Chemical Data Collections最新文献

A new series of amides of pyridin-3-yl)imidazo[2,1-b][1,3,4]thiadiazoles (13a-j) have been developed and confirmed by ¹HNMR, ¹³CNMR and mass spectral data. Further, in the vitro anticancer activity of newly prepared compounds 13a-j was examined against four human cancer cell lines including MCF-7 & MDA MB-231 (human breast cancer), A549 (human lung cancer) and DU-145 (human prostate cancer) by employing the MTT assay, and using etoposide as a standard reference. These results indicated that the most of the derivatives displayed excellent to moderate anticancer activity. Among the five compounds 13a, 13b, 13c, 13d and 13e demonstrated remarkable activity as standard. One of the compounds 13a displayed excellent activity.

A new library of sulfonamide derivatives of benzothiazol-quinoline-pyrazole (11a-j) were design and synthesized and their chemical structures were confirmed by ¹HNMR, ¹³CNMR and mass spectral data. Further, all derivatives were evaluated for their preliminary anticancer applications against a panel of four human cancer cell lines such as prostate cancer cell (PC3), lung cancer cell (A549), breast cancer cell (MCF-7) and prostate cancer cell (DU-145) by using of MTT method and the obtained results were expressed with IC₅₀ µM. Most of the screened compounds were displayed moderate to good activity and etoposide utilized as positive control. Among them, five compounds 11a, 11b, 11 h, 11i and 11j were revealed more potent activities.

This paper investigates the mixed convective pour of a nanofluid through warmth as well as accumulation transport induced by the vertical rotation of a permeable truncated cone. The study considers convective-type thermal boundary conditions and zero nanoparticle mass flux conditions. The effects of thermophoresis and Brownian motion have been integrated into the present nanofluid model. To transform the coupled non-linear border line sheet equations into dimensionless partial differential equations, a set of non-similarity transformations is introduced. The ensuing PDEs are then numerically figured out using a Spectral collocation method in conjunction with the local linearization technique. To authenticate the numerical technique, the obtained outcomes are in contrast to with established findings in a specific case. The manipulate of a variety of corporeal constraints inactive on the tangential and swirl velocities of the nanofluid, as well as warmth, hard volume fraction, as well as exterior drag, warmth, as well as accumulation transport characteristics, are discussed.

A polemic is given regarding the volumetric properties reported by Ramadevi and coworkers for binary systems containing either ethylene glycol or glycerol mixed with either hexane or cyclohexane or benzene. The six binary systems studied by the authors are not completely miscible, and separate into a polyhydroxy alcohol-rich liquid phase and an alkane-rich liquid phase.

Using the Hydrothermal technique, a series of trivalent Ce³⁺/Ho³⁺co-doped LaPO₄ nanophosphors were synthesised and exhibited good luminous qualities in both the (UC) and (DC) regimes. At 279–300 nm excitation, DC peaks at 365 nm, 460, 542, and 650 nm were seen, along with a minor non-radiative resonance energy transfer and a highly hazy P-O Charge Transfer (CT) band of Ho³⁺ions. We find that the (UC) nanophosphor LaPO₄: Ce³⁺/Ho³⁺allows a strong 980 nm laser stimulation, causing the UC emission spectra to exhibit prominent Ho³⁺ ion resulting in peaks at 460, 542 and 650 nm as well as weak emission peaks at 300–360 nm. Future applications for these co-doped Ce³⁺ and Ho³⁺ ion monoclinic LaPO₄ nanocrystals are anticipated to include better optical materials. Ultimately, many potential uses in various industries, from sophisticated display technologies to biomedical imaging and beyond, are made possible by the production and characterisation of co-doped Ce³⁺/Ho³⁺ ion nanophosphors in LaPO₄ matrices. The realisation of useful systems and technologies utilising the special qualities of these nanocrystals may result from more study and development in these fields.

The current study focuses on investigating the corrosion-inhibitory characteristics of the Schiff base (E)-N-benzylidene-4-nitrobenzenamine. The efficacy of the compound in preventing mild steel (MS) corrosion in a 1 M HCl solution was assessed using mass loss, potentiodynamic polarization, and electrochemical impedance spectroscopy techniques (EIS). In addition, measurements of polarization resistance suggested that the substance functions as a mixed-type inhibitor, primarily functioning as a cathodic inhibitor. EIS revealed that the compound impedes corrosion by increasing the charge transfer resistance at the interfaces between the metal and solution. The (E)-N-benzylidene-4-nitrobenzenamine compound conformed to the Langmuir adsorption isotherm. Additional confirmation of the development of a protective layer on MS surfaces was established through examinations using SEM (Scanning Electron Microscopy), and AFM (Atomic Force Microscopy). DFT (Density Functional Theory) studies and MD simulations were utilized to augment comprehension of corrosion inhibition mechanisms and adsorption characteristics.

The potential anti-corrosion effect of Erythrina Variegata Linn leaf extract on steel in 0.5 M H₂SO₄ solution is investigated in this work. On the steel surface, the extract created a layer of protection, which showed maximal efficiency in resisting the corrosion at 88.88%, this was particularly evident at a 1000 mg/L concentration. To verify its potential to inhibit corrosion, a range of analytical methods were used, such as UV, SEM, phytochemical screening, electrochemical measurements, and quantum chemical investigations. The presence of double bonds and heteroatoms in the chemical constituent is responsible for inhibiting corrosion. Instrumentation such as UV analysis provides detailed insights into molecular interactions, aiding in the understanding of inhibitive mechanisms. The corrosion inhibition capacity rises up on increasing Erythrina Variegata Linn till 1000 ppm. Based upon quantum chemical calculations, 6‑hydroxy genistein has more adsorption capacity than Alpinum Isoflavone. This investigation determined the potential utility of Erythrina Variegata Linn leaf extract as a sustainable, environmentally benign inhibitor of steel corrosion in harsh environments like 0.5 M H₂SO_4.

The assessment of the corrosion inhibitory efficacy of two novel pyridine derivatives, specifically (E)-2-(5-(2-chlorobenzyl)-6-oxo-3-styrylpyridazin-1(6H)-yl)acetic acid (CO4) and (E)-6-(4-hydroxystyryl)pyridazin-3(2H)-one (CO38), was conducted through Numerous methods, such as Potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis, UV–visible spectroscopy, and theoretical calculations, were used to evaluate the effectiveness in preventing corrosion for carbon steel (C.S). In response to the increasing demand for environmentally friendly and biodegradable products, CO38 and CO4 inhibitors were used. Tests revealed that CO38 and CO4 inhibitory efficacy increased with concentration, reaching 96.2 % and 93.7 %, respectively. In a 1 M HCl solution, PDP investigations demonstrated that these inhibitors act as mixed-type inhibitors. Scanning electron microscopy (SEM) revealed the creation of protective layers that prevent C.S dissolution in the acid solution. These findings were supported by theoretical investigations that employed density functional theory (DFT) and molecular dynamics (MD) simulations.

Except for orange juice, the remainder is major waste created during orange processing. Indeed, this residue is an issue in the citrus business since its chemical makeup is more complex than other agro-industrial wastes like peels and seeds. Orange peels conceal within them valuable resources in the form of wax and aromatic oil, comprising a mixture of hydrocarbons and other chemical compounds. While in India, orange peels are typically perceived as domestic waste or consigned to landfills, they possess a rich history of traditional applications in medicine and insect repellent. This study aims to produce biodiesel from orange peel oil via trans-eterification process in reactive distillation transforming waste into wealth. Experimental outcomes demonstrate that revamping the reboiler duty and reflux ratio within specified ranges achieves the highest purity level of 96 %, corresponding to a reboiler duty of 6824.28 BTU/hr and a reflux ratio of 4.

Reactive distillation being highly complex and non linear in nature, a time varying control study is must. In view of this, dynamic simulations is performed that reveal at methanol flow rate of 0.07 liters per minute, a reboiler duty of 6810 BTU/hr can be retained corresponding to highest purity level. Characterization of the B20 biodiesel from orange oil (comprising 20.00 % biodiesel and 80.00 % diesel) showcases its suitability, with a basic pH of 7.6, a density of 872 kg/m³, a viscosity of 2 cSt, and a flash point of 180 °C.

Economic Analysis is another important aspect of any research. Comparison between the two production processes were made in terms of the economic indicators such as Return-On-Investment (ROI) and payback period. The simulation results show that the reactive distillation catalyzed is more economically advantageous than the conventional process for biodiesel synthesis due to a much higher ROI, and lower payback period.

Electrocoagulation is an advanced process that ensures efficiency in treating effluents containing heavy metals. The cost minimization through the reuse of scrap metal as electrodes gains prominence due to its high efficiency. This study aimed to evaluate and establish an optimized system for Cr(VI) electrocoagulation using scrap iron electrodes. The optimized system was derived through a series of experimental designs such as Plackett–Burman and Central Composite Rotatable Design, considering variables such as pH, Cr(VI) concentration, system temperature, agitation, applied electrical current, and reaction time. The results demonstrated that an efficient and optimized system for Cr(VI) removal through electrocoagulation using scrap iron electrodes, achieved for a 1 L volume, involves the use of: a current of 0.7 A, pH 1.5, 0.75 mg L⁻¹ of NaCl, and a time range of 30–45 min for concentrations ranging from 80 to 150 mg L⁻¹.