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This study involves the investigation of the double perovskite A2NbTbO6 (A = Ca, Sr, and Ba) using the PBE-GGA approximation under the quantum-based DFT (density functional theory) within the WIEN2k code. The materials A2NbTbO6 (A = Ca, Sr, and Ba) are cubic crystals with space group Fm3m-225 and non-magnetic behavior. The structural, electrical, optical, and thermoelectric characteristics of the given materials have been investigated. Band gap and density of state calculations are used to explain the electronic properties of the materials under study with the PBE-GGA approximation. The results made it abundantly evident that the materials are pure semiconductors with direct band gaps. Complex dielectric function, refractive index ƞ(ω), extinction coefficient K(ω), optical conductivity σ(ω), absorption coefficient α(ω), reflectivity R(ω), and loss parameter L(ω) are analyzed to explain the optical behavior of the materials. Charge carrier concentration (n), electrical conductivity (σ/t), Seebeck coefficient (S), power factor (PF), thermal conductivity (K/t), specific heat capacity (Cv), and magnetic susceptibility (χ) are investigated to find the material's thermal properties which show the ability of materials in green energy (eco-friendly) production devices and good candidates for optoelectronics especially for solar cell. The BoltzTraP code, which is part of the WIEN2k code, is used to calculate these properties. The cubic compounds Ca2NbTbO6, Sr2NbTbO6, and Ba2NbTbO6 have band gaps of 1.93 eV, 1.89 eV, and 1.87 eV, respectively and are direct band gap materials are confirmed from the band gap structures. By these calculations, all the characteristics are examined to produce new materials for sustainable devices and renewable energy applications like solar cells, and optoelectronics. [ABSTRACT FROM AUTHOR]

Benzocaine is known for its antibacterial, anticancer, antitumor, and antifungal properties. Herein, a series of three new Schiff bases is synthesized by reacting benzocaine with salicylaldehyde (E4AS), 2,3-dihydroxybenzaldehyde (E4ADH), and 5-chlorosalicylaldehyde (E4ACl). These benzocaine-based Schiff bases were characterized by a variety of spectroscopic methods, including FTIR, NMR, (1H and 13C), and elemental analysis (CHN). Additionally, the single crystal X-ray diffraction method was used to reveal the molecular structures of the derivatives. Solid-state X-ray crystal structures of E4AS and E4ACl adopted enol tautomeric form, whereas keto-tautomeric form was found in E4ADH. The supramolecular assembly of the compounds was probed by Hirshfeld surface analysis. The void analysis was executed to predict the mechanical response of the compounds. Additionally, UV–Vis spectroscopy and molecular docking practices were used to look into the DNA binding abilities of the benzocaine-based Schiff bases. The geometries of the molecules were fully optimized and studied for their electronic structural properties of respective compounds. The frontier molecular orbitals and molecular electrostatic potentials were studied to predict the properties of molecules. The study provides molecular-level intuitions into the synthesis and prospective uses of these Schiff bases in the arena of general and medicinal chemistry. [ABSTRACT FROM AUTHOR]

The evolution of micromachining technology has ushered in a new era of applications for microchannel heatsinks, particularly in the domain of electronics cooling. This research endeavours to conduct a comprehensive analysis to assess the impact of circular ribs in conjunction with a fan-shaped cavity on the operational efficiency of rectangular microchannel heatsinks. Specifically, seven distinct structural configurations have been meticulously examined, each featuring ribs strategically positioned at various locations: ribs positioned at the front and back (RFB), ribs at the left and right (RLR), ribs at the back and left (RBL), ribs at the front, left, and right (RFLR), ribs at the back, left, and right (RBLR), ribs at the front, back, and left (RFBL), and ribs at the front, back, left, and right (RFBLR), for a range of Reynolds numbers spanning from 100 to 500. The findings are then compared with those obtained from a microchannel with a fan-shaped cavity only (MHFC) and a plain rectangular microchannel heatsink. The optimal diameter for the embedded ribs was determined by comparing the thermal performance of microchannel heatsinks with ribs of varying diameters: 35 µm, 50 µm, 65 µm, and 80 µm. Results indicate that the 50 µm rib diameter achieves the highest thermal performance. A key finding is that ribs act as flow disruptors, causing the flow to split into two streams towards the cavity's arcuate region and thinning the boundary layer. RFBLR showed the highest heat transfer, followed by RFLR, while RFB and RLR had the lowest heat transfer among microchannels with cavities and ribs. RFBLR also had the highest pressure drop, highlighting a trade-off between heat transfer enhancement and pressure drop. Optimizing rib placement is crucial for maximizing heat transfer efficiency at lower pressure drops. Initially, RBLR had the highest performance factor at lower Reynolds numbers, later overtaken by RLR. [ABSTRACT FROM AUTHOR]

Non-communicable diseases have increased globally, forcing consumers to consider their diets. One of the greatest diets to minimize NCDs is dairy products, but researchers have paid little attention to consumer buying intentions, especially in underdeveloped countries like Pakistan. As a result, researchers in Pakistan looked into how distinct utilitarian and hedonic attributes of dairy products influenced customer intentions. A cognitive-affective attitude approach based on the SOR model was used to construct a comprehensive conceptual model to better comprehend customers' intentions about dairy products. Students at the university were given a self-administered questionnaire. In order to evaluate the hypotheses, a sample of 411 customers was analyzed using PLS-SEM. Results revealed that utilitarian and hedonic attributes positively influence consumers' cognitive and affective attitudes, which ultimately leads to consumer purchasing intention to buy dairy products in Pakistan. This research depicts some unique insights for dairy product producers, marketers, and researchers. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

The current study involves the synthesis of two azomethine compounds, (E)‐2‐((6‐nitrobenzo[d][1,3]dioxol‐5‐yl)methylene)amino)phenol (2AP6NO) and (E)‐2‐((4‐ethylbenzylidene)amino)phenol (2AP4ETH), as well as their theoretical investigations. The synthesized azomethine compounds were then characterized by combustion analysis (CHN), FT‐IR, NMR (1H and 13C), and single crystal X‐ray diffraction (SC‐XRD) analysis. The SC‐XRD study confirmed the enol tautomeric form of 2AP6NO as well as 2AP4ETH. The strong and comparatively weak intermolecular interactions were elaborated by Hirshfeld surface analysis. For both compounds, intermolecular interaction energies between the pair of molecules, energy framework, and void analysis were calculated to visualize the three‐dimensional topology of the crystal packing. Additionally, quantum chemical computations were also utilized to study the optical and nonlinear optical (NLO) response. The molecular geometries were optimized at the M06‐2X/6‐311G* method and equated to their respective experimental counterparts. The third‐order NLO polarizabilities were also calculated at the same level of theory. The calculated average third‐order NLO polarizabilities were 62.55×10−36 esu and 55.08×10−36 esu, respectively, predicting the modest behavior of the above compounds when displaying NLO properties. [ABSTRACT FROM AUTHOR]

Objectives: This study aimed to evaluate the acceptance of the coronavirus vaccine and the attitude of people residing in the southern part of Karachi, Pakistan. Methods: This web-based cross-sectional research was conducted among the citizens of the southern part of Karachi from Oct to Dec 2021. The survey for the study was adopted and modified from the formerly conducted study by El-Elimat et al, comprising individuals aged more than 18 years of age. Acceptance and predictors of vaccine acceptance were assessed using the Chi-square test and Binary logistic regression. Results: The acceptance rate for the coronavirus vaccine was quite high (87%). Males demonstrated a higher acceptance rate. The older aged individuals (>35 years old) also showed higher acceptance when likened to younger participants (OR = 1.84, 95 CI% = 2.893-1.171, p < .008). Individuals not infected with COVID-19 showed less acceptance towards vaccinations (OR = 0.431, 95 CI% = 0.233- 0.799, p < .008). Similarly, respondents believing the COVID-19 vaccine to be a conspiracy were less likely to show acceptance towards the vaccination process (OR= 0.893, 95 CI% = 0.575- 1.387, p= 0. 614). Conclusion: Differences in the acceptance rate between males of older age as compared to younger population and females have demonstrated higher acceptance towards vaccination. Sinopharm followed by Sinovac was the most frequently used to provide immunization to the Pakistani population. [ABSTRACT FROM AUTHOR]

Schiff base 4-(((3-(trifluoromethyl)phenyl)imino)methyl)phenol (TPP) was successfully synthesized and characterized by FT-IR, NMR and SC-XRD. Crystal analysis pointed up the presence of two crystallographically independent molecules in an asymmetric unit that are linked with each other through O–H···N and comparatively weak C–H···O bonding to form an infinite one-dimensional chain of ...ABAB...sequence. In addition to H-bonding, crystal packing is further stabilized by weak C–F···Cg and π–π stacking interactions. Hirshfeld surface analysis revealed that the most significant contribution to packing is from H–F/F–H interatomic contact with percentage contributions of 27.8% and 27.4% for molecules A and B, respectively. Quantum mechanical approach was used for comparison analysis between experimental and calculated parameters. Photometric behavior of TPP was studied in a wide pH range. Furthermore, redox mechanism was also suggested for TPP based on detailed electrochemical characterization. This effort just provides preliminary data to explore some structural and computational aspects of TPP. [ABSTRACT FROM AUTHOR]

In recent years, flying ad hoc networks have attracted the attention of many researchers in industry and universities due to easy deployment, proper operational costs, and diverse applications. Designing an efficient routing protocol is challenging due to unique characteristics of these networks such as very fast motion of nodes, frequent changes of topology, and low density. Routing protocols determine how to provide communications between drones in a wireless ad hoc network. Today, reinforcement learning (RL) provides powerful solutions to solve the existing problems in the routing protocols, and designs autonomous, adaptive, and self-learning routing protocols. The main purpose of these routing protocols is to ensure a stable routing solution with low delay and minimum energy consumption. In this paper, the reinforcement learning-based routing methods in FANET are surveyed and studied. Initially, reinforcement learning, the Markov decision process (MDP), and reinforcement learning algorithms are briefly described. Then, flying ad hoc networks, various types of drones, and their applications, are introduced. Furthermore, the routing process and its challenges are briefly explained in FANET. Then, a classification of reinforcement learning-based routing protocols is suggested for the flying ad hoc networks. This classification categorizes routing protocols based on the learning algorithm, the routing algorithm, and the data dissemination process. Finally, we present the existing opportunities and challenges in this field to provide a detailed and accurate view for researchers to be aware of the future research directions in order to improve the existing reinforcement learning-based routing algorithms. [ABSTRACT FROM AUTHOR]

The flowering plant Indigofera heterantha generally known as Indigo of Himalayan, was extracted with n-hexane, ethyl acetate, and methanol by using Soxhlet apparatus. The extracts were studied for their antioxidants and enzyme inhibition activities. Against DPPH free radical-scavenging activity methanol extract was found moderately active (IC 50 : 158.41 ± 1.1.66 µg/mL). The ethyl acetate and n-hexane extracts exhibited the best ABTS radical scavenging activity (IC 50 : 31.32 ± 2.50 and 52.0 ± 0.89 µg/mL respectively). Against the metal chelating activity, n-hexane extract was active IC 50 : 52.36 ± 0.95 µg/mL. The n-hexane and ethyl acetate extracts demonstrated the best β –carotene antioxidant activity (IC 50 : 22.32 ± 0.84 and 60.66 ± 0.35 μg/mL respectively). Against acetylcholinesterase (AChE), ethyl acetate and methanol extracts were moderate active (IC 50 : 133.58 ± 0.870, and 137.97 ± 0.97 µg/mL respectively). The ethyl acetate extract showed Butyrylcholinesterase (BChE) inhibitory activity with IC 50 value of 121.9 ± 1.13 µg/mL. Against tyrosinase activity, ethyl acetate and n-hexane extracts activity with an IC 50 value of 79.25 ± 0.15 and 131.48 ± 0.88 µg/mL respectively. The phenolic contents of the methanolic extract of I. heterantha were also determined by using LC-MS/MS. The major constituents were Quinic acid (57,333.04 μg/g), malic acid (1135.16 μg/g), gallic acid (201.13 μg/g), isoquercitrin (113.63 μg/g), Rutin (92.97 μg/g), and Salicylic acid (40.45 μg/g). Keeping in view the overall biological activities of I. heterantha, it might be used in food industries and pharmaceuticals as a potential functional food ingredient. [ABSTRACT FROM AUTHOR]

• Synthesis of hydrazone-based schiff base • Structural confirmation through various spectroscopic techniques • Exploration of electronic properties and optical nonlinearity via TDF • Study of electronic properties at M06/6–311G (d,p) functional A new thiosemicarbazide-based Schiff base (TSDHB) was synthesized from thiosemicarbazide and 2,3-dihydroxybenzaldehyde. The prepared thiosemicarbazone was characterized by elemental (CHN), FT-IR, 1H and 13C NMR techniques. Furthermore, the molecular structure was probed using the single-crystal X-ray diffraction (SC-XRD) technique, which confirmed the enol tautomeric form with two independent molecules in asymmetric unit. The dissimilarity between the molecular units was determined by molecular overlay plots. The various intermolecular interactions and solid-state assembly stabilization were explored by Hirshfeld surface analysis. Void analysis was executed to examine the mechanical stability of crystalline units. The bioactivity of thiosemicarbazone was probed with the help of its binding capacity with salmon sperm DNA (SS-DNA) by means of the absorption interaction method. Accompanied by biological activity, optoelectronic properties such as nonlinear optical properties of yielded crystal were also explored through the DFT approach at M06/6–311 G (d,p). For this, various kinds of investigations such as frontier molecular orbital (FMO), UV–Vis, global reactivity parameters (GRPs), transition density matrix (TDM), density of states (DOS), natural population analysis (NPA), and natural bond orbital analysis (NBO) were executed at M06 functional. A good agreement was examined between XRD and DFT findings of molecular geometric parameters. Notably, in comparison with urea, TSDHB demonstrated enhanced nonlinear optical properties (linear polarizability=4.766 × 10−23 esu and third-order hyperpolarizability=5.939 × 10−35 esu). These findings position TSDHB as a promising candidate for DNA binding as well as for photonic materials due to its unique molecular characteristics and enhanced nonlinear optical behavior. [ABSTRACT FROM AUTHOR]

Tigecycline has been considered the last treatment option for various difficult-to-treat diseases caused by multidrug-resistant pathogens. The recent emergence of resistance in bacteria has become a severe worldwide public health concern. In this study, surface-enhanced Raman spectroscopy (SERS) combined with chemometrics was used for the rapid discrimination of tigecycline-sensitive E. coli (TSEC) and tigecycline-resistant E. coli (TREC) strains. For this purpose, the SERS spectra of TSEC and TREC strains were acquired with and without tigecycline exposure and their mean spectra were compared to separate the spectral features associated with the development of resistance. To analyze the SERS spectra, principal component analysis (PCA) and hierarchal cluster analysis (HCA) were employed for the clustering of TSEC and TREC strains with and without tigecycline exposure based on their biochemical differences. Additionally, partial least squares – discriminant analysis (PLS-DA) successfully distinguished exposed and unexposed strains with 99% sensitivity, 99.8% specificity, and 100% accuracy. [ABSTRACT FROM AUTHOR]

Pipelines are the safest tools for transporting oil and gas. However, the environmental effects and sabotage of hostile people cause corrosion and decay of pipelines, which bring financial and environmental damages. Today, new technologies such as the Internet of Things (IoT) and wireless sensor networks (WSNs) can provide solutions to monitor and timely detect corrosion of oil pipelines. Coverage is a fundamental challenge in pipeline monitoring systems to timely detect and resolve oil leakage and pipeline corrosion. To ensure appropriate coverage on pipeline monitoring systems, one solution is to design a scheduling mechanism for nodes to reduce energy consumption. In this paper, we propose a reinforcement learning-based area coverage technique called CoWSN to intelligently monitor oil and gas pipelines. In CoWSN, the sensing range of each sensor node is converted to a digital matrix to estimate the overlap of this node with other neighboring nodes. Then, a Q-learning-based scheduling mechanism is designed to determine the activity time of sensor nodes based on their overlapping, energy, and distance to the base station. Finally, CoWSN can predict the death time of sensor nodes and replace them at the right time. This work does not allow to be disrupted the data transmission process between sensor nodes and BS. CoWSN is simulated using NS2. Then, our scheme is compared with three area coverage schemes, including the scheme of Rahmani et al., CCM-RL, and CCA according to several parameters, including the average number of active sensor nodes, coverage rate, energy consumption, and network lifetime. The simulation results show that CoWSN has a better performance than other methods. [ABSTRACT FROM AUTHOR]

The ligand, (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoic acid, and its tri-butylstannyl (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoate, trimethylstannyl (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoate and triethylstannyl (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoate complexes were obtained and characterized by different techniques. The spectroscopic data revealed the presence of the OH in the FTIR and NMR spectra of the (E)-4-((2-methoxyphenyl)amino)-4-oxobut-2-enoic acid and the absence of this peak in the spectra of the complexes confirm their successful formation. The geometry confirmation was done using single-crystal X-ray diffraction and found a 5-coordinated distorted trigonal bipyramidal comprising of the O1 of the carboxylate moiety, O3 of the amide moiety occupying the axial position while the three equatorial positions were occupied by the carbon atoms of the three butyl groups. The result of the DNA interaction of the representative compounds explored an intercalative binding mode as confirmed by UV-Visible spectroscopy and viscometry. The in silico study performed by SwissADME webserver suggested that reported compounds obey the rules of drug-likeness. [ABSTRACT FROM AUTHOR]

[Display omitted] • Synthesis of potentially bioactive triorganotin(IV) carboxylates. • Spectroscopic characterization. • In vitro anti-microbial, anti-cancer and anti-leishmanial activities. • Pharmacokinetic and Molecular docking studies. Six new triorganotin(IV) derivatives: [(C 6 H 5) 3 Sn(C 11 H 11 N 2 O 6)] (1), [(C 6 H 11) 3 Sn(C 11 H 11 N 2 O 6)] (2), [(C 7 H 7) 3 Sn(C 11 H 11 N 2 O 6)] (3), [(CH 3) 3 Sn(C 11 H 11 N 2 O 6)(C 10 H 8 N 2)] (4), [(CH 3) 3 Sn(C 11 H 11 N 2 O 6)(C 12 H 8 N 2)] (5), [(CH 3) 3 Sn(C 11 H 11 N 2 O 6)(C 14 H 12 N 4)] (6) were designed and prepared by the reaction of sodium 3‐[(4‐methoxy‐2‐nitrophenyl)carbamoyl]propanoic acid with the corresponding triorganotin(IV) chlorides. Their synthesis was confirmed by 1H, 13C and 119Sn-NMR, percentage elemental constituents, FT-IR, and ESI-mass spectrometric techniques. The OH stretching vibration of the carboxylic moiety in the spectrum of the free acid was absent in that of the sodium salt (NaL) of the acid which proves its formation. Moreover, the appearance of Sn-C and Sn-O stretching vibrations in the spectra of complexes conform their formation. The antimicrobial activity of the investigated compounds explored good antimicrobial activity in comparison to the reference drugs. The tested compounds were also treated against H-157 and BHK-21 cancerous cell lines and possess good anticancer potential in comparison to the vincristine drug used as standard. So based on the activity results it is concluded that the synthesized complexes after positive in vivo and other clinical studies may be used for cancer treatment. The tested compounds exhibit good anti-leishmanial activity. The results of molecular docking performed against cancer death receptor BRCA2 (PDB# 1NOW) and Leishmania major Pteridine reductase 1 (PTR1) of Escherichia coli BL21 (PDB # 5L42) also verify the in vitro experimental results. Pharmacokinetic properties of the tested compounds such as drug-likeness, bioavailability score etc. were determined and most of them follow the Lipinski's rule of 5. [ABSTRACT FROM AUTHOR]

Two mono-nuclear axially distorted octahedral copper(II) complexes have been prepared and characterized via FT-IR, UV–Visible, elctrochemical, electron spin resonance and powder and single crystal XRD techniques. The complexes consist of a phenanthroline and two carboxylate ligands each bonded in bidentate fashion. Carboxylates are ortho-nitro-2-phenyl acetate (L1) and para-chloro-2-phenyl acetate (L2). Structural study showed that both complexes possess Jahn–Teller distorted octahedral geometry. The bulk purity was assessed from the matching experimental and simulated powder XRD spectra. The results of spectroscopic techniques are consistent with each other. ESR data revealed single electron occupancy of dx2 − y2 orbital with 2B1g as ground state typical of tetragonally distorted octahedral geometry. Electrochemical solution study showed diffusion controlled electron transfer processes with diffusion co-efficient values of 10.323 × 10–8 cm2s–1 and 0.972 × 10–8 cm2s–1 for 1 and 2. Complexes exhibited excellent DNA-binding activity studied via UV–Visible spectroscopy, cyclic voltammetry, florescence spectroscopy and viscometry yielding Kb values of 1.871 × 104 M–1 (1) and 1.577 × 104 M–1 (2), 0.38 × 104 M–1 (1) and 6.39 × 104 M–1 (2) and 2.1 × 106 M–1 (1) and 2.0 × 06 M–1 (2), respectively, for the first three techniques. Complexes possess good antifungal activity against three fungal strains. [ABSTRACT FROM AUTHOR]

Electrolytes play a significant role in improving the stability and specific capacity of supercapacitors; however, they have gained less attention compared to the designing of electrode materials. This study presents the supercapacitor application of novel Prussian blue analog (PBA)-based fabricated electrodes in different electrolytes. PBA was derived by the ligand substitution of sodium pentacyanonitrosyl ferrate(III) dihydrate followed by precipitation with cobalt salt to yield cobalt pentacyano(methylaniline)ferrate(II) (CoPCF). The fabricated electrode exhibited specific capacity of 390, 233, 175, and 83 mA h g−1 in 3 M KOH, 1 M NaOH, 1 M LiOH, and 1 M KNO3 at 1 A g−1 with capacity retention of 88.80%, 89.95%, 92.42%, and 90.80%, respectively, after 1000 continuous charge–discharge cycles. Furthermore, a solid-state asymmetric supercapacitor (ASC) device was fabricated using a PVA/KOH polymer gel electrolyte that exhibited a specific capacity of 56 mA h g−1 with a specific energy density of 71 W h kg−1 and a specific power density of 2560 W kg−1 at a current density of 1 A g−1, with excellent capacity retention of 93% over 2000 continuous (dis)charge cycles. These results demonstrated that the introduction of organic ligands in the framework of PBAs along with the selection of the right electrolyte is an effective strategy in the development of high-capacity and stable supercapacitor electrodes. [ABSTRACT FROM AUTHOR]

The integration of the Internet of Things (IoT) in healthcare, especially for people with diabetes, allows for constant health monitoring. This means that doctors can watch over patients' health more closely, making sure they catch any issues early on. With this technology, healthcare workers can be more accurate and effective when keeping an eye on how patients are doing. This not only helps in keeping track of patients' health in real-time but also makes the whole process more reliable and efficient.By implementing appropriate routing techniques, the transmission of diabetic patients' data to medical centers will facilitate real-time and timely responses from healthcare professionals. The grasshopper optimization algorithm is employed in the proposed approach to cluster network nodes, resulting in the formation of a network tree that facilitates the establishment of connections between the cluster head and the base station. After identifying the cluster head and establishing the clusters, the second stage of routing is implemented by employing the Harris Hawks optimization algorithm. This algorithm ensures that the data pertaining to diabetic patients is transmitted to the treatment centers and hospitals with minimal delay. For node routing, the optimal next step is selected based on the parameters such as the residual energy of the node, the ratio of delivered data packages, and the number of the neighbors of the node. To continue, first, the MATLAB software is utilized to simulate the proposed method, and then, it is compared with other similar methods. This comparison is conducted based on various parameters, including delay, energy consumption, network throughput, and network lifespan. Compared to other methods, the proposed method demonstrates a significant 33% improvement in the average point-to-point delay parameter in the subsequent iterations or rounds. [ABSTRACT FROM AUTHOR]

Evolving internet technology has brought about changes in consumer lifestyle and increased online shopping. Grounded in the theory of technology readiness (TR), this study aims to examine the effect of factors such as optimism, innovativeness, insecurity, and discomfort that may motivate consumers' adoption intentions towards online food delivery ordering (OFDO) services. Additionally, this study intends to investigate the moderating role of situational influences (COVID-19) in affecting such an online behavior. By using survey methods, a total of 439 usable responses were gathered through an online survey. Data were analyzed by using Partial least square (PLS) and multigroup analysis (MGA) techniques. The results revealed that optimism and innovativeness have positive influences on adoption intentions while insecurity and discomfort have negative influences on adoption intentions in the use of OFDO services. The results also supported the moderating role of situational influences such as the COVID-19 pandemic. Furthermore, the PLS-MGA results indicate that the effects of optimism and innovativeness are stronger in demographic variables, i.e., young, male, high income, high education, etc. On the contrary, the effects of insecurity and discomfort are stronger for the opposite, i.e., elder, female, low income, low education, etc. Finally, this paper depicts remarkable insights for researchers, practitioners, service providers, and marketers. [ABSTRACT FROM AUTHOR]

Increasing haze pollution and its adverse effects on human health is pressuring academics and practitioners to search for different solutions for environmental sustainability around the world. Similar to other countries, Pakistan is also affected by air pollution, and smog has become a fifth season. In Pakistan, one of the main reasons of smog and air pollution is hazardous emissions from vehicles. As a result, the booming automobile industry of Pakistan is now affected by two major challenges: sustainable product development and organizational performance. To meet these challenges, the study has developed a conceptual model to find the effect of big data analytics on organizational performance by adopting a sustainable development program. For the elimination of standard method biases, the study has used a time lag approach to collect the data in three waves and receive 372 usable responses. The empirical results of PLS-SEM suggest that big data analytics have a positive effect on a sustainable product development and sustainable product development has a positive and significant impact on organizational performance. Moreover, mediation of a sustainable program development is also confirmed between big data analytics and organizational performance. The managerial and theoretical implications of these results are discussed. [ABSTRACT FROM AUTHOR]

The novel coronavirus disease 2019 (COVID-19) has affected the whole world and has now been declared a Pandemic by the World Health Organization (WHO). Although the mortality rate of this virus is low, it is especially potent against people with underlying systemic conditions. Dentistry is a profession where the doctor, as well as the dental staff, works in close vicinity to the patient's mouth. Dental education has two core components; didactic and clinical training (including patient care). Dental education has been interrupted in the past due to certain events (Arab Spring and SARS outbreak). Currently, the pandemic of COVID-19 has disrupted dental education globally as most of the dental schools and universities in the world have closed amidst the COVID-19 outbreak. Teledentistry is a subspecialty of telemedicine that helps in the provision of educational activities, advice, and diagnosis about treatment over a distance with the help of technology like video conferencing. The current overview summarizes the potential role of teledentistry in continuing the dental educational process in terms of delivery of didactic components, clinical training, and patient care. It can be concluded that with modern updated devices and tools, teledentistry can be an effective way to prevent disruption of dental education and it can be utilized in continuing the dental educational process in this critical time of the COVID-19 outbreak. [ABSTRACT FROM AUTHOR]

Two new binuclear Cu(II) complexes represented by the general formula {(dmso)Cu(μ-L)4Cu(dmso)} (1) and {(Phen)(L)Cu(μ-L)2Cu(L)(Phen)} (2) where dmso = dimethyl sulphoxide, L = 2-bromophenyl acetate and Phen = = 1,10-phenanthroline have been synthesized, isolated quantitatively and characterized by UV/Vis and FT-IR spectroscopic techniques, thermogravimetry/ /differential thermal analysis and X-ray single crystal XRD studies. Complex 1 is paddlewheel with 1,2-O,O-bridging while 2 has 1,1-O-bridging. The values of the intrinsic binding constants with DNA were found out to be 2.0×10³ and 1.1×10³ M-1, respectively for compound 1 and 2. The mode of interaction of complexes with DNA was also evaluated through computational study by molecular docking (in silico) study using molecular operating environment (MOE) software. The synthesized complexes are structurally as well as biologically important. [ABSTRACT FROM AUTHOR]

A series of novel azomethine precursors were synthesized by the condensation reactions of 3-(trifluoromethyl)benzenamine (tfmb) with 2-hydroxybenzaldehyde (HL1) (tfmbs), 2,3-dihydroxybenzaldehyde (HL2) (tfmbdh), 2-hydroxy-1-naphthaldehyde (HL3) (tfmbnd) and 5-chloro-2-hydroxybenzaldehyde (HL4) (tfmbCl). The oxidovanadium(IV) complexes of the type [VO(tfmbs)2] (1), [VO(tfmbdh)2] (2), [VO(tfmbnd)2] (3) and [VO(tfmbCl)2] (4) were also prepared by the reaction of ligands HL1–HL4 with vanadyl(V) isopropoxide [VO(OCHMe2)3]. The synthesized compounds were characterized by elemental analysis, FT-IR, multinuclear (1H and 13C) NMR spectroscopies, magnetic susceptibility measurements and thermogravimetry. The studies revealed that binding of precursors with metal took place through azomethine nitrogen and phenolic oxygen. The single-crystal analysis of HL1, HL4 and 3 has been carried out. The intercalation mode of interaction of the complexes with Salmon sperm DNA (SS-DNA) was established by the observed hypochromicity through UV–vis spectroscopic studies. The determined negative ΔG values confirmed the spontaneity of the binding process of complexes with SS-DNA. All the synthesized precursors and complexes were screened for their alkaline phosphatase inhibition, antimicrobial, hemolytic and insulin-mimetic properties, which exhibited significant activities with a few exceptions. [ABSTRACT FROM AUTHOR]

Summary: Energy system has been facing problems such as soaring energy cost and environmental concerns. Among different types of customers, large‐sized industrial building microgrids (μGs) with heavy load, that can contribute significantly to demand response and greenhouse gas (GHG) emissions reduction. Therefore, an optimal risk‐averse energy management strategy is required for this class of customers. The objective of this article is to devise an energy management system (EMS) for large‐scale industrial μG to reduce energy consumption cost and GHG emissions. Framework has been solved in MATLAB using conventional flower pollination algorithm (FPA). However, metaheuristic techniques such as FPA take large execution time and trap in local optimum. On the other hand, deterministic techniques cannot handle large problems, however, reach an optimum solution in a shorter time span. To address these issues of both classes of algorithms, article devises and validates hybrid modified FPA‐mixed‐integer linear programming solution algorithm. Simulations show that the proposed technique produces improved results with low execution time, providing a justification for the practical implementation of the concept in the smart energy distribution system. [ABSTRACT FROM AUTHOR]

Two new binuclear Cu(II) complexes represented by the general formula {(dmso)Cu(µ-L)4Cu(dmso)} (1) and {(Phen)(L)Cu(µ-L)2Cu(L)(Phen)} (2) where dmso = dimethyl sulphoxide, L = 2-bromophenyl acetate and Phen = 1,10-phenanthroline have been synthesized, isolated quantitatively and characterized by UV/Visible and FT-IR spectroscopic techniques, Thermogravimetry/Differential Thermal Analysis and X-ray single crystal XRD studies. Complex 1 is paddlewheel with 1,2-O,O-bridging while 2 has 1,1-O-bridging. The values of the intrinsic binding constants with DNA were found out to be 2.0×103 and 1.1×103 M-1, respectively for compound 1 and 2. The mode of interaction of complexes with DNA was also evaluated through computational study by molecular docking (in silico) study using MOE (molecular operating environment) software. The synthesized complexes are structurally as well as biologically important. [ABSTRACT FROM AUTHOR]

Five organotin complexes with general formulae [LCSSSnR2]n (R = Me, n-Bu, Ph) and R3SnLCSSSnR3 (R = n-Bu, Ph) were synthesized by the reaction of equimolar quantities of sarcosine (HLH) with KOH, CS2 and either R2SnCl2 (R = Me, n-Bu, Ph) or R3SnCl (R = n-Bu, Ph) in methanol. Elemental (CHNS) analyses data and mass spectroscopy agreed well with the molecular composition of the synthesized products. FTIR spectroscopy verified the monodentate binding mode of the carboxylate group and a bidentate chelating behavior of the dithiocarboxylate moiety of the ligand for binding with tin(IV). Thus, penta- and hexa-coordinated environments around tin were observed in the solid state in di- and triorganotin complexes, respectively. The penta-coordinated geometry in diorganotin(IV) product 2 was further verified by its single-crystal XRD analysis. The organotin moieties and ligand units were interconnected with each other alternately in hexameric cyclic arrangement. The number of protons found in 1H NMR spectra was in good agreement with those calculated by incremental method. Complexes were examined for their antioxidant, antimicrobial, antidiabetic, thrombolytic, hemolytic activities. The free ligand HLH was found inactive against all the four bacterial strains. [ABSTRACT FROM AUTHOR]

A rarely found polymeric complex of copper(II) was obtained in the reaction of 2-(4-methylphenyl)acetate and copper sulfate and crystallized in quantitative yield. The complex was characterized using FT-IR, electron spin resonance, absorption spectroscopy, electrochemistry and powder and single crystal XRD studies. The structure was found to consist of interconnected paddlewheel units without an intervening ligand resulting in a stepped polymeric arrangement of the structure. The purity of the sample was judged from powder XRD data while ESR spectroscopy indicated a weak signal between 3000 and 4000 G values, indicating the presence of Cu(II) in the complex. Electrochemistry revealed an irreversible, predominantly diffusion controlled CuIICuII/ /CuIICuI process with a D0 value calculated to be 3.032×10-8 cm2 s-1. The complex was screened for its DNA-binding ability through cyclic voltammetry, absorption and florescence spectroscopy and viscometry; the former two yielding Kb values of 3.34×103 and 6.90×103 M-1, respectively. The complex exhibited significant activity against fungal strain Mucor piriformis, moderate activity against Aspergillus niger and slight activity against Helminthosporium solani. These preliminary findings revealed the excellent biological potential of the synthesized complex. [ABSTRACT FROM AUTHOR]

Two new binuclear Cu(II) complexes represented by the general formula {(dmso)Cu(μ-L)4Cu(dmso)} (1) and {(Phen)(L)Cu(μ-L)2Cu(L)(Phen)} (2) where dmso = dimethyl sulphoxide, L = 2-bromophenyl acetate and Phen = 1,10-phenanthroline have been synthesized, isolated quantitatively and characterized by UV/Visible and FT-IR spectroscopic techniques, Thermogravimetry/Differential Thermal Analysis and X-ray single crystal XRD studies. Complex 1 is paddlewheel with 1,2-O,O-bridging while 2 has 1,1-O-bridging. The values of the intrinsic binding constants with DNA were found out to be 2.0×10³ and 1.1×10³ M-1, respectively for compound 1 and 2. The mode of interaction of complexes with DNA was also evaluated through computational study by molecular docking (in silico) study using MOE (molecular operating environment) software. The synthesized complexes are structurally as well as biologically important. [ABSTRACT FROM AUTHOR]

A rarely found polymeric complex of copper(II) was obtained from the reaction of para-methylphenyl acetate and copper sulfate and crystallized in quantitative yield. The complex was characterized using FT-IR, electron spin resonance, absorption spectroscopy, electrochemistry and powder and single crystal XRD studies. The structure was found to consist of intercomnected paddlewheel units without an intervening ligand resulting in stepped polymeric arrangement of the structure. Purity of the sample was judged from powder XRD data while the ESR spectroscopy indicated a weak signal between 3000 and 4000 G values indicating Cu(II) in the complex. Electrochemistry revealed irreversible, predominantly diffusion controlled CuIICuII/CuIICuI process with Do value calculated to be -3.032×10-8 cm²s-1. The complex was screened for DNA-binding ability through cyclic voltammetry, absorption and florescence spectroscopy and viscometry; the former two yielding Kb values =3.34 × 10³ and 6.90 × 10³ M-1, respectively. The complex exhibited significant activity against fungal strain Mucor piriformis (inhibiting its 75 ± 4% growth), moderate activity against Aspergillus Niger (inhibiting its 50 ± 3% growth) and slight activity against Helminthosporium solani. These preliminary findings revealed excellent biological potential of the synthesized complex. [ABSTRACT FROM AUTHOR]

BACKGROUND: Many novel biomaterials have been incorporated in toothpastes to promote remineralization of tooth structure. OBJECTIVES: This study was carried out to compare the discrepancies between declared and actual total fluoride (TF) or total soluble fluoride (TSF) concentration of two modern toothpastes containing bioactive glasses; these were also assessed for their remineralization potential. MATERIALS AND METHODS: The TF and TSF concentration were assessed using a fluoride ion selective electrode. Enamel remineralization was evaluated through micro-hardness analysis. Eighteen enamel blocks were divided into three groups: 1 (n = 6; control), 2 (n = 6; Novamin® toothpaste), and 3 (n = 6; BiominF® toothpaste). The specimens were demineralized by 6 wt% citric acid (pH = 2.2). Subsequently, the specimens in group 1 were kept in artificial saliva (AS), while the specimens in groups 2 and 3 were stored in AS + Novamin® and AS + Biomin®, respectively. RESULTS: Both Novamin® or BiominF® showed less TF concentration than their label claims. BiominF® had more TF and TSF compared to Novamin® (p < 0.05). The BiominF® toothpaste presented higher micro-hardness values on remineralization. CONCLUSION: BiominF® toothpaste demonstrated more fluoride content and greater potential to promote remineralization of demineralized human enamel compared to Novamin®. [ABSTRACT FROM AUTHOR]

Two new copper(II) carboxylate complexes with 2,2′‐bipyridine and para‐nitrophenyl acetate (complex 1) and phenyl acetate (complex 2) have been synthesized; isolated in quantitative yield; and characterized using fourier‐transform infrared spectroscopy (FT‐IR), electron paramagnetic resonance, absorption spectroscopy, electrochemistry, and powder and single crystal X‐ray diffraction (XRD) techniques. Being mononuclear, the geometry around copper in complex 1 is a Jahn–Teller distorted octahedral, while complex 2 is binuclear with slightly distorted square pyramidal geometry around both copper ions. Powder XRD indicated several peaks in spectra of both complexes, which coincided with their theoretical spectra. FT‐IR results of the carboxylate stretching frequency were in accordance with the single crystal structure data. Electron paramagnetic resonance spectra of complexes 1 and 2 yielded g┴ values of 2.06161 and 2.24623 and 1.94959, respectively, indicating a localized electron in b1 (dx2–y2‐orbital). Ultra‐violet (UV)–visible spectroscopy and electrochemistry helped in characterization, as well as in deoxyribonucleic acid (DNA)‐binding ability of the complexes, yielding DNA‐binding constant values = 1.351 × 104 and 1.361 × 104 and 1.820 × 104 and 2.426 × 104 M−1, respectively, for complexes 1 and 2. The complexes demonstrate good biological potential. [ABSTRACT FROM AUTHOR]

Di-n-butyl- (1) and diethyltin(IV) (2) derivatives of 3-methylphenylethanoic acid were synthesized and characterized by elemental analysis, atomic absorption, IR, 1H and 13C NMR spectroscopy and mass spectrometry. The spectroscopic data and single crystal X-ray diffraction studies for complex 2 have confirmed a bidentate coordination mode of the carboxylate ligand and the presence of hexacoordinated tin atoms in the complexes. The complexes were screened for their in vitro antibacterial activity against selected gram positive and gram negative bacterial strains. The anticancer potential was assessed against prostate cancer cell lines. Both complexes have shown higher activities than the ligand acid. Complex 1 with an IC50 value of 4.97 ± 0.27 μg/mL was found to be better anti prostate cancer agent than complex 2 (IC50 = 11.26 ± 2.18 μg/mL). Molecular docking study has suggested antibacterial action of the complexes in terms of their ability to develop hydrogen bonding and hydrophobic interactions with vital residues of the target proteins like tyrosyl-tRNA synthase from Staphylococcus aureus (gram-positive bacteria) and undecaprenyl diphosphate synthase from Escherichia coli (gram-negative bacteria). [ABSTRACT FROM AUTHOR]

Fungiform papillae are raised lingual structures which contain taste buds and thus play an important role in taste perception. These structures vary in number due to their relative sensitivity to a range of systemic and local factors which affect the dorsum of the tongue. Taste sensation can be measured using both chemical and electrical methods; however, the number of fungiform papillae has a direct effect on chemogustometric and electrogustometric values during evaluation. This review provides a general overview of fungiform papillae, their quantification methods and the various factors which may affect these structures. In addition, numerous methods of recording taste sensation and their clinical applications are highlighted. [ABSTRACT FROM AUTHOR]

Abstract Organotin (IV) derivatives of carboxylate ligand, 4-(4-methoxyanilino)-4-oxobutanoic acid, have been synthesized and characterized by FTIR, NMR, CHN analysis, mass spectrometry and X-ray crystallography. Single crystal data of four compounds (1–4) displayed a distorted trigonal bipyramidal environment around Sn with the three equatorial positions occupied by alkyl group. In compounds 1–3 , carboxylate oxygens of ligand play the role of a bridge between the adjacent tin atoms symmetrically giving a polymeric chain structure. In compound 4 , oxygen of the amide carbonyl moiety perform the same function and bridges the adjacent tin atoms [Sn O = 2.155 (3) and 2.428 (3) Å, respectively], with the three phenyl ipso -C atoms defining the trigonal plane and the axial positions occupied by O atoms [O1 Sn O3 = 177.62 (11) Å]. The τ values calculated for complexes 1–4 are 0.78, 0.77, 0.82 and 0.92, respectively, also confirm the trigonal bipyramidal geometry. The antimicrobial results of the synthesized compounds illustrate their use as a potential antimicrobial agent. The DNA interaction study performed by UV–visible spectroscopy as well as by molecular docking suggests the tested compounds interact with DNA through intercalation mode. The compounds were screened for anticancer activity performed against lung carcinoma and Vero cell lines resulting in activity that is almost equivalent to that of the standard, vincristine. The biological significance of these compounds is that there affect on the normal cell line is very small i.e., <27.1%. The compounds also exhibit good inhibition of urease enzyme. A good correlation was observed between the docking scores and biological activities of these compounds. Graphical abstract The synthesized organotin (IV) carboxylates display a wide range of attractive results including as DNA intercalator, Urease inhibitors, Anticancer agents and Antimicrobial agents. Overall there is a good correlation between the biological activities and docking studies. Image 1 Highlights • Synthesis of novel organotin (IV) carboxylates. • Spectroscopic characterizations and structural elucidation. • Interaction with SS-DNA via intercalative mode of interaction. • In vitro antibacterial, anticancer, urease inhibition and antileishmanial activity. • Molecular docking study. [ABSTRACT FROM AUTHOR]

Biological screening of different parts of the selected Berberis species (B. brevissima Jafri and B. parkeriana Schneid) showed that methanolic root extract possessed significant efficacy against Meloidogyne javanica (a root knot nematode). From root methanolic extracts of selected Berberis species four isoquinoline alkaloids; jatrorrhizine, dehydrocheilnthifoline, berberine and berberrubine were isolated. Structures of the isolated compounds were determined by using EIMS, ¹H and 13C NMR, and other 2D spectroscopic techniques. Percentage juveniles mortality of M. javanica was determined at various concentrations (100, 200 and 300 µg mL-1) using carbofuran as control. Berberine possessed the highest nematicidal activity (71.33%) followed by jatrorrhizine (59.50%). The in vitro results suggested that these compounds from Berberis species could be potential novel nematicides against M. javanica. [ABSTRACT FROM AUTHOR]

Individuals and organizations rely on social media to share files and knowledge. On the other hand, criminals find social media applications a rich place to attack through techniques like phishing, fraud, and blackmail. While the rate of blackmail is growing, there is a lack of literature on the subject. This study aims to examine the impact of information security regulation factors such as information security awareness, policies, and culture towards avoiding online blackmail threats. The study proposes a model constructed from technology threat avoidance theory (TTAT), the theory of planned behavior (TPB), and organizational control (OC). A quantitative approach based on an online survey was conducted to collect data from 547 employees and students from different industrial backgrounds. The results show that information security culture and information security awareness have an impact on users' motivation to avoid online blackmail threats through attitude and subjective norms. Furthermore, perceiving a mandated policy significantly impacts avoidance behavior. In addition, apathy and anticipated regret play a significant role in avoidance motivation. These results provide evidence on the importance of social factors on impacting avoidance motivation using the TTAT model. Further, the study encourages organizations to focus more on specifying policies and building an information security culture in order to ensure users avoid these threats through compliance and motivation. • Examined the Effect of regulatory factors on avoiding Online Blackmail Threats on Social Media. • We developed a model based on technology threat avoidance theory and organizational control model. • Culture and awareness have an impact on users' motivation through SN and Attitude. • Apathy and anticipated regret play a significant role in avoidance motivation. [ABSTRACT FROM AUTHOR]

Today, wireless sensor networks (WSNs) are growing rapidly and provide a lot of comfort to human life. Due to the use of WSNs in various areas, like health care and battlefield, security is an important concern in the data transfer procedure to prevent data manipulation. Trust management is an affective scheme to solve these problems by building trust relationships between sensor nodes. In this paper, a cluster-based trusted routing technique using fire hawk optimizer called CTRF is presented to improve network security by considering the limited energy of nodes in WSNs. It includes a weighted trust mechanism (WTM) designed based on interactive behavior between sensor nodes. The main feature of this trust mechanism is to consider the exponential coefficients for the trust parameters, namely weighted reception rate, weighted redundancy rate, and energy state so that the trust level of sensor nodes is exponentially reduced or increased based on their hostile or friendly behaviors. Moreover, the proposed approach creates a fire hawk optimizer-based clustering mechanism to select cluster heads from a candidate set, which includes sensor nodes whose remaining energy and trust levels are greater than the average remaining energy and the average trust level of all network nodes, respectively. In this clustering method, a new cost function is proposed based on four objectives, including cluster head location, cluster head energy, distance from the cluster head to the base station, and cluster size. Finally, CTRF decides on inter-cluster routing paths through a trusted routing algorithm and uses these routes to transmit data from cluster heads to the base station. In the route construction process, CTRF regards various parameters such as energy of the route, quality of the route, reliability of the route, and number of hops. CTRF runs on the network simulator version 2 (NS2), and its performance is compared with other secure routing approaches with regard to energy, throughput, packet loss rate, latency, detection ratio, and accuracy. This evaluation proves the superior and successful performance of CTRF compared to other methods. [ABSTRACT FROM AUTHOR]

Sensilla are sense organs in insects, generally comprising of a group of cuticle or epidermal cells that appear as hairs or rod-shaped structures. Sensilla serve as the functional elements of sensory systems. The morphology and ultrastructure of sensilla on the antennae of mature male and female Japanese sawyer beetles, Monochamus alternatus Hope (Coleoptera: Cerambycidae), were examined by means of scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Five types of sensilla (sensilla basiconica, sensilla trichodea, sensilla digit-like, sensilla rodlike, and sensilla bottle-like) were observed on antennae of males, and four types of sensilla (sensilla basiconica, sensilla trichodea, sensilla bottle-like, and sensilla chaetica) were observed on antennae of females. Sensilla basiconica and sensilla trichodea were found to be abundant on the front elevation of the antennae. TEM micrographs of sensilla basiconica on the antennae of M. alternatus clearly showed that they had no pits in the cuticular region. Micrographs of longitudinal sections of sensilla trichodea showed them to be flat-tipped and smooth-surfaced pegs with pointed tips that are suggestive of a gustatory function. TEM micrographs of sensilla chaetica longitudinal sections showed dendrite branches and no cuticular pore; these sensilla may be involved in the perception of humidity, temperature, heat, and CO2. These results are discussed in relation to the possible roles of the sensilla types in the host-locating behavior of M. alternatus. [ABSTRACT FROM AUTHOR]

Self-assembly of CuSO4, para-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 2Eg→2T2 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 Kb values 1.399 × 104 M−1 and 5.81 × 103 M−1, respectively. The complex exhibited significant activity against bacterial strains Escherichia coli, Micrococcus luteus and Staphylococcus aureus and good activity against Bacillus subtilis. These preliminary studies impart good biological relevance on the synthesized complex. [ABSTRACT FROM AUTHOR]

Bimetallic chlorodi-/triorganotin(IV) derivatives of general formulas R2(H2O)SnLCSSSn(Cl)R2 (R=Me: 1; Ph: 2) and R3Sn(Na)LCSSSnR3·H2O (R=Bu: 3; Ph: 4) were prepared by reaction of iminodiacetic acid disodium salt hydrate (Na2LH) with CS2 and R2SnCl2/R3SnCl in methanol. The reaction between Na2LH, CS2, and PdCl2 produced [Na2LCSS]2Pd·2H2O (5) which was treated with R3SnCl to synthesize the heterobimetallic derivatives [R3Sn(Na)LCSS]2Pd·2H2O (R=Me: 6; Ph: 7). The complexes were characterized by microanalysis, spectroscopic, and thermogravimetric analyses. Elemental analysis data, mass fragmentation, and thermal degradation patterns supported the molecular composition of the complexes. FT-IR data indicated monodentate binding of carboxylate while a chelating coordination mode of the dithiocarboxylate was verified in the solid state. A five-coordinate tin(IV) was demonstrated in the solid state. In solution, a tetrahedral/trigonal bipyramidal configuration around Sn(IV) and a square planar geometry of Pd(II) was indicated by multinuclear NMR (1H and 13C) and UV-visible studies. The Pd(II) derivatives showed interaction with salmon sperm-DNA and caused an inhibition of alkaline phosphatase (ALPs). The antibacterial/antifungal potential of the coordination products varied with the nature of incorporated metal and a substitution pattern at tin(IV); the palladium metallation decreased the antimicrobial activities. The triorganotin(IV) products exhibited more powerful action against bacteria/fungi as compared to their diorganotin(IV) counterparts. The complexes displayed sufficiently lower hemolytic effects in vitro as compared to triton X-100 and slightly higher than PBS. [ABSTRACT FROM AUTHOR]

Six new homobimetallic bis-diorganotin(IV) complexes: [MeSn]L ( 1), [EtSn]L ( 2), [ n-BuSn]L ( 3), [PhSn]L ( 4), [OctSn]L ( 5) and [ n-BuClSn]L ( 6) ( H L=N′, N′- bis(2-hydroxybenzylidene)adipodihydrazide) have been synthesized and structurally characterized by means of elemental analysis, mass spectroscopy, FT-IR, NMR (H, C{H}, Sn) and single-crystal X-ray diffraction. Spectroscopic studies indicate coordination of the ligand to the diorganotin(IV) moieties via iminolic oxygen, nitrogen and phenolic oxygen atoms generating pentacoordinated tin centers. Single-crystal X-ray analysis of ( 1) revealed homobimetallic nature of complex with dimethyltin moieties oriented in trans-conformation. The ligand is non-planar with each Sn atom in a distorted square pyramidal coordination geometry. Packing diagrams suggest the essential role of C-HN and C-HO interactions in generating supramolecular assembly. The ligand and complexes were screened for in vitro antimicrobial activity and cytotoxicity. Compound ( 4) exhibits highest cytotoxicity. [ABSTRACT FROM AUTHOR]

This paper reports the synthesis, X-ray crystal structure, DNA-binding, antibacterial and antifungal studies of a rare dihydroxo-bridged dinuclear copper(II) complex including 1,10-phenanthroline (Phen) ligands and phenylacetate (L) anions, [Cu 2 (Phen) 2 (OH) 2 (H 2 O) 2 ].2L.6H 2 O. Structural data revealed distorted square-pyramidal geometry for each copper(II) atom with the basal plane formed by the two nitrogen atoms of the phenantroline ligand and the oxygen atoms of two bridging hydroxyl groups. The apical positions are filled by the oxygen atom from a water molecule. This forms a centrosymmetric cationic dimer where the uncoordinated phenylacetate ligands serve to balance the electrical charge. The dimers interact by means of hydrogen bonds aided by the coordinated as well as uncoordinated water molecules and phenyl-acetate moieties in the crystal lattice. The binding ability of the complex with salmon sperm DNA was determined using cyclic voltammetry and absorption spectroscopy yielding binding constants 2.426 × 10 4 M −1 and 1.399 × 10 4 M −1 , respectively. The complex was screened against two Gram-positive ( Micrococcus luteus and Bacillus subtilis ) and one Gram-negative ( Escherichia coli ) bacterial strains exhibiting significant activity against all the three strains. The complex exhibited significant, moderate and no activity against fungal strains Mucor piriformis , Helminthosporium solani and Aspergillus Niger , respectively. These preliminary tests indicate the competence of the complex towards the development of a potent biological drug. [ABSTRACT FROM AUTHOR]

• Two new Schiff bases are synthesized which adopt enol and keto tautomeric forms. • The dihedral angles indicate the planar nature of molecules of both Schiff bases. • Both compounds have the potential for optical applications. • The molecular structure of both compounds is stabilized by hydrogen bonding. • Smaller void volumes indicate that the molecules are closely packed. The current work focuses on the synthesis of the two new Schiff base ligands derived from o -aminophenol named 2-[(E)-(3-chlorophenyl)methylidene]amino-phenol (2AP3Cl) and 4-Chloro-2-(E)-[(2-hydroxyphenyl)iminio]methyl-phenolate (2AP5Cl). The synthesized Schiff bases were characterized by different Spectro analytical techniques like CHN, FT-IR, and NMR (1H and 13C) analysis. Moreover, a single crystal X-ray diffraction (SC-XRD) study was carried out for both compounds, which inferred that 2AP3Cl and 2AP5Cl adopted enol and keto tautomeric forms, respectively. The supramolecular assembly with respect to strong and comparatively weak non-covalent interactions was explored by Hirshfeld surface analysis. The interaction energy between molecular pairs, energy frameworks, and void analysis was performed to further investigate the crystal packing environment. Both compounds were screened for their DNA binding abilities. Moreover, quantum chemical methods were applied to study the electronic structure, linear and nonlinear optical (NLO) polarizabilities of the synthesized Schiff bases. The 2AP3Cl and 2AP5Cl molecules exhibited good NLO hyperpolarizability of 9.62 × 104 and 7.90 × 104 au., respectively. The calculation of molecular electrostatic potentials, 3-D visualization of frontier molecular orbitals, and their orbital gaps were also studied. Overall, reasonably good third-order NLO response properties were calculated, which show a decent potential of synthesized compounds for their potential for NLO applications. [Display omitted] [ABSTRACT FROM AUTHOR]

Objectives: To compare the parental perceptions of the oral health-related quality of life (OHRQOL) of autistic and non-autistic children after full mouth rehabilitation under general anesthesia (GA). Methods and Materials: The study included 114 autistic children and 116 children without autism. Two years after receiving therapy under GA, participating parents completed a condensed version of the Perceptions Questionnaire (P-CPQ) and Family Impact Scale (FIS). Demographic data was collected. Oral symptoms, social health, psychology, functional limitation, and family affect ratings. Mean, standard deviation and statistical differences between groups were analyzed using SPSS. Results: Children with autism received higher overall P-CPQ scores than children without autism, according to the frequency distribution of the P-CPQ for parental perception when children with and without autism were compared. In all four domains, when scores were compared according to the domain, there was no statistically significant difference in the scores. According to the FIS frequency distribution, children with autism had higher total FIS scores than children without the condition. The change was not statistically significant, though. Only parental emotions showed a statistically significant difference when scores were examined by domain. Conclusion: Children with autism and children without autism score the same on the P-CPQ, indicating that the impact of comprehensive rehabilitation under GA is positive for both types of children. Parent emotions may not change immediately following the complete rehabilitation under GA which may be required to handle separately to boost the confidence of the patient. [ABSTRACT FROM AUTHOR]

Today, wireless sensor networks (WSNs) are growing rapidly and provide a lot of comfort to human life. Due to the use of WSNs in various areas, like health care and battlefield, security is an important concern in the data transfer procedure to prevent data manipulation. Trust management is an affective scheme to solve these problems by building trust relationships between sensor nodes. In this paper, a cluster-based trusted routing technique using fire hawk optimizer called CTRF is presented to improve network security by considering the limited energy of nodes in WSNs. It includes a weighted trust mechanism (WTM) designed based on interactive behavior between sensor nodes. The main feature of this trust mechanism is to consider the exponential coefficients for the trust parameters, namely weighted reception rate, weighted redundancy rate, and energy state so that the trust level of sensor nodes is exponentially reduced or increased based on their hostile or friendly behaviors. Moreover, the proposed approach creates a fire hawk optimizer-based clustering mechanism to select cluster heads from a candidate set, which includes sensor nodes whose remaining energy and trust levels are greater than the average remaining energy and the average trust level of all network nodes, respectively. In this clustering method, a new cost function is proposed based on four objectives, including cluster head location, cluster head energy, distance from the cluster head to the base station, and cluster size. Finally, CTRF decides on inter-cluster routing paths through a trusted routing algorithm and uses these routes to transmit data from cluster heads to the base station. In the route construction process, CTRF regards various parameters such as energy of the route, quality of the route, reliability of the route, and number of hops. CTRF runs on the network simulator version 2 (NS2), and its performance is compared with other secure routing approaches with regard to energy, throughput, packet loss rate, latency, detection ratio, and accuracy. This evaluation proves the superior and successful performance of CTRF compared to other methods. [ABSTRACT FROM AUTHOR]

Sensilla are sense organs in insects, generally comprising of a group of cuticle or epi-dermal cells that appear as hairs or rod-shaped structures. Sensilla serve as the functional elements of sensory systems. The morphology and ultrastructure of sensilla on the antennae of mature male and female Japanese sawyer beetles, Monochamus alternatus Hope (Coleoptera: Cerambycidae), were examined by means of scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Five types of sensilla (sensilla basiconica, sensilla trichodea, sensilla digit-like, sensilla rod-like, and sensilla bottle-like) were observed on antennae of males, and four types of sensilla (sensilla basiconica, sensilla trichodea, sensilla bottle-like, and sensilla chaetica) were observed on antennae of females. Sensilla basiconica and sensilla trichodea were found to be abundant on the front elevation of the antennae. TEM micrographs of sensilla basiconica on the antennae of M. alternatus clearly showed that they had no pits in the cuticular region. Micrographs of longitudinal sections of sensilla trichodea showed them to be flat-tipped and smooth-surfaced pegs with pointed tips that are suggestive of a gustatory function. TEM micrographs of sensilla chaetica longitudinal sections showed dendrite branches and no cuticular pore; these sensilla may be involved in the perception of humidity, temperature, heat, and CO2. These results are discussed in relation to the possible roles of the sensilla types in the host-locating behavior of M. alternatus. [ABSTRACT FROM AUTHOR]

Two new binuclear O-bridged copper(II) carboxylates with chemical formulas [Cu2(3-ClC6H4CH2COO)4(phen)2] (1) and [Cu2(3-ClC6H4CH2COO)4(bipy)2] (2) where phen = 1,10-phenanthroline and bipy = 2,2'-bipyridine have been synthesized and characterized by FT-IR, UV-Visible spectroscopy, CHN analysis and single crystal XRD. The results revealed distorted square pyramidal geometry around each copper atom of 1 and 2. The DNA interaction studies showed strong binding with Kb = 5.07 × 103 and 4.62 × 103 M-1 for 1 and 2, respectively. Both complexes showed strong enzyme inhibition, i.e., 70% and 90% for α-glucosidase with IC50 = 34.6 and 30.1 μM for 1 and 2, respectively, where acarbose was employed as control. However, both the complexes were found inactive against α-amylase. Using galantamine hydrobromide as control, 1 showed moderate inhibition activity (47%) with IC50= 179.4 μM for acetylcholine esterase whereas 2 showed strong inhibition activity (76%) with IC50 = 95.8 μM for butyrylcholine esterase. The data reflects active anti-diabetic and anti-Alzheimer's nature of the synthesized complexes. [ABSTRACT FROM AUTHOR]

Organotin complexes are being extensively studied and screened for their therapeutic potential. Although many recent advances and achievements in this field have been made, the exact mode of action of these complexes is yet to be unveiled. In the present review, an attempt has been made to correlate the therapeutic properties of organotin complexes with their structural features and the environment in which these interact with biological systems. The mechanism, various modes of interaction with biological systems, and physiological target sites of organotin complexes have been highlighted as well. [ABSTRACT FROM AUTHOR]