Theoretical Insights into the Structural and Optical Properties of D-π-A-based Cyanostilbene Systems of α and β Variants.

The π-conjugated organic molecules containing cyanostilbene motifs have been extensively investigated due to their great potential applications in several optoelectronic and biological fields. Developing efficient molecules in this respect requires strategic structural engineering and a deep understanding of the structure-property relationship at the molecular level. In this context, understanding the impact of positional isomerism in cyanostilbene systems is a fundamental aspect of designing desired materials with improved photophysical properties.

Thriving at work, career calling, and moral distress among nurses.

Background: Emergency nurses who thrive at work experience positive emotions that help reduce burnout and thus enhance career calling. However, few studies have focused on the relationships among thriving at work, career calling, and moral distress among emergency nurses.

Objectives: To investigate the relationships among thriving at work, career calling, and moral distress and to explore the mediating role of career calling in the relationship between thriving at work and moral distress among emergency nurses.

Privacy preserving data sharing method for social media platforms.

Digital security as a service is a crucial aspect as it deals with user privacy provision and secure content delivery to legitimate users. Most social media platforms utilize end-to-end encryption as a significant security feature. However, multimedia data transmission in group communication is not encrypted.

Ecofriendly and low-cost bio adsorbent for efficient removal of methylene blue from aqueous solution.

A novel bio adsorbent was fabricated from turmeric, polyvinyl alcohol and carboxymethyl cellulose for MB dye removal. The physicochemical, antibacterial and biodegradable nature of the film was evaluated using scanning electron microscopy, optical microscopy, universal testing machine, water contact angle, thermogravimetric analysis, Fourier transform infrared spectroscopy, X-ray diffraction, agar disc diffusion method and soil degradability. The inclusion of turmeric into PVA/CMC film improves the biodegradability, antibacterial activity and thermomechanical property of the films.

'Can we predict aggression?'-Determining the predictors of aggression among individuals with substance use disorder in China undergoing enforced detoxification through machine learning.

Background: The general aggression model has shown that both individual and situational factors can predict aggression. However, past research has tended to discuss these two factors separately, which might lead to inconsistency. This study addresses this gap by examining the importance of each predictor of aggression in a Chinese compulsory drug treatment population and further explores the predictors of aggression in various substance use disorder populations.

How Gig Worker Responds to Negative Customer Treatment: The Effects of Work Meaningfulness and Traits of Psychological Resilience.

The negative interpersonal interaction between customers and platform gig workers has become a problem for platform owners and government. This study investigates the role of negative customer treatment in the context of gig work and its impact on gig workers' sabotage behavior. A questionnaire survey approach was used in the study, collected three-wave survey data from 258 Chinese gig workers including food-deliver platform workers and app-based ride-hailing drivers.

Adsorption of methylene blue dye from aqueous solution by a novel PVA/CMC/halloysite nanoclay bio composite: Characterization, kinetics, isotherm and antibacterial properties.

Here the fabrication of a novel PVA/CMC/halloysite nanoclay membrane for the effective adsorption of cationic dye (methylene blue, MB) from aqueous environment is reported. The membranes were analyzed through scanning electron microscopy (SEM), optical microscopy (OM), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), contact angle and universal testing machine (UTM) analysis. The adsorption behavior of the membrane in terms of nanoclay loading, contact time, initial concentration of MB, pH and temperature were also discussed.

Removal of anionic dye Congo red from aqueous environment using polyvinyl alcohol/sodium alginate/ZSM-5 zeolite membrane.

In this study, a novel PVA/SA/ZSM-5 zeolite membrane with good regeneration capacity was successfully prepared by solvent casting technique. The properties of the membranes were assessed by employing different characterization techniques such as X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscope (SEM), optical microscopy (OP), thermogravimetric analysis (TGA), contact angle and universal testing machine (UTM). XRD, TGA and UTM results revealed that the crystallinity and thermo-mechanical performance of the membrane could be tuned with zeolite content.

Isophthaloyl-Based Selective Fluorescence Receptor for Zn (II) Ion in Semi-Aqueous Medium.

A novel Isophthaloyl-based symmetrical (12E,21E)-N1',N3'-bis(2-hydroxybenzylidene) isophthalohydrazide, receptor (1) was synthesized and characterized using various spectroscopic technique. The reorganization ability of receptor (1) was evaluated in semi-aqueous medium and shows significant enhancement in fluorescence intensity for Zn (II) ion over various metal ions in CHCN:HO (1:1, v/v). The 1:2 binding stoichiometry between receptor (1) and Zn (II) ion was established using Job's plot and the proposed complex structure was calculated by applying Density Functional Theory (DFT) method.

Corrosion inhibition of aminated hydroxyl ethyl cellulose on mild steel in acidic condition.

Aminated hydroxyethyl cellulose (AHEC) was synthesized, characterized using Fourier Transform Infrared spectroscopy (FTIR) and the corrosion inhibition of AHEC on mild steel in 1M HCl was studied using chemical and electrochemical studies. Results obtained in weight loss method showed that inhibition efficiency increased with increase in concentration of AHEC. The adsorption of the inhibitor on metal surface followed Frumkin isotherm.

Interactions at the mild steel acid solution interface in the presence of O-fumaryl-chitosan: Electrochemical and surface studies.

The performance of synthesised O-fumaryl-chitosan (OFC) as corrosion inhibitor for mild steel in 1M HCl has been evaluated through various studies. The initial screening by weight loss method revealed the good inhibition efficiency by the inhibitor. Thermodynamic and kinetic parameters have been calculated and discussed.

HOMO-LUMO, UV, NLO, NMR and vibrational analysis of 3-methyl-1-phenylpyrazole using FT-IR, FT-RAMAN FT-NMR spectra and HF-DFT computational methods.

In this paper, the spectral analysis of 3-methyl-1-phenylpyrazole is carried out using the FT-IR, FT Raman, FT NMR and UV-Vis spectra with the help of quantum mechanical computations using HF and density functional theories. The different conformers of the compound and their minimum energies are studied using B3LYP functional with 6-311+G (d,p) basis set and the most stable conformer with minimum energy was identified and the same conformer was used for further computations. The computed wave numbers from different methods are scaled so as to agree with the experimental values and the scaling factors are reported.

Bilingual memory representations in less fluent Chinese-English bilinguals: an event-related potential study.

The present study was designed to investigate bilingual memory representations in less fluent Chinese-English bilinguals and the effect of word familiarity on bilingual memory representations with a translation priming paradigm and the event-related potential (ERP) technique. Three factors (translation order, word familiarity, and repetition status) were manipulated in this study, and the major dependent variable was the magnitude of the N400 repetition effect, which is related to semantic expectation and is an important physiological index of language processing. The results confirmed the asymmetry in bilingual memory with stronger L2-LI links compared to L1-L2 links in less fluent Chinese-English bilinguals, and that word familiarity was an important factor in the memory representations of these less fluent bilinguals.

Corrosion mitigation of N-(2-hydroxy-3-trimethyl ammonium)propyl chitosan chloride as inhibitor on mild steel.

The biopolymer N-(2-hydroxy-3-trimethyl ammonium)propyl chitosan chloride (HTACC) was synthesised and its influence as a novel corrosion inhibitor on mild steel in 1M HCl was studied using gravimetric and electrochemical experiments. The compound obtained was characterised using FTIR and NMR studies. The inhibition efficiency increased with the increase in concentration and reached a maximum of 98.

Insilico studies of organosulfur-functional active compounds in garlic.

Garlic has been used medicinally since antiquity because of its antimicrobial activity, anticancer activity, antioxidant activity, ability to reduce cardiovascular diseases, improving immune functions, and antidiabetic activities and also in reducing cardiovascular diseases and improving immune functions. Recent studies identify that the wide variety of medicinal functions are attributed to the sulfur compounds present in garlic. Epidemiological observations and laboratory studies in animal models have also showed anticarcinogenic potential of organosulfur compounds of garlic.

Theoretical studies of different tautomers of anti cancer drug: dichloroacetate.

The structure and relative energies of the tautomers of dichloroacetate are predicted using Hartree Fock method. The infrared spectra of two dominant tautomers are calculated in the density functional theory. Good agreement between calculated (DFT) and experimental harmonic vibrational frequencies is found.