm in size. The emergence of the Ti-O-Ti bond is identified by observing a peak between 400 and 800 cm.

Botany, traditional usages, phytochemistry, pharmacology, and toxicology of Guilandina bonduc L.: a systematic review.

Guilandina bonduc L. is popularly known as a fever nut that grows widely in evergreen forests and moist deciduous forests with a pantropical distribution. The plant is highly therapeutic in various systems of medicine, including Ayurveda, Siddha, and homeopathy.

Virulence traits and novel drug delivery strategies for mucormycosis post-COVID-19: a comprehensive review.

The outbreak of a fatal black fungus infection after the resurgence of the cadaverous COVID-19 has exhorted scientists worldwide to develop a nutshell by repurposing or designing new formulations to address the crisis. Patients expressing COVID-19 are more susceptible to Mucormycosis (MCR) and thus fall easy prey to decease accounting for this global threat. Their mortality rates range around 32-70% depending on the organs affected and grow even higher despite the treatment.

Economic Order Quantity Model-Based Optimized Fuzzy Nonlinear Dynamic Mathematical Schemes.

Fuzzy mathematics-informed methods are beneficial in cases when observations display uncertainty and volatility since it is of vital importance to make predictions about the future considering the stages of interpreting, planning, and strategy building. It is possible to realize this aim through accurate, reliable, and realistic data and information analysis, emerging from past to present time. The principal expenditures are treated as fuzzy numbers in this article, which includes a blurry categorial prototype with pattern-diverse stipulation and collapse with salvation worth.

Design and Development of Modified Ensemble Learning with Weighted RBM Features for Enhanced Multi-disease Prediction Model.

In this computer world, huge data are generated in several fields. Statistics in the healthcare engineering provides data about many diseases and corresponding patient's information. These data help to evaluate a huge amount of data for identifying the unknown patterns in the diseases and are also utilized for predicting the disease.

Mollification of Doxorubicin (DOX)-Mediated Cardiotoxicity Using Conjugated Chitosan Nanoparticles with Supplementation of Propionic Acid.

Doxorubicin is an extensively prescribed antineoplastic agent. It is also known for adverse effects, among which cardiotoxicity tops the list. The possible mechanism underlying doxorubicin (DOX)-mediated cardiotoxicity has been investigated in this study.

Growth and combined experimental and quantum chemical study of glycyl-L-Valine crystal.

Glycyl-L-Valine (GLV) crystals were grown using distilled water as the solvent at room temperature by solution growth technique. Powder X-ray diffraction confirms the crystalline quality of GLV crystal. The molecular structure of GLV crystal was identified by C NMR spectral studies.

Medicinal Plant Using Ground State Stabilization of Natural Antioxidant Curcumin by Keto-Enol Tautomerisation.

Curcumin is a medicinal agent that exhibits anti-cancer properties and bioactive pigment in Turmeric has a huge therapeutic value. It has a keto-enol moiety that gives rise to many of its chemical properties. A recent study has shown that keto-enol tautomerisation at this moiety is implicated the effect of curcumin.

Growth, structure, spectral and optical properties of semiorganic crystal: Pyridine-1-ium-2-carboxylatehydrogenbromide.

Pyridine-1-ium-2-carboxylatehydrogenbromide (PHBr) crystal was grown from aqueous solution by slow evaporation method. The calculated lattice parameters of single crystal X-ray diffraction have shown the triclinic crystal system with centrosymmetric space group of Pī. The interaction of functional groups and their importance in their application was identified by FTIR spectral analysis.

Vibrational spectroscopic (FTIR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charge analyses of 2-ethylimidazole based on Hartree-Fock and DFT calculations.

The FTIR and FT-Raman spectra of 2-ethylimidazole (2EIDZ) have been recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. Utilizing the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. The optimized molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, were calculated by ab initio Hartree-Fock (HF) and density functional theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set.

Synthesis, growth, structure and spectroscopic characterization of a new organic nonlinear optical hydrogen bonding complex crystal: 3-carboxyl anilinium p-toluene sulfonate.

A new organic nonlinear optical hydrogen bonding complex salt of 3-carboxyl anilinium p-toluene sulfonate has been synthesized and highly transparent good quality single crystals of it were successfully grown employing slow solvent evaporation solution growth technique at ambient temperature. The (1)H and (13)C NMR spectra were recorded to establish the molecular structure. The single crystal XRD analysis carried out reveals that the title salt crystallizes in monoclinic crystal system with non-centrosymmetric P2₁ space group.

Molecular structure, vibrational investigation of 2-chloro-α-α-α-trifluoro-3,5-dinitrotoluene using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) and UV-Vis absorption spectra in organic solvents: a IEF-PCM/TD-DFT study.

Theoretical Spectrograms (IR and Raman) have been constructed and compared with the experimental FT-IR and FT-Raman spectra. The effect of solvent polarity on the optimized structure is studied by the density functional theory calculation (LSDA, B3LYP, B3PW91 and MPW1PW91 with 6-311++G(d,p)) in gas phase and selected solvents benzene (non-polar solvent), tetrahydrofuran THF (polar aprotic solvent), DMSO, Methanol (polar solvent) and water (protic solvent). In addition variation of dipole moment and charges on atoms in the solvents are studied.

Crystal growth, spectral, optical and thermal properties of semiorganic nonlinear optical material: picolinic acid hydrochloride.

The bulk single crystal of 2-picolinic acid hydrochloride (PHCL) (a semi-organic nonlinear optical material of dimensions 25×15×10 mm(3)) was successfully grown by slow solvent evaporation technique. The XRD results revealed the cell parameters and the centrosymmetric nature of the crystal structure. FT-IR spectral study identified the functional groups, nature of bonding and their bond strength.

Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride.

The present work deals with the structural, electronic, and vibrational analyses of the biomolecule 2,4,5-trichlorobenzene sulfonyl chloride (TCBSC). TCBSC is a novel pharmaceutical compound used in dyes, pesticides, pigments, fluorescence brighteners and intermediate for agricultural chemicals in the manufacture of insecticides. Quantum chemical calculation of geometrical structure and energies of TCBSC was carried out by density functional theory (B3LYP) and ab initio (HF) methods at 6-311+G(d,p) and 6-311++G(d,p) standard basis set.

Synthesis, growth, spectral and thermal properties of a new organic crystal: 2-carboxypyridin-1-ium trichloroacetate.

A novel organic optical material complex of 2-carboxypyridin-1-ium trichloroacetate has been synthesized and crystals were grown from aqueous solution employing the technique of controlled evaporation. The crystal structure has been determined using single crystal X-ray diffraction studies. The single crystals were successfully grown by the slow evaporation method with dimensions 12 × 8 × 3 mm(3).

Spectral, thermal and optical properties of adenosinium picrate: a nonlinear optical single crystal.

A new organic nonlinear optical material adenosinium picrate (C10H14N5O4+, C6 H2 N3 O7-) was synthesized. The single crystal X-ray diffraction revealed the non-centrosymmetric crystal structure, which is an essential criterion for second harmonic generation. The crystalline nature of the grown crystals was confirmed using powder XRD techniques.

Vibrational spectroscopy investigation and HOMO, LUMO analysis using DFT (B3LYP) on the structure of 1,3-dichloro 5-nitrobenzene.

Vibrational spectral measurements, namely, FT-infrared (4000-400 cm(-1)) and FT-Raman (3500-50 cm(-1)) spectra have been made for 1,3-dichloro 5-nitrobenzene (DCNB) and assigned to different normal modes of the molecule. Optimized geometrical structure, harmonic vibrational frequencies, intensities, Mulliken's net charges and several thermodynamic parameters in the ground state have been computed by the B3LYP, density functional method using 6-311+G(d,p),6-311++G(d,p) basis sets. Complete assignments of the observed spectra have been proposed.

Spectral, thermal and optical properties of L-tryptophanium picrate: a nonlinear optical single crystal.

A new organic nonlinear optical material L-tryptophanium picrate was synthesized. From the powder XRD pattern the various planes of reflections were identified. The grown crystals were subjected to FT-IR and (1)H NMR spectral analyses to confirm the synthesized compound.

Growth of ninhydrin single crystal and its characterization.

A novel organic nonlinear optical crystal ninhydrin having good optical quality was grown by solution technique using aqua solution. The quality of the crystal was also examined by high-resolution X-ray diffraction study. Solubility studies were made at different temperatures.

Growth and characterization of glycine picrate single crystal.

Glycine picrate (GP), an organic material, was synthesized and successfully grown by solution growth method. Cell parameters of the grown crystals were obtained from the single crystal X-ray diffraction analysis and the presence of functional groups was identified by FTIR study. Its optical properties were examined by UV-vis-NIR analysis, which shows that the crystal is transparent between the wavelengths 400 nm and 1000 nm.