A series of furan derivatives tebufenozide analogues comprising five compounds (2, 3, 4, 5, and 6) have been designed and synthesized via reaction of N'-phenylfuran-2-carbohydrazide (1) with different acid chlorides. The structures of the synthesized compounds were identified by elemental analyses and spectroscopic data. The analogues compounds have the active center of tebufenozide (mimic) with change of tertiary butylhydrazine by phenylhydrazine. Studying the effect of this change on the toxicological activity against Spodoptera littoralis larvae was performed for three compounds of the synthesized ones. Toxicological activity data showed that compound (3) is more active than compounds (2) and (5)

The study provides the forecasts of expected returns based on cross-sectional estimates from the Fama-Macbeth regressions in the United Kingdom. We collected the data of listed firms on the London Stock Exchange on the DataStream from January 1980 to December 2020. We analyze the data sample by employing three cross-sectional models' ten-year rolling estimates of Fama-Macbeth slopes. The empirical findings demonstrate that an investor can derive a composite estimate of the expected return by integrating various company-specific variables in real-time. Model 1 indicates that the expected-return estimates have a predictive slope for future monthly returns of 95.07%, with a standard error of 0.1981. Moreover, model 2 and model 3 report the predictability of returns are 77.57% and 76.94%. In short, our empirical evidence suggests that investors and stakeholders may consider using model 1 to estimate the cost of equity due to its simplicity and effective prediction capability. Our findings are consistent with trade-off theory and prior literature.

The FTIR and Raman spectra of dopamine were also recorded in the spectral region 20 - 4000 cm^-1 and 400 - 4000 cm^-1 respectively. The optimized molecular geometry and fundamental vibration frequencies are interpreted using structural optimizations based on the DFT method. The B3LYP / 6-311G (d, p) was used to determine the calculations of the chemical descriptor. The dopamine (DA) molecule can acquire a maximum charge of 0.513 eV from its environment. To understand the molecular interactions of Dopamine, the MEP is a crucial tool. Nonlinear optical descriptors (NLO) and the lengths, bond angles are also determined by DFT and MP2 methods. The DFT method was used to determine the chemical shifts of ¹H and ¹³C of the product. These constants have been calculated by employing the GIAO (Gauge-Including-Atomic-Orbit), CSGT (Continuous Set of Gauge Transformations) and IGAIM (Individual Gauges for Atoms In Molecules) methods at the B3LYP/6-311G (d, p). The comparison of the theoretical chemical shifts with the experimental ones shows that the CSGT method is the best.

The synthesis, anticancer and antimicrobial properties of novel N-aryl-2-(5-aryltetrazol-2-yl)acetamides were discussed. Novel N-aryl-2H-tetrazoles were synthesized and modified in order to obtain the compounds with a satisfactory pharmacological profile. The structures of target substances were confirmed by using ¹H spectroscopy, mass spectrometry and elemental analysis. Anticancer activity screening was carried out within the framework of Developmental Therapeutic Program of the National Cancer Institute's (DTP, NCI, Bethesda, Maryland, USA). The compounds with significant levels of anticancer activities have been found that can be used for further optimization. The antimicrobial activity of the synthesized substances was evaluated by the value of the MIC and minimum fungicidal and bactericidal concentration. The findings exhibited that the compounds possessed moderate antimicrobial potential.

With the complication of the business environment of commercial economic activity, competition intensifies, which threatens the bankruptcy of enterprises, the prevention of which requires quality monitoring and timely identification of crises using methods of comprehensive assessment and analysis of economic security. This research is aimed at conducting component-by-component and, as a result, integrated assessment of the state of economic security of the enterprise. Methodological research tools include analysis of the main components, causation and vector regression modeling. A resource-functional security model is developed (which consists of partial indicators and components of economic security of business) and a resource-functional approach to calculations is also applied. Using the data of the expert survey, the values of indicators of structural components of economic security of the enterprise are determined. Using the resource-functional approach, the integrated values of sub-indices and the integral values of the general level of economic security of the enterprise are calculated. According to the results of the assessment, it is established that the integrated level of economic security of the enterprise is 7.04 (sufficient level of security). However, the components of economic security identified critically low values, namely - the financial component (0.452), the information component (0.554), the institutional and legal component (0.647). The results of the study are of practical value for the development of technological schemes - algorithms for strengthening the financial, informational and institutional and legal security of the enterprise, making sound (using economic and mathematical tools) management decisions to ensure the trajectory of sustainable economic development.

Natural organic pigments such as carotenoids, betalains, anthocyanins, and carminic acid are notably found as safer food preservatives compared to other harmful synthetic chemicals. Due to glycosylation and acylation, betalains exhibit a broad-spectrum antimicrobial functionality with protection against degenerative diseases. Thus, betalains have been investigated as a potential bacterial inhibitor for food preservative applications. Initially, 36 betalain derivatives have been taken for primary screening using molecular docking. Afterward, the top ten ligands are taken for further study and analysis. The results of Prediction of Activity Spectrum of Substances (PASS) assured the antibacterial capabilities of betalains, and Lipinski's rule-of-five ensures the acceptability of the selected ligands as antibacterial inhibitors. The bacterial pathogens, such as C. botulinum (3FIE), E. coli (2ZWK), and S. typhi (3UU2) are selected for molecular docking by these betalain pigments. Furthermore, ADMET investigations and QSAR studies are performed to check insights into the bacterial inhibition process. Most active and common binding sides were observed at GLY159, ASN165, and SER166 for C. botulinum, at ASP8, LYS40, and TRP50 for E. coli; and at ARG37, GLN5, and ARG74 for S. typhi. The present study clearly shows an excellent insight towards the invention of plant-based new organic inhibitors to face the challenges of bacterial-resistant common food preservatives.

Demand elasticity is the sensitivity of changes in the number of goods demanded by consumers due to changes in the price of goods. This paper compares the price elasticity of demand with and without memory effect using fractional-order derivatives. This study is designed using the development theory of fractional derivatives for the economic field in determining the price elasticity of demand. The result of numerical simulation using the value of α and p indicated that the price elasticity of demand with memory effect is more accurate than without the memory effect. Furthermore, this study concluded that the price elasticity of demand does not only depend on the latest price (current price) but changes in all prices from a specific time interval. The findings of this study suggest future studies can examine the phenomenon of market equilibrium using fractional-order derivatives.

The development of three simple, precise, efficient, and accurate spectrophotometric techniques that manipulate ratio spectra is undertaken to measure Ivabradine and Carvedilol simultaneously in bulk and tablet formulation. Applying mathematical calculations like the ratio derivative, first-order ratio derivative and ratio derivative subtraction method has been used for determination of CVD and IBD. For Carvedilol, the calibration curve is linear between concentrations of 40–65 µg/mL and 50–81.25 µg/mL for Ivabradine. These strategies have been put into practice and used for analyzing marketed pharmaceutical formulations. Further, the outliers were statistically assessed by using Grubb’s test and found, as null hypothesis cannot be rejected. The suggested approach was evaluated using four green evaluation approaches with which these tools found an excellent green outcome. Altogether, the proposed method was found to be a simple, sensitive, accurate and eco-friendly method for the analysis of drugs that have overlapping properties in the UV spectrum.

In this article, we analyse whether the management structure of a company plays a role in the sustainability of companies. More specifically, we study the impact of occupied outside directors, outside directors sitting on several boards of directors, on the environmental, social and governance (ESG) performance of the company. We collect information about board characteristics, information about the board and management from MSCI ESG Research and financial information from Compustat. The study collects data based on panel data, which ranges from 2014 to 2020. The final sample consists of 550 US companies over a five-year period and contains 3850 firm-year observations. The study finds a positive relationship between busy outside directors and ESG performance. Busy outside directors have a positive impact not only on the overall ESG score, but also on individual ESG components. The environmental score is most affected by busy external directors, while the governance score appears to be little affected. Contrary to the theory that busy outside directors are overly engaged and degrade the fixed value, the findings support the theory that busy outside directors improve a company's sustainability performance because of their engagement, experience and the ESG performance.

In this research article, four chromophores based on benzoxazine as the electron donor and tricyanovinyl dihydrofuran (TCF) as the electron acceptor have been designed to investigate the nonlinear optical (NLO) response. The geometric and electronic structures, absorption spectra, NBO analysis, and nonlinear optical response have been calculated by employing density functional theory (DFT) at PBEPBE/6-31G (d,p). The new design of chromophores has been proposed by the structural modification of π-spacers/conjugated systems. The DFT and TD−DFT computations at CAM−B3LYP/6−31G (d,p) have been performed to shed light on the influences of structural modification on the NLO properties. The absorption wavelength in different organic solvents, polarizability (α), and hyperpolarizability (β) are all determined. A strong NLO response indicates that this family of organic compounds with a D-π-A structure exhibits large first hyperpolarizability βtot values, these values are much greater than ones of urea. This theoretical model may be used to design other chromophores for usage in electro-optics.