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We address the issue of inequalities in educational achievements among social groups, within the framework of Sustainable Development Goal 10 (SDG10). Despite efforts to distribute resources equitably and implement affirmative government actions, educational inequalities remain a significant challenge, partially due to the continuing impact of social group dynamics. Previous studies have emphasized the possibility of improving individual capabilities to address this issue. However, the quantitative studies that examine this issue are underexplored. We utilize data from the Indian Human Development Survey (IHDS) 2011–12 to examine the effect of individual capabilities and social group affiliations on educational achievements. We employ ordered logit regression, decomposition analysis, and instrumental variable approach to analyze the data. The findings of our study indicate that while government interventions and policies have had some impact, a more focused approach and policy change on individual capability is necessary. We propose a policy framework emphasizing early identification and development of key capabilities. These are mass media exposure, parental participation of professional groups, and good physical health, especially for marginalized sections. The study advocates for equipping schools with digital and mass media resources, establishing community programs for financial literacy, and engaging families to understand the importance of these capabilities. This dual approach aims to enhance individual capabilities and reduce the influence of social group dynamics, contributing to more equitable and inclusive educational outcomes and broader societal sustainability. The findings offer valuable insights for policymakers and contribute to the global debate on sustainable development and educational equality. [ABSTRACT FROM AUTHOR]

Phase change memory (PCM) technology is a strong contender for the next‐generation memory in today's data‐centric era. In3SbTe2 (IST) phase change material is recently explored due to its good thermal stability, rapid electrical switching, and significant resistance contrast for multibit storage. However, the main concern in PCM devices is the high‐energy usage during the phase switching process. Herein, a thin oxide (HfO2) layer is inserted between the IST active layer and bottom electrode in PCM device. Such a device exhibits amorphous‐to‐crystalline phase switching (crystallization or SET operation) at a lower voltage of (2.1 ± 0.1) V and 66% reduction in energy consumption compared to the device using only IST active layer. Higher temperature of 688 K is acquired in the device with the oxide layer demonstrating that the Joule heat is effectively confined by the oxide layer assisting the crystallization process in the active layer at a less voltage. Such a device also exhibits a significant resistance contrast of ≈2 orders magnitude, allowing for stable data storage. These results reveal that the switching performance of PCM device using IST phase change material is improved by the oxide layer, which is beneficial for energy‐efficient, nonvolatile data storage applications. [ABSTRACT FROM AUTHOR]

The unique property of fast and reversible switching between SET (crystalline, highly conductive) and RESET (amorphous, highly resistive) phases of phase change materials has led to its usage in non-volatile memory applications. The quest for new phase change materials with enhanced properties is of utmost importance for developing memory devices that meet the current demand for high speed, better data retention, and multi-bit storage capabilities. We report the systematic changes occurring in the optical bandgap (E g) and structural disorder (B 1 2 ) in In3SbTe2 (IST) phase change material during the transition from amorphous to crystalline phases employing UV–Vis–NIR spectroscopy. E g in IST ranges from 0.998 (amorphous) to 0.449 eV (crystalline), revealing higher bandgap values compared to widely used Ge2Sb2Te5. An increment of 22.7% in the Tauc parameter (B 1 2 ) slope, which governs the structural disorder, is also observed during the cubic transition in IST, revealing a more ordered nature of IST in the crystalline phase. Moreover, a rise in Urbach energy (E U) from 33.4 (amorphous) to 150.2 meV (crystalline) exhibits an increase in disorder at elevated temperatures owing to film defects. These findings are supported by the change in the atomic bonding upon crystallization, which is studied using X-ray Photoelectron Spectroscopy (XPS). Our XPS findings demonstrate that the amorphous phase of IST is composed of In2Te3, InSb, and InTe species with a peak area of ∼52.97%, ∼51.26%, and ∼39.83%, respectively. XPS spectra of annealed samples reveal the phases separation of IST alloy into crystalline InSb (∼60.89%) and InTe (∼64.69%) around 300 °C and then the formation of stable cubic In3SbTe2 (∼47.54%) at 400 °C. These experimental findings of the optical properties with structural changes would help distinguish the IST from the conventional phase change materials. [ABSTRACT FROM AUTHOR]

Innovation is fuel for the sustainability and competitive advantage of an organization. Practitioners have proposed several tools to promote innovation in an organization. The design thinking framework is one approach for problem-solving that can lead to innovations. Some industries have already matured in practicing the design thinking approach, while others are in the nascent stage and still exploring the benefits of creating more innovations. This article puts forwards a systematic literature review followed by a bibliometric analysis on adoption of a design thinking approach for fueling innovation and solving complex problems in different domains. The present study also gives an overview of the penetration of the design thinking approach in various industries and domains. The literature review reveals that design thinking is practiced in almost all industry segments, with more evidence in education and healthcare and an upward trend in user-centered design and complex problem-solving. [ABSTRACT FROM AUTHOR]

The crystal structure of the thiosemicarbazide derivative 4-cyclohexyl-1-(thiophene-2-carbonyl)thiosemicarbazide (ChtcTSC), C12H17N3OS2, is reported here. The title compound ChtcTSC has been characterized by various physicochemical techniques viz UV–Vis., Infrared, and NMR. It crystallizes in the monoclinic system having space group P21/c. The dihedral angle between the thiophene and cyclohexyl rings is 60.7(4)°. The crystal packing is established by intermolecular N–H⋯O packing interactions involving a three-center donor hydrogen bond between the keto oxygen atom of the thiophene group and H atoms belonging to the hydrazine group which links the molecules into chains along the (011) plane of the unit cell. Hydrogen bonds between the hydrazine hydrogen atom and one of the thiophene groups and C–H⋯Cg π -ring interactions provide added stability to the crystal packing. The fingerprint plots associated with Hirshfeld surface analysis indicate that there are different types of weak interactions viz. O⋯H–C, O⋯H–N, and S⋯H–C. The geometry optimization has been performed using the DFT method, and geometrical parameters thus obtained for ChtcTSC correlate with the single-crystal X-ray data. The TD-DFT study showed a small HOMO and LUMO energy gap of 2.869 eV. The electronic transition from the ground state to the excited state due to a transfer of electrons from HOMO to LUMO levels is mainly associated with the n → π* transition. The crystal structure of 4-cyclohexyl-1-(thiophene-2-carbonyl)thiosemicarbazide (ChtcTSC) is reported here where the title compound ChtcTSC has been characterized by various physiochemical techniques including UV–Vis., Infrared, NMR, DFT and Hirshfeld surface analysis. [ABSTRACT FROM AUTHOR]

Three novel Cd(II) metal complexes 1–3 have been synthesized with different derivatives of thiazoline, hydrazide and carbodithioate. These metal complexes are abbreviated as [Cd (tht)2]n, [Cd (Hpph)2]n and [Cd (mpps)2]n along with their respective ligands Htht, H2pph and mpps. The developed metal complexes are characterized using X‐ray diffraction (XRD) data and other spectroscopic techniques (Infrared [IR], nuclear magnetic resonance [NMR], ultraviolet–visible [UV–vis] and fluorescence). The polymeric nature of these cadmium complexes have been ascertained by single XRD data. Several significant interactions were also revealed, which aid in the stabilization of these complexes' supramolecular architecture. Comparing complex 2 with complexes 1 and 3, the absorption spectra of complex 2 exhibits a greater λmax. On comparing the fluorescence study of these complexes, complex 2 has a higher fluorescence than complexes 1 and 3. The cyclic voltammetry (CV) approach was employed to detect the electrochemical behaviour of these complexes, as well as the sensing of uric acid (UA) by these complexes via modified glassy carbon electrodes (GCEs). According to the conclusions received by CV study, the modified electrode containing complex 3 has admirable UA electro catalytic activity. This UA electrochemical sensing device offers a low detection limit (0.3 μM), fine linear ranges (30–1500 μM), reasonable sensitivity, and a fast reaction time. [ABSTRACT FROM AUTHOR]

Public confidence in Police produces valuable outcomes for society. The present paper explores the drivers of public confidence in Police in Kashmir, India. The data were collected from 277 citizens and 318 police personnel in Kashmir. The study examined the role of the image of Police, media, the neutrality of Police, and community policing in influencing public confidence in the Police. Results indicated that police personnel considered the neutrality of Police and the role of media as the most crucial determinants of public confidence. However, citizens' expectations were different. Citizens believed that community policing and the image of the Police were essential to elicit their confidence in the Police. The study is a novel attempt to empirically examine the gap between citizens' expectations and the Police's perception of those expectations in a conflict zone. The findings of this study would enable policymakers to design suitable interventions to secure public confidence in Police in a conflict zone. [ABSTRACT FROM AUTHOR]

Herein, a comprehensive investigation into the optical, local chemical state, and electrical properties of the less explored magnesium oxide (MgO) are presented for resistive switching data storage applications in reference to the well‐documented hafnium oxide (HfO2). The observed local chemical state from X‐ray photoelectron spectroscopy (XPS) analysis yields a nonlattice oxygen peak in O 1s spectra, indicating the resistive switching potential of polycrystalline MgO analogous to the amorphous HfO2 as‐deposited thin films. The optical investigation through UV–visible spectroscopic and photoluminescence examination reveals the high transmissivity of HfO2 (84–98%) and MgO (86–88%) thin films in visible and near‐infrared domains, with a high bandgap of 5.6 and 4.2 eV, respectively, implying the possibility of two distinct stable states essential for resistive switching phenomena. Additionally, the electrical characterization manifests bipolar switching phenomena in HfO2 and MgO metal–oxide–metal stacks with SET transitions at 0.6 and 0.5 V, followed by RESET transitions at −0.6 and −0.5 V, respectively. Both oxides in respective stacks exhibit dominant Ohmic conduction in high‐resistive and low‐resistive regions during positive and negative bias. These observations propose MgO as a preferable resistive switching material for nonvolatile data storage applications, showing similar properties of widely studied HfO2. [ABSTRACT FROM AUTHOR]

The development of a potent metallodrug to prevent the progression of cancer is needed urgently. Here, three new complexes [Mn(pfth)2(o-phen)] (1), [Co(pfth)2(en)] (2) and [Ni(pfth)2(en)] (3) based on a 4-phenyl-(2-furoyl)-thiosemicarbazide (Hpfth) ligand containing 1,10 phenanthroline (o-phen)/ethylenediamine (en) as secondary ligands have been synthesized. The synthesized complexes have been characterized by various analytical, spectroscopic (IR, UV-vis., NMR), and single-crystal X-ray diffraction techniques. The results obtained by quantum chemical calculations (DFT and TD-DFT) agree with the experimentally observed values. The tumoricidal potential of Mn, Co, and Ni salts, ligand Hpfth, and their coordinate complexes was evaluated against K562, MCF-7, and DL cancer cell lines. Both short-term (XTT and MTT assays) and long-term (clonogenic assay) treatment of the tumor cells studied through colorimetric, clonogenic, and fluorescence-based assays by the complexes demonstrated true anti-tumor effects against these cancer cells. The results suggest the significant antitumor potential of the metal–ligand complexes against the tumor cells in a dose-dependent manner with higher growth inhibition, apoptosis, and inhibition in colony formation in comparison to either metal salts or free ligands. Complexes 1 and 3 induce more growth inhibition as compared to complex 2 against all cancer cell lines. Complex 3 demonstrated impressive tumoricidal properties in a clonogenic assay in comparison to complexes 1 and 2. These studies establish the role of metal centers in antiproliferative activities and reveal that Ni(II) exhibits more potent anti-tumoricidal activity. Molecular docking studies of Hpfth and complexes 1–3 were also performed against three target proteins 6NE5: Myeloid Cell Leukemia-1 (Mcl-1), 6E91: Carbonic anhydrase IX (CA IX), and 6H0W: Lysine Demethylase 4D and the results displayed favorable binding interactions. [ABSTRACT FROM AUTHOR]

The electrochemical water splitting by transition metal complexes is emerging very rapidly. The nickel complexes also play a very vital role in various biological activities. Here, three new ligands {H2mbhce = N′-(4-methyl-benzoyl), H2pchce = N′-(pyridine-carbonyl) and H2hbhce = N′-(2-hydroxy-benzoyl) hydrazine carbodithioic acid ethyl ester} and their corresponding Ni(II) complexes [Ni(Hmbhce)2(py)2] (1), [Ni(pchce)(o-phen)2]·CH3OH·H2O (2) and [Ni(hbhce)(o-phen)2]·1.75CHCl3·H2O (3) have been synthesized and fully characterized by various physicochemical and X-ray crystallography techniques. The photoluminescence study and thermal degradations were also examined. The treatment of K562 cells with the increasing concentrations of the nickel salts, ligands, and complexes 1, 2, and 3 showed dose-dependent cytotoxicity. The cytotoxic activity of ligands reveals that ligand H2mbhce is more potent in inhibiting the growth of tumor cells in comparison to other ligands H2pbhce and H2hbhce. Cytotoxicity assay results indicate that all complexes have remarkable cytotoxic potential in comparison to either nickel salts or the free ligands. Among these complexes, complex 1 has significantly better anti-tumor activity as compared to complexes 2 and 3. The electrochemical study of complexes 1, 2, and 3 for water oxidation reveals that all the complexes possess admirable electrocatalytic activity towards oxygen evolution reaction (OER) and have lower overpotential (328, 338, and 370 mV, respectively) than many previously reported complexes and RuO2 (390 mV). Among complexes 1, 2, and 3, complex-2 shows a better water oxidation response. Consequently, these complexes have great potential to be utilized in fuel cells. The more reliable electrochemical parameter TOF is also calculated for all three complexes. [ABSTRACT FROM AUTHOR]

The formation and disruption of conducting filament (CF) are responsible for the SET/RESET switching of resistive random access memory (ReRAM). The ReRAM enters into a low resistive state soon after the complete formation of CF and the process is followed by the radial growth of CF during the ON-state. The present investigation aims to develop a numerical and analytical model to realize the effect of CF radius on local temperature rise and activation power, combining the thermal reaction model (TRM) and power signature model. The numerical investigation is carried out using finite element method to obtain the local temperature rise and temperature distribution across the device. The numerical results show a similar increment pattern of local temperature as of analytical TRM i.e. the local temperature increases linearly with a rapid growth rate of ∼63% in initial CF radii and then gradually attains a steady-state temperature with ∼10% increment in higher CF radii. The relationship between resistance and compliance current is calculated which obeys the same reported trend in other switching oxides like TiOX, CuO, NiO. Additionally, the activation power is determined where the resistance decreases (101.87–0.25 KΩ) due to the CF radial growth, which results in four orders of exponential increment in activation power from ∼0.04 µW to 500 ± 100 µW. The power signature of numerical TRM is validated with that analytical TRM where the device attends a steady-state temperature after a certain CF radius (>25 nm) along with the activation power. [ABSTRACT FROM AUTHOR]

The search for novel phase-change materials with enhanced electrical and thermal properties are utmost importance for the development of reliable next-generation high-speed, non-volatile random access memory (NVRAM). In this paper, we investigate local structural change and crystallization kinetics of ternary InSbTe thin films using temperature-dependent resistivity measurement and in situ X-ray diffraction by synchrotron radiation source. Our experimental results reveal that crystallization of InSbTe begins with the formation of binary phases (InSb and InTe). Furthermore, cubic In 3 SbTe 2 phase is emerged at 300 °C and remains stable up to 410 °C. The calculated values of texture coefficient indicate an increased orientation of In 3 SbTe 2 phase upon increasing the temperature. Also, higher activation energy of 5.2–5.6 eV for crystallization is observed using Kissinger's method. These enhanced electrical, thermal and structural properties of InSbTe thin films would be suitable for high-speed NVRAMs as well as multi-bit data storage applications. Our experimental findings reveal that the ternary alloy InSbTe demonstrates the large resistivity contrast, enhanced structural properties and better thermal stability. Temperature dependent resistivity measurement demonstrates a small change in resistivity at 300 °C and further large change is identified at 410 °C. This can be correlated with in situ X-ray diffraction analysis by synchrotron radiation source where stable rocksalt cubic phase In 3 SbTe 2 emerges at 300 °C and the peak intensities of In 3 SbTe 2 phase increase significantly at 425 °C. These extraordinary properties make InSbTe a prominent candidate for high speed non-volatile random access memory and multi-bit data storage applications. Image, graphical abstract [ABSTRACT FROM AUTHOR]

• Nine isoniazid hydrazones have been synthesized and fully characterized. • Crystal structure and Hirshfeld surface analysis of three derivatives namely INH4, INH8, and INH9. • DFT and TD-DFT were performed for analysis of geometry, vibrational and absorption spectra. • Molecular docking studies reveal a strong binding affinity with MDM2 (4HG7) protein. • In-vitro anticancer activity through MTT, AO/EtBr staining, ROS estimation, and mitochondrial membrane potential to investigate the mode of action. Isoniazid hydrazones are promising possibilities as medicines since they have preserved efficacy and are less toxic and resistant to resistance than parent Isoniazid (INH). Here, we have synthesized a series of Schiff bases (INH1–9) derived from a clinically approved antitubercular drug Isoniazid (INH). These synthesized ligands have been characterized by various spectroscopic techniques like IR, UV–vis., NMR, HRMS, etc. Moreover, single crystal of three derivatives viz. INH4, INH8, and INH9 has been determined and they crystallize in monoclinic crystal system. Hirshfeld surface analysis has been performed to ascertain intermolecular interactions present in these compounds. The molecular geometry optimization and vibrational analysis of these compounds were performed using density functional theory (DFT) studies utilizing B3LYP/6–31++ G (d, p) basis set. The TD-DFT analysis was also performed to understand electronic transitions and the nature of FMO in these compounds. There was a good correlation found between theoretical and experimental values, thereby confirming the molecular structures of synthesized compounds. Molecular docking studies were performed to obtain more insights on potential anticancer activities of these compounds along with standard anticancer drugs 5-fluorouracil and Tamoxifen against MDM2 (4HG7) protein. The outcome revealed a significant binding affinity of these compounds with target protein even better than 5-fluorouracil and comparable to Tamoxifen. The compounds (INH4 and INH9) having the strongest binding affinity with the target protein are further experimentally evaluated for their in-vitro cytotoxic action on Dalton's lymphoma cells employing MTT assay, fluorescence microscopy, and flow cytometry. IC 50 value (150 µg/ml) of this compound is equated with before-reported complexes/molecules/extracts and found it has better or comparable cytotoxicity. [Display omitted] [ABSTRACT FROM AUTHOR]

The present study attempts to compare and contrast the organic food choice-making process among high and low-income customers based on food quality, service quality and price fairness. Data were collected through structured questionnaires and analyzed using structural equation modeling. The results indicate apparent differences in decision-making strategies of high and low-income customers. Price fairness played an essential role in reducing risk and enhancing trust among low-income customers. Therefore, perceived risk reduction strategies are more suited for low-income consumers. For high-income consumers, trust was crucial. Also, product and service quality was equally vital for both segments. Managers selling organic food to high-income customers should focus on the retailing mix elements to build trust in the retailer. However, for low-income customers, managers should justify the price premium as fair. Also, managers may try to reduce financial risk by mechanisms such as money-back guarantees or liberal return policies for low-income customers. [ABSTRACT FROM AUTHOR]

• Crystal structure of N-phenyl-5-(pyridin-3-yl)−1,3,4-oxadiazol-2-amine (Pypao). • Mn(II) catalyzed cyclization of hydrazine carbothioamide to oxadiazole. • Hirshfeld surface analysis, DFT and TD-DFT analysis of Pypao. • Molecular docking of Pypao with oncoproteins of HPV. • Anticancer activity of Pypao against cervical cancer (SiHa) cells. The global burden of cervical cancer is continuously increasing day by day affecting the world population. Wide arrays of agents are prevalent for the treatment of this chronic disease but the survival rates are still limited. The titled compound N-phenyl-5-(pyridin-3-yl)-1,3,4-oxadiazol-2-amine (Pypao) was prepared through the cyclization of nicotinoyl-N-phenyl hydrazine carbothioamide catalyzed by manganese (II) acetate. Uv-Vis, IR, NMR, elemental analyses, and single-crystal X-ray data were utilized for the description of the compound Pypao. The crystal structure of Pypao is stabilized via intermolecular hydrogen bonding interactions, which is further confirmed with Hirshfeld surface analysis. The DFT methods were also used to optimize the Pypao and obtained bond parameters have been found coherent with the experimental data. FMO and TD-DFT studies are also performed to gain insights into the electronic behavior of Pypao. Furthermore, the binding potential of Pypao to different oncoproteins of HPV namely E6, E6AP, and E7 have been examined through a molecular docking study. The in-vitro anticancer activity of Pypao has been investigated against SiHa cells. The anticancer potential of Pypao has been evaluated through various assays including MTT, DAPI stating, AO/PI staining, etc. Both time and dose-dependent activity of Pypao have been investigated. [Display omitted] [ABSTRACT FROM AUTHOR]

Prefixing a weak electric field (incubation) might enhance the crystallization speed via pre-structural ordering and thereby achieving faster programming of phase change memory (PCM) devices. We employed a weak electric field, equivalent to a constant small voltage (that is incubation voltage, Vi of 0.3 V) to the applied voltage pulse, VA (main pulse) for a systematic understanding of voltage-dependent rapid threshold switching characteristics and crystallization (set) process of In3SbTe2 (IST) PCM devices. Our experimental results on incubation-assisted switching elucidate strikingly one order faster threshold switching, with an extremely small delay time, td of 300 ps, as compared with no incubation voltage (Vi = 0 V) for the same Vi. Also, the voltage dependent characteristics of incubation-assisted switching dynamics confirm that the initiation of threshold switching occurs at a lower voltage of 0.82 times of VA. Furthermore, we demonstrate an incubation assisted ultrafast set process of IST device for a low VA of 1.7 V (~18 % lesser compared to without incubation) within a short pulse-width of 1.5 ns (full width half maximum, FWHM). These findings of ultrafast switching, yet low power set process would immensely be helpful towards designing high speed PCM devices with low power operation. [ABSTRACT FROM AUTHOR]

• Synthesis and Characterization of Thiophene-2-carbohydride based metal complexes. • Crystal structures of Mn(II), Co(II), and Ni(II) complexes. • Metal complexes show significant OER activity at lower onset potentials. • Complexes 2 and 3 have tafel slope of 45.7 and 41.5 mV/decade. • Comparative study with previous and benchmark electrocatalysts. Electrocatalytic water oxidation by molecular electrocatalyst has emerged very rapidly. Here, metal complexes of Mn(II), Co(II), and Ni(II) containing Thiophene-2-carbohydrazide were synthesized and characterized by spectroscopic and single crystal X-ray techniques. The complexes 1, 2 , and 3 crystallize in monoclinic, orthorhombic, and monoclinic systems with space groups P2 1 /c, Pca2 1 , and P2 1 /c, respectively. The crystal structure of complexes is stabilized via various intermolecular hydrogen bonding including N-H···Cl, O-H···Cl, O-H···O, N-H···O, C-H···S etc. providing supramolecular architectures. The prepared metal complexes [Mn(tphch) 3 ]2+ (1), [Co(tphch) 3 ]2+ (2), and [Ni(tphch) 3 ]2+ (3) were coated on glassy carbon electrodes (GCE). Nafion (Nf) solutions were used during the immobilization process to provide an electroactive surface on GCE (GCE/Nf). Electrochemical characterizations of modified electrodes were achieved from the results of cyclic voltammetry and linear sweep voltammetry techniques. GCE modified GCE/Nf/Complex- 1 , GCE/Nf/Complex- 2, and GCE/Nf/Complex- 3 show efficient electrocatalytic activity for oxygen evolution reaction (OER). Tafel slope of GCE/Nf/Complex- 2 and GCE/Nf/Complex-3 was found lower than commercial benchmark electrocatalyst RuO 2 and IrO 2. [Display omitted] [ABSTRACT FROM AUTHOR]

• Synthesis of 2-(4-methoxyphenyl)−5-(2-pyridyl)−1,3,4-thiadiazole (Mppth). • Crystal structure of Mppth is stabilized by H-bonding and π−π stacking interaction. • Zn(II) catalyzed cyclization of thiohydrazide to thiadiazole. • DFT and Hirshfeld surface analysis of Mppth is performed. • Molecular docking of Mppth with CYP-19, JAK2, BCL-2 & caspase3 receptors. A new compound 2-(4-methoxyphenyl)-5-(2-pyridyl)-1,3,4-thiadiazole (Mppth) has been synthesized and characterized with the aid of IR, NMR, and single-crystal X-ray diffraction techniques. During the reaction, the substituted thiohydrazide got cyclized into the corresponding thiadiazole (Mppth) in the presence of zinc(II) nitrate via loss of H 2 O. The Mppth crystallizes in an orthorhombic system with space group P 21 21 21. The solid-state structure of Mppth is stabilized via intermolecular hydrogen bonding and π-π interaction between phenyl rings. The intermolecular interactions present in the crystal structure of Mppth are also confirmed with Hirshfeld surface analysis. The geometry optimization has been performed using the DFT method and geometrical parameters thus obtained for the Mppth correlate with the single-crystal X-ray data. The FMO analysis shows a small HOMO and LUMO energy gap of 5.48 eV for Mppth suggesting its potential application as NLO material. The electronic transition from the ground state to the excited state due to a transfer of electrons from the HOMO to LUMO levels is mainly associated with the π→π* transition. Molecular docking studies are also performed against CYP-19 (PDB: 3EQM), JAK2 (PDB: 5AEP), BCL-2 (PDB: 2O2F), and caspase3 (PDB: 1RE1) receptor proteins to obtain insights on anticancer activities of Mppth. The results displayed strong interactions with the receptors with binding energies -10.27, -7.40, -6.28, and -7.27 kcal/mol, respectively. From the docking results, the key binding interactions between the ligand and active site residues of the receptor were identified, which may provide important information for further research on the compound Mppth as anticancer agent. [Display omitted] [ABSTRACT FROM AUTHOR]

Phase-change materials (PCM) show remarkable property-contrast from amorphous to crystalline phase that forms the basis for high-speed non-volatile memory device applications. Despite understanding the local structure and physical properties of these phases, a systematic study on the phase-change behavior is essential. Here, we used in situ UV-Vis-NIR spectroscopic measurements to study a systematic evolution of optical band gap ( Eg) and the local disorder described by Tauc parameter ( B), for the temperatures from 90 to 480 K on amorphous and cubic phases of Ge1Sb4Te7 thin films. It has been found that the Eg of amorphous phase decreases with increasing temperature from 90 to 400 K, while the disorder as exemplified by B, increases owing to thermal vibrations. At 420 K, a rapid decrease in the Eg from 0.47 to 0.33 eV and also a sharp reduction of ∼13% in the value of B1/2 is observed evidencing the signature of amorphous-to-cubic phase transition. Furthermore, the hexagonal phase is more disordered compared to cubic phase. The Raman results are consistent with optical measurements, which indicate that the degree of disorder reduces from amorphous to cubic phase, while hexagonal phase with an increased disorder is attributed to elongated bonds. [ABSTRACT FROM AUTHOR]

Purpose: This study aims to examine the role of leader-member exchange social comparison (LMXSC) perceptions in triggering the instigation of uncivil behavior in the workplace. This study also explores the intervening role of envy and the buffering role of aggression-preventive supervisor behavior within the proposed relationship. Design/methodology/approach: Data were collected in two phases separated by an interval of four weeks. The final sample consisted of 224 full-time white-collar employees working in five large pharmaceutical manufacturing organizations in India. Findings: The findings indicate that employees' subjective perceptions of being involved in poorer-quality LMX relationships than their workgroup members generate envy, which, in turn, evokes them to instigate uncivil behaviors onto those higher-LMX counterparts. The indirect effect of LMX social comparison on instigated workplace incivility through envy gets attenuated when supervisors engage in aggression-preventive behavior. Practical implications: To protect organizations from the financial and productivity losses associated with incivility, supervisors are encouraged to exhibit aggression-preventive behavior if they form differentiated exchange relationships with the subordinates in their teams. Supervisors are further advised to avoid the altogether neglect of lower-LMX subordinates as doing so may give rise to negative emotions (envy) and behavior (incivility) among them. Originality/value: This study expands the limited body of knowledge on the antecedents of uncivil employee behavior in the workplace. Specifically, it unveils that incivility toward coworkers may be stemming from unfavorable LMX social comparisons and ensuing negative emotions such as envy. It also offers insights on reducing uncivil behavior by highlighting that the impact of LMXSC and envy on incivility instigation gets buffered in the presence of aggression-preventive supervisor behavior. [ABSTRACT FROM AUTHOR]

The van der Pauw (VDP) method is widely used to identify the resistance of planar homogeneous samples with four contacts placed on its periphery. We have developed a fully automated thin film resistance measurement setup using the VDP method with the capability of precisely measuring a wide range of thin film resistances from few mΩ up to 10 GΩ under controlled temperatures from room-temperature up to 600 °C. The setup utilizes a robust, custom-designed switching network board (SNB) for measuring current-voltage characteristics automatically at four different source-measure configurations based on the VDP method. Moreover, SNB is connected with low noise shielded coaxial cables that reduce the effect of leakage current as well as the capacitance in the circuit thereby enhancing the accuracy of measurement. In order to enable precise and accurate resistance measurement of the sample, wide range of sourcing currents/voltages are pre-determined with the capability of auto-tuning for ∼12 orders of variation in the resistances. Furthermore, the setup has been calibrated with standard samples and also employed to investigate temperature dependent resistance (few Ω–10 GΩ) measurements for various chalcogenide based phase change thin films (Ge2Sb2Te5, Ag5In5Sb60Te30, and In3SbTe2). This setup would be highly helpful for measurement of temperature-dependent resistance of wide range of materials, i.e., metals, semiconductors, and insulators illuminating information about structural change upon temperature as reflected by change in resistances, which are useful for numerous applications. [ABSTRACT FROM AUTHOR]

In pursuit of a more effective electro‐sensor for environmentally hazardous nitro phenols detection at the trace level, we have developed two novel complexes [Ag(μ‐S‐thzt)(Hthzt)(PPh3)]2·2CH3CH2OH (1) and [Hg (thzt)2(o‐phen)](2) based on 2‐thiazoline‐2‐thiol (Hthzt). In complexes 1 and 2, triphenylphosphine and o‐phen were used as co‐ligands, respectively. Both the synthesizedcomplexes have been characterized by single crystal X‐ray diffraction data,UV–vis., infrared, and NMR spectrometry. Geometry around both the metal ion complexes is distorted tetrahedral. Noticeably, in complex 1, the Hthzt acts as a bridging as well as terminal ligand. The intermolecular interaction found in complexes 1 and 2 have been further investigated through Hirshfeld surface analysis. On comparing fluorescence intensities of Hthzt, complex 1, and complex 2, the order of fluorescence behavior was found to be Hthzt > complex 1 > complex 2. The electrochemical performance of both complexes 1 and 2 and their ability to sense 4‐nitrophenol (NP) have been evaluated through modified glassy carbon electrodes and were detected by the differential pulse voltammetry (DPV) and cyclic voltammetry (CV) methods. Based on electrochemical responses, complex 1 shows more effective performance as anelectro‐sensor than complex 2. With a relatively low detection limit of 0.19 μM, great selectivity, and acceptable sensitivity, the complex 1/GCE sensor demonstrated an exceptional linear plot between the oxidation peak current and NP concentration in the ranges of 0.5–500 μM. [ABSTRACT FROM AUTHOR]

· A new compound 5(4-hydroxyphenyl)-2-(N-phenylamino)-1,3,4-oxadiazole (Hppo) is reported. • Mn(II) catalyzed cyclization of thiosemicarbazide to oxadiazole. • DFT, Single crystal structure and Hirshfeld surface analysis of Hppo. • In vitro cytotoxicity of Hppo against Dalton's lymphoma cells using MTT assay. • Molecular docking of Hppo with CYP-19, JAK2, BCL-2 & caspase3 receptors. [Display omitted] The syntheses and screening of novel synthetic molecules have gained attention as a potential therapeutic agent in the treatment of cancer. In the present study, a new compound 5(4-hydroxyphenyl)-2-(N-phenylamino)-1,3,4-oxadiazole (Hppo) has been synthesized and its anticancer activity is investigated against Dalton's lymphoma (DL) tumor cells derived from murine T-cell lymphoma. The Hppo has been characterized through IR, NMR, and single-crystal X-ray data. The structure of Hppo is stabilized via hydrogen bonding interactions and crystallizes in an orthorhombic system with space group P b c n. The fingerprint plots associated with Hirshfeld surface analysis indicate that there are different types of weak interactions viz. C-H···N, O-H···N and C-H···O. The DFT calculations are also performed to verify physiochemical properties of Hppo and the results obtained are in good agreement with the experimental results. The HOMO and LUMO energy gap of 7.344 eV for Hppo indicates good NLO properties. The cytotoxicity activity of Hppo is tested against Dalton's lymphoma cells using MTT assay which reveals that the compound showed admirable anticancer activity (IC 50 = 50 µg/mL), which is better than many previously reported compounds. The mechanism of action of Hppo is investigated by performing different biological studies and the results obtained reveal that Hppo acts through down-regulating mitochondrial membrane potential and up-regulating reactive oxygen species production. Molecular docking studies are also performed to obtain more insights on biological activities of Hppo and its mode of action against CYP-19 (PDB: 3EQM), JAK2 (PDB: 5AEP), BCL-2 (PDB: 2O2F), and caspase3 (PDB: 1RE1), and result displayed favorable binding interactions with binding energy -7.43, -7.96, -6.61, and -6.88 Kcal/mol. [ABSTRACT FROM AUTHOR]

Electrocatalytic water oxidation by transition metal complexes is an emerging area of research. Here, two cobalt(III) complexes [Co(ftsm)NH3(o‐phen)]·H2O (1) {ftsm = bis(5‐furan‐1,2,4‐triazole)‐3‐sulfinamide} and [Co(ptsm)NH3(o‐phen)]·CH3OH (2) {ptsm = bis(5‐phenyl‐1,2,4‐triazole)‐3‐sulfinamide} were synthesized and characterized by various spectroscopic and X‐ray crystallography techniques. Complexes 1 and 2 were found to have admirable electrocatalytic activity towards oxygen evolution reaction (OER). The Tafel slope values for GC/Nf‐Complex‐2 and GC/RuO2 were 53 and 60 mV/dec, respectively. Consequently, complex 2 possesses a better water oxidation response than standard material RuO2. The ligands Haftt, Haptt, o‐phen, and complexes 1 and 2 were also tested for their cytotoxicity against Dalton's lymphoma (DL) cells employing MTT assay and found to have significant cytotoxicity. The IC50 values of Haftt, Haptt, mixed ligands Haftt + o‐phen and Haptt + o‐phen, and complexes 1 and 2 against DL cells were found to be 150, 400, 200, 450, 80, and 5 μM, respectively. The complexes were found to have minimal effect on normal cells. The remarkable IC50 value for complex 2 shows that it can be utilized as a potential anticancer agent against DL cells. [ABSTRACT FROM AUTHOR]

• N-(4-fluorobenzyl) N-(naphthalen-1-ylmethyl) dithiocarbamate ligand (fbnm). • Three new Ni(II), Cu(II), and Zn(II) dithiocarbamate complexes of fbnm. • Distorted square planar geometry of [Cu(fbnm) 2 ]. • Distorted tetrahedral geometry around zinc centers in complex [Zn(fbnm) 2 ]. • Significant anticonvulsant activity of [Cu(fbnm) 2 ]. A potassium N-(4-fluorobenzyl) N-(naphthalen-1-ylmethyl) dithiocarbamate ligand (fbnm) has been isolated in a basic medium and its Ni(II), Cu(II), and Zn(II) complexes 1 – 3 were synthesized. All new compounds have been characterized by elemental analyses, magnetic susceptibility, IR, NMR, and UV–Vis techniques. Complexes 2 and 3 have been further characterized by single-crystal X-ray diffraction data. Zn(II) complex adopts tetrahedral geometry whereas Ni(II) and Cu(II) complexes adopt square planar geometry around the metal ions. In addition, the bite angles found around the metal chelate rings in complexes 2 and 3 suggest that these geometries are slightly distorted from regular geometry. Complexes 2 and 3 are stabilized by intermolecular C H···S, C H···π and CH···F interactions. The thermal degradations of metal complexes 1 – 3 have been examined by TG-DTA data which designates that metal sulfide is formed as the final entity. The anticonvulsant activity of ligand fbnm and its Ni(II), Cu(II), and Zn(II) complexes have been tested through MES test and PTZ induced convulsion test and found that complex 2 may be used as an anticonvulsant compound in the future by further biochemical or neurotransmitter estimations to control the onset of generalized tonic-clonic seizures. The antianxiety activity has also been performed via Elevated plus maze and Open field test and observed that all synthesized compounds are non-significant for anti-anxiety effect. [Display omitted] [ABSTRACT FROM AUTHOR]

• N-(4-fluorobenzyl) N-(naphthalen-1-ylmethyl) dithiocarbamate ligand (fbnm). • Three new Ni(II), Cu(II), and Zn(II) dithiocarbamate complexes of fbnm. • Distorted square planar geometry of [Cu(fbnm) 2 ]. • Distorted tetrahedral geometry around zinc centers in complex [Zn(fbnm) 2 ]. • Significant anticonvulsant activity of [Cu(fbnm) 2 ]. A potassium N-(4-fluorobenzyl) N-(naphthalen-1-ylmethyl) dithiocarbamate ligand (fbnm) has been isolated in a basic medium and its Ni(II), Cu(II), and Zn(II) complexes 1 – 3 were synthesized. All new compounds have been characterized by elemental analyses, magnetic susceptibility, IR, NMR, and UV–Vis techniques. Complexes 2 and 3 have been further characterized by single-crystal X-ray diffraction data. Zn(II) complex adopts tetrahedral geometry whereas Ni(II) and Cu(II) complexes adopt square planar geometry around the metal ions. In addition, the bite angles found around the metal chelate rings in complexes 2 and 3 suggest that these geometries are slightly distorted from regular geometry. Complexes 2 and 3 are stabilized by intermolecular C H···S, C H···π and CH···F interactions. The thermal degradations of metal complexes 1 – 3 have been examined by TG-DTA data which designates that metal sulfide is formed as the final entity. The anticonvulsant activity of ligand fbnm and its Ni(II), Cu(II), and Zn(II) complexes have been tested through MES test and PTZ induced convulsion test and found that complex 2 may be used as an anticonvulsant compound in the future by further biochemical or neurotransmitter estimations to control the onset of generalized tonic-clonic seizures. The antianxiety activity has also been performed via Elevated plus maze and Open field test and observed that all synthesized compounds are non-significant for anti-anxiety effect. [Display omitted] [ABSTRACT FROM AUTHOR]

The extant research has widely investigated the various institutional antecedents of corporate social responsibility (CSR). However, the role of peer groups on the firm's CSR has received relatively less attention. To this end, the present study examines the CSR of the firms due to the mimetic isomorphism mechanism arising among 'industry peers' (i.e., peer firms which operate in the same industry) and 'community peers' (i.e., peer firms with their headquarters located in the same geographical area). The study examines CSR along two dimensions: CSR engagement level and CSR spending. The study examines the fixed effects regression on a balanced panel data, collected from the annual reports and CMIE Prowess database of 321 listed firms from 2015 to 2018 in India. The results indicate that both the industry and the community peers positively influence the CSR engagement level and CSR spending of the firms. However, community peers' effect is stronger than the industry peers' on both dimensions. The divergence from peer groups' mean CSR spending negatively moderates the peer group and CSR relationships. The results further indicate that institutional investors reduce the mimetic isomorphic (shouldn't it be isomorphic mimetic) pressure on the firm. The study contributes by proposing a measurement index of CSR engagement level. Managers can develop appropriate business policies for a firm's CSR activities based on 'industry' and 'community' peer firms. • A firm's CSR engagement level and CSR spending are positively affected by 'industry peers' and 'community peers'.. • The effect of community peers on CSR is stronger than industry peers. • The divergence from the mean CSR spending of the peer groups negatively moderates the influence of peers on CSR. • The institutional investors reduce the mimetic pressure on a firm's CSR. • A measurement index for the CSR engagement level is proposed. [ABSTRACT FROM AUTHOR]