Octahedral copper(II) carboxylate complex: synthesis, structural description, DNA-binding and anti-bacterial studies

<p>Self-assembly of CuSO₄, <i>para</i>-methyl-2-phenyl acetate and 1,10-phenanthroline afforded good-quality crystalline complex in quantitative yield. The complex was characterized by FTIR and UV-visible spectroscopy, electrochemistry, and powder and single-crystal XRD studies. Its structure was found to possess axially elongated octahedral symmetry with CuO₄N₂ chromophore. Its purity was assessed by powder XRD spectrum. Absorption study yielded a broad band corresponding to ²E_g→²T_2 g transition. Electrochemical solution study indicated diffusion-controlled irreversible electron transfer process corresponding to Cu(II)/Cu(I) redox couple with diffusion coefficient = 7.89(±0.1)×10⁻⁹ cm²s⁻¹. Results of spectroscopic techniques support each other. Complex exhibited excellent DNA-binding ability through UV-visible spectroscopy and cyclic voltammetry yielding <i>K</i>_<i>b</i> values 1.399 × 10⁴ M⁻¹ and 5.81 × 10³ M⁻¹, respectively. The complex exhibited significant activity against bacterial strains <i>Escherichia coli</i>, <i>Micrococcus luteus</i> and <i>Staphylococcus aureus</i> and good activity against <i>Bacillus subtilis</i>. These preliminary studies impart good biological relevance on the synthesized complex.</p

Decoding men’s behavioral responses toward green cosmetics: an investigation based on the belief decomposition approach

Due to changes in global trends, men’s grooming behavior in relation to their appearance is deemed one of the drivers in the rising popularity of men’s cosmetic products. Unlike previous studies, this study focused on men and aimed to examine the determinants of consumers’ intentions toward buying green cosmetic products by using the belief decomposition approach (BDA) of the theory of planned behavior (TPB). Purposive sampling was employed and 322 valid responses were collected. A PLS-SEM was employed to test the hypotheses. The results demonstrate that attitude (ATT), subjective norm (SN), and perceived behavior control (PBC) positively influence consumers’ intentions. Similarly, nutritional content, health consciousness, and environmental consciousness are positively associated with ATT, but animal welfare has an insignificant association with ATT. In addition, mass media and family influence are positively associated with SN. Moreover, self-efficacy positively influences PBC, but facilitating conditions have an insignificant association with PBC.</p

Synthesis, characterization, single crystal XRD and biological screenings of organotin(IV) derivatives with 4-(2-hydroxyethyl)piperazine-1-carbodithioic acid

<p>Organotin(IV) thiocarboxylates R₂SnL₂ (R = Me: <b>1:</b> Ph: <b>2</b>)/R₂(Cl)SnL (R = <i>n</i>-Bu: <b>3</b>; Ph: <b>4</b>)/R₃SnL (R = Me: <b>5</b>; <i>n</i>-Bu: <b>6</b>; Ph: <b>7</b>), where L = 4-(2-hydroxyethyl)piperazine-1-carbodithioate, have been synthesized by stirring together 1,2-hydroxyethylpiperazine and CS₂ in methanol, and then refluxing with a di-/triorganotin chloride. The synthesized products have been characterized by various spectroscopic (IR, ¹H NMR, ¹³C NMR, EI-MS) techniques and single crystal XRD. FT-IR data indicate bidentate binding of the ligand. The magnitude of ²<i>J</i>(¹¹⁹Sn–¹H) demonstrated a skew trapezoidal environment around tin(IV) in <b>1,</b> whereas the metal geometry in <b>5</b> was between distorted tetrahedral and trigonal bipyramidal in solution. ¹³C NMR revealed four- and five-coordinate environments in <b>6</b> and <b>7</b>, respectively, in non-coordinating solvent. EI-MS data agreed very well with the structural skeleton of the products. Single crystal XRD study has shown skew trapezoidal- and trigonal-bipyramidal Sn(IV) in <b>1</b> and <b>7</b>, respectively. Compound <b>6</b> interacted with salmon sperm DNA (SS-DNA) with significant hypochromic effect and an intercalating mode of binding. Diorganotin(IV) derivatives (<b>2</b> and <b>3</b>) generally exhibited poor antibacterial/antifungal potential as compared to their trialkyltin(IV)/triaryltin(IV) counterparts (<b>5</b> and <b>6</b>). The <i>in vitro</i> hemolytic activities show that average lysis of human red blood cells caused by <b>1</b>–<b>7</b> was significantly lower compared to triton X-100 (positive control, 100% lysis) and not very much higher than PBS (negative control, 0% lysis).</p

DataSheet1_Aluminum Doping Effects on Interface Depletion Width of Low Temperature Processed ZnO Electron Transport Layer-Based Perovskite Solar Cells.docx

Rapid improvement in efficiency and stabilities of perovskite solar cells (PSCs) is an indication of its prime role for future energy demands. Various research has been carried out to improve efficiency including reducing the exciton recombination and enhancement of electron mobilities within cells by using electron transport material (ETM). In the present research, electrical, optical, and depletion width reduction properties of low temperature processed ZnO electron transport layer-based perovskite solar cells are studied. The ZnO thin films vary with the concentration of Al doping, and improvement of optical transmission percentage up to 80% for doped samples is confirmed by optical analysis. Reduction in electrical resistance for 1% Al concentration and maximum conductivity 11,697.41 (1/Ω-cm) among the prepared samples and carrier concentration 1.06×1022 cm−3 were corroborated by Hall effect measurements. Systematic impedance spectroscopy of perovskite devices with synthesized ETM is presented in the study, while the depletion width reduction is observed by Mott Schottky curves. IV measurements of the device and the interfacial charge transfer between the absorber layer of methylammonium lead iodide and ETM have also been elaborated on interface electronic characteristics.</p

Synthesis and characterization of hetero-bimetallic complexes with 2-mercapto-5-methyl-benzimidazole: theoretical study and biological activities

<div><p>Heterobimetallic complexes have been synthesized by stirring 2-mercapto-5-methylbenzimidazole with carbon disulfide in methanol at room temperature. In the second step, the product was treated with R₂SnCl₂/R₃SnCl (R = Me, <i>n</i>-Bu, Ph) in 1 : 1 M ratio, then organotin(IV) complexes were treated with HgCl₂ in 2 : 1 M : L ratio to yield heterobimetallic complexes. The ligand and complexes have been characterized by elemental analysis, IR, ¹H- and ¹³C NMR spectroscopy, mass spectrometry (EI-MS), and semiempirical study to assess the binding mode of the heterobimetallic complexes. IR data showed the bidentate nature of the dithiocarbamate moiety, which is also confirmed by semiempirical study. Mass spectra correspond to the expected for the complexes. NMR spectroscopy confirmed the four-coordinate geometry in solution. Computed molecular descriptors, thermodynamic parameters, and electrostatic surface potential map of <b>4</b> were calculated by using the PM6 method. Biological screening data indicated that complexes exhibit significant activity against various bacterial and fungal strains with few exceptions. Ligand and <b>6</b> are excellent for phagocyte reactive oxygen species inhibition.</p></div

Synthesis and spectroscopic and thermogravimetric characterization of heterobimetallic complexes with Sn(IV) and Pd(II); DNA binding, alkaline phosphatase inhibition and biological activity studies

<div><p>A palladium complex, [KLCSS]₂Pd (<b>1</b>), has been prepared by stirring sarcosine (HLH), KOH and CS₂ in methanol and subsequently treating with palladium(II) chloride. Six heterobimetallic derivatives of the type [R₂(Cl)SnLCS₂]₂Pd (R = Me: <b>2</b>; Bu: <b>3</b>; Ph: <b>4</b>)/[R₃SnLCS₂]₂Pd (R = Me: <b>5</b>; Bu: <b>6</b>; Ph: <b>7</b>) were also synthesized by stirring sarcosine (HLH) with KOH and CS₂ in methanol followed by an addition of R₂SnCl₂/R₃SnCl and then PdCl₂. FT-IR data demonstrated bidentate binding of dithiocarbamate and carboxylate with four- and five-coordinate environments around Pd(II) and Sn(IV) centers, respectively, in the solid state. UV–visible studies verified the square planar arrangement around Pd(II) in solution. The magnitude of ²<i>J</i>(¹¹⁹Sn-¹H) demonstrates a distorted trigonal bipyramidal geometry around tin(IV) in solution. Elemental analysis (C, H, N, and S), mass spectroscopic (EI-MS and ESI), and thermogravimetric analyses verified the chemical composition of products. Complexes <b>1–7</b> exhibited interaction with salmon sperm DNA (SS-DNA). The palladium complex <b>1</b> had shown higher potential to bind with SS-DNA and to inhibit the alkaline phosphatase when compared to the heteronuclear products (<b>2–7</b>). However, the antifungal/antibacterial activities of the bimetallic complexes (<b>2–7</b>) were significantly higher than the palladated derivative <b>1</b>. The <i>in vitro</i> hemolytic activity investigations on human red blood cells showed that bimetallic derivative <b>2</b> with chlorodimethyltin(IV) exhibited the lowest hemolytic effects (17.55%), while <b>5</b> having trimethyltin(IV) center exhibited the highest hemolytic activity (78.64%).</p></div

A new isoquinoline alkaloid with anti-microbial properties from <i>Berberis jaeschkeana</i> Schneid. var. <i>jaeschkeana</i>

<div><p>One new isoquinoline alkaloid named berberidione <b>(1)</b> along with four new source alkaloids berberine <b>(2)</b>, palmatine <b>(3)</b>, jatrorrhizine <b>(4)</b> and chondrofoline <b>(5)</b> and three new source non-alkaloids syringic acid <b>(6)</b>, β-sitosterol <b>(7)</b> and stigmasterol <b>(8)</b> was isolated and characterised from different fractions of <i>Berberis jaeschkeana</i> Schneid var. <i>jaeschkeana</i>. All the structures were determined from 1D and 2D spectroscopic data. Crude extract, sub-fractions and isolated compounds showed excellent anti-microbial properties. The toxicity level for the alkaloids was found to be very low on THP-1 cells.</p></div

Isolation, structure elucidation and enzyme inhibition studies of a new hydroxy ester and other compounds from <i>Berberis jaeschkeana</i> Schneid stem

<div><p>Bioassay-guided isolation and fractionation of <i>Berberis jaeschkeana</i> Schneid var. <i>jaeschkeana</i> stem resulted in the isolation and characterisation of a new long chain hydroxy ester named as berberinol (<b>1</b>) along with six known compounds (<b>2</b>–<b>7</b>). All the structures were established from 1D and 2D spectroscopic data. Crude extract, sub-fractions and all the isolated compounds were evaluated for their anti-fungal and urease enzyme inhibition properties. All of the sub-fractions and compounds showed good anti-fungal and urease enzyme inhibition properties. Minimum inhibitory concentrations (MICs) were calculated for all active samples in case of urease enzyme inhibition. MICs values were found to be in the range of 39.03–49.78 μg/mL for urease enzyme inhibition.</p></div

Exploring the tripartite model of brand hate: antecedents and consequences in the context of shopping malls

This study aims to examine the antecedents and consequences of brand hate in shopping malls, using a tripartite model of hate within the Cognitive-Affective-Behavioral (CAB) framework. A mall intercept survey was used to collect responses from Pakistan shoppers. Based on 461 valid responses, the proposed relationship between antecedents and outcomes of brand hate for shopping malls was assessed using PLS-SEM. The findings of this study indicate that four key antecedents- ideological incompatibility, symbolic incongruity, negative past experiences, and advertising incompatibility - significantly influence the tripartite model of brand hate (anger, fear, sadness) among shoppers in the context of malls. Moreover, this mall hate significantly impacts a range of six consequents, including mall avoidance, patronage reduction, negative word-of-mouth, third-party complaining, brand retaliation, and brand revenge. This study provides new insights into how mall managers can mitigate the effects of brand hate and improve the overall shopping experience.</p

Synthesis, characterization, HOMO–LUMO study, and antimicrobial activity of organotin(IV) complexes of 4-piperidine carboxamide and its Schiff base

<div><p>A series of organotin(IV) complexes has been synthesized by reacting 4-piperidine carboxamide with CS₂ and R₂SnCl₂/R₃SnCl in 1 : 1 M/L ratio at room temperature. The synthesized complexes were further treated with benzaldehyde to synthesize Schiff bases under stirring. All the complexes were characterized by elemental analysis, FT-IR, ¹H and ¹³C NMR. FT-IR and semi-empirical study confirm the bidentate nature of ligand. The complexes exhibit four-coordinate geometry in solution. Thermodynamic parameters and molecular descriptors were calculated by using semi-empirical PM3 method. HOMO–LUMO calculations show that chlorodiorganotin complexes are more susceptible to nucleophilic attack when compared with triorganotin complexes. Negative heats of formation at 298 K demonstrate that <b>1</b>, <b>4,</b> and <b>7</b> are thermodynamically stable. The antimicrobial results have shown that complexes containing Schiff base exhibit significantly better activity compared to complexes with carboxamide derivatives.</p></div