Green synthesis of silver nanoparticles by using Allium sativum extract and evaluation of their electrical activities in bio-electrochemical cell.

An electrical application of green synthesized silver nanoparticles (Ag NPs) by developing a unique bio-electrochemical cell (BEC) has been addressed in the report. Here, garlic extract (GE) has been used as a reducing agent to synthesize Ag NPs, and as a bio-electrolyte solution of BEC. Ag NPs successfully formed into face-centered cubic structures with average crystallite and particle sizes of 8.49 nm and 20.85 nm, respectively, according to characterization techniques such as the UV-vis spectrophotometer, XRD, FTIR, and FESEM. A broad absorption peak at 410 nm in the UV-visible spectra indicated that GE played a vital role as a reducing agent in the transformation of Ag+ions to Ag NPs. After that four types of BEC were developed by varying the concentration of GE, CuSO4. 5H2O, and Ag NPs electrolyte solution. The open circuit voltage and short circuit current of all cells were examined with the time duration. Moreover, different external loads (1 Ω, 2 Ω, 5 Ω, and 6 Ω) were used to investigate the load voltage and load current of BEC. The results demonstrated that the use of Ag NPs on BEC played a significant role in increasing the electrical performance of BEC. The use of GE-mediated Ag NPs integrated the power, capacity, voltage efficiency, and energy efficiency of BEC by decreasing the internal resistance and voltage regulation. These noteworthy results can take a frontier forward to the development of nanotechnology for renewable and low-cost power production applications.

Explicating genetic diversity based on ITS characterization and determination of antioxidant potential in sea buckthorn (Hippophae spp.).

BACKGROUND: Sea buckthorn (Hippophae) is in the focus of interest mainly for its positive effects on health of both human and animal organisms. Due to the similarities in vegetative morphology, Hippophae species are often misidentified. Therefore, current study was focused on ITS based sequence characterization of sea buckthorn species and comparative biochemical evaluation for its antioxidant properties. METHODS AND RESULTS: DNA was extracted from leaf samples. Primer pairs K-Lab-SeaBukRhm-ITS1F1- K-Lab-SeaBukRhm-ITS1R1 and K-LabSeaBukTib- ITSF1- K-LabSeaBukTib-ITSR1 were used for PCR amplification. The purified PCR products were outsourced for sequencing. Phylogenetic tree was constructed based on neighbor-joining (NJ) method. Moreover, comparison of antioxidant potential of leaves of two sea buckthorn species (Hippophae rhamnoides and Hippophae tibetana) collected from different regions of Ladakh viz., Stakna, Nubra, DRDO Leh and Zanskar was determined by 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2-azino-bis (3- ethylbenzothiazoline-6-sulphonic acid) diammonium salt (ABTS), and Total antioxidant capacity (TAC) by phosphomolybdenum assays. The present investigation led to the differentiation of two sea buckthorn species viz., H. rhamnoides and H. tibetana based on Internal Transcribed Spacer (ITS) region. Moreover, significant variation was observed in antioxidant potential of leaf extracts collected from different regions. CONCLUSIONS: Primary ITS sequence analysis was found to be powerful tool for identification and genetic diversity studies in sea buckthorn. Leaves of sea buckthorn have pronounced antioxidant properties and can be used in food, neutraceuticals and pharmaceutical industries etc. The current study will pave the way to discover small bioactive molecules responsible for antioxidant and anticancer properties in sea buckthorn.

Inhibition of microbial growth by silver nanoparticles synthesized from Fraxinus xanthoxyloides leaf extract.

AIMS: Conventional antibiotics have been failed to treat infectious diseases due to emergence of multidrug resistance (MDR) in some common pathogens. The current study aimed to formulate new antimicrobials from greener sources. In the midst of these efforts, nanotechnology is a newly emerged field, in which the synthesis of new nanoparticles through novel and efficient means is on the rise. METHODS AND RESULTS: The current work has been carried out to assess the potential of Fraxinus xanthoxyloides (FX) leaf extract in biosynthesis of silver nanoparticles (FX-AgNPs). This method is economical and simple one-step approach to synthesize AgNPs. Characterization of FX-AgNPs has been done by UV-Visible spectroscopy, scanning electron microscope (SEM), X-ray diffraction (XRD), transmission electronic microscope (TEM) and Fourier transforms infrared spectroscopy (FT-IR). The formation of FX-AgNPs has confirmed through UV-Visible spectroscopy (at 430 nm) by change of colour owing to surface Plasmon resonance. Based on the XRD pattern, the crystalline property of FX-AgNPs has established. Functional groups existing in F. xanthoxyloides leaf extract are confirmed by FT-IR spectrum. SEM and TEM authenticated morphology of the AgNPs. The newly synthesized nanoparticles were evaluated for their antimicrobial potential. Minimum inhibitory concentration was determined against Escherichia coli, methicillin-resistant Staphylococcus aureus (MRSA) strains, Pseudomonas aeruginosa and Candida albicans by microtiter plate assay. The lowest inhibition (69%) observed against MRSA was at a concentration of 50 ppm FX-AgNPs and maximum inhibition (81%) observed was against P. aeruginosa. The biosynthesized AgNPs triggered up to 68·6% reduction of the P. aeruginosa biofilm when compared to the control. CONCLUSION: It can be concluded that nanoparticles could be a better alternative of antibiotics with greater efficacies and represent a valuable milestone to fight against infections caused by MDR pathogens. SIGNIFICANCE AND IMPACT OF THE STUDY: This study imparts a useful insight into the development of a new antimicrobial agent from a novel source.

Classification of Individual Finger Movements from Right Hand Using fNIRS Signals.

Functional near-infrared spectroscopy (fNIRS) is a comparatively new noninvasive, portable, and easy-to-use brain imaging modality. However, complicated dexterous tasks such as individual finger-tapping, particularly using one hand, have been not investigated using fNIRS technology. Twenty-four healthy volunteers participated in the individual finger-tapping experiment. Data were acquired from the motor cortex using sixteen sources and sixteen detectors. In this preliminary study, we applied standard fNIRS data processing pipeline, i.e., optical densities conversation, signal processing, feature extraction, and classification algorithm implementation. Physiological and non-physiological noise is removed using 4th order band-pass Butter-worth and 3rd order Savitzky-Golay filters. Eight spatial statistical features were selected: signal-mean, peak, minimum, Skewness, Kurtosis, variance, median, and peak-to-peak form data of oxygenated haemoglobin changes. Sophisticated machine learning algorithms were applied, such as support vector machine (SVM), random forests (RF), decision trees (DT), AdaBoost, quadratic discriminant analysis (QDA), Artificial neural networks (ANN), k-nearest neighbors (kNN), and extreme gradient boosting (XGBoost). The average classification accuracies achieved were 0.75±0.04, 0.75±0.05, and 0.77±0.06 using k-nearest neighbors (kNN), Random forest (RF) and XGBoost, respectively. KNN, RF and XGBoost classifiers performed exceptionally well on such a high-class problem. The results need to be further investigated. In the future, a more in-depth analysis of the signal in both temporal and spatial domains will be conducted to investigate the underlying facts. The accuracies achieved are promising results and could open up a new research direction leading to enrichment of control commands generation for fNIRS-based brain-computer interface applications.

Influence of Mg substitution on structural, magnetic and electrical properties of Zn-Cu ferrites.

Studies on Mg substituted Zn-Cu ferrites with chemical formula of Zn0.6Cu0.4-xMgxFe2O4 were synthesized by solid-state reaction technique. The structural phase of all the samples is characterized by XRD, show single phased cubic spinel structure. Density of the samples increases with the increase of Mg quantity. Average grain diameter decreases with increasing Mg content. All samples show soft ferromagnetic behavior as confirmed from the M-H hysteresis loop obtained from the VSM analysis. Thesaturation magnetization decreases with increasing Mg quantity. Increasing and decreasing trend of coercivity with the increase of Mg quantityis observed, which led to the slightly hard magnetic phase. The high frequencies create more effective for the ferrite grains of advanced conductivity and minor dielectric constant for all the samples but the AC electrical resistivity and dielectric constant are initiate to be more operational at lower frequencies. The variation of resistivity, dielectric constant with the Mg concentration is completely related to the porosity and bulk density.

Inequality in utilization of cesarean delivery in Bangladesh: a decomposition analysis using nationally representative data.

OBJECTIVE: This study examined the inequality in cesarean section (CS) utilization and its socio-economic contributors. STUDY DESIGN: Retrospective two-stage stratified sample design. METHODS: Data were extracted from two rounds of the Bangladesh Demographic and Health Survey conducted in 2004 and 2014. Concentration Index of CS utilization was calculated using the wealth quintile. Regression-based decomposition method was applied to assess the socio-economic contributors of inequality in CS utilization. RESULTS: The rate of CS utilization increased from 4.98% in 2004 to 24.21% in 2014. The utilization of CS was highly concentrated among the women of higher socio-economic status (SES) in both rounds of the survey. Results of the decomposition models revealed wealth quintile, higher education, higher number of antenatal visits, and being overweight or obese as the critical factors contributing to the inequalities of CS utilization. CONCLUSION: Bangladesh is now observing a rapid rise in CS utilization and women with higher SES are the main client group of this life saving procedure. There may have inadequate access for those who are relatively less advantaged, even when CS is necessary. Strong initiative from the government is necessary to ensure proper access to this service regardless of women's SES.

Thermo-therapeutic applications of chitosan- and PEG-coated NiFe2O4 nanoparticles.

The paper reports the thermo-therapeutic applications of chitosan- and PEG-coated nickel ferrite (NiFe2O4) nanoparticles. In this study NiFe2O4 nanoparticles were synthesized by the co-precipitation method, tuning the particle size through heat treatment in the temperature range from 200-800 °C for 3 h. XRD and TEM analysis revealed that the the ultrafine nanoparticles were of size 2-58 nm. Crystallinity of the NiFe2O4 nanoparticles in the as-dried condition with the particle size ∼2-3 nm was confirmed from the presence of a lattice fringe in the HRTEM image. VSM measurements showed that a superparamagnetic/ferromagnetic transition occurs with increasing particle size, which was further confirmed by Mössbauer spectroscopy. The nickel ferrite nanoparticles with optimum particle size of 10 nm were then coated with materials commonly used for biomedical applications, i.e. chitosan and PEG, to form homogeneous suspensions. The hydrodynamic diameter and the polydispersity index (PDI) were analyzed by dynamic light scattering at the physiological temperature of 37 °C and found to be 187 nm and 0.21 for chitosan-coated nanoparticles and 285 nm and 0.32 for PEG-coated ones. The specific loss power of rf induction heating by the set-up for hyperthermia and r 2 relaxivity by the nuclear magnetic resonance were determined. The results of induction heating measurements showed that the temperature attained by the nanoparticles of size 10 nm and concentration of about 20 mg ml(-1) was >70 °C (for chitosan) and >64 °C (for PEG). It has been demonstrated that the required temperature for hyperthermia heating could be tuned by tuning the particle size, shape and magnetization and the concentration of solution. For other potential biomedical applications of the NiFe2O4 nanoparticle solution, e.g. magnetic resonance imaging, the NMR studies yielded the T 1 and T 2 relaxivities as 0.348 and 89 mM(-1) s(-1) respectively. The fact that the T 2 relaxivity is orders of magnitude higher than T 1 indicates that this is suitable as a T 2 contrast agent for magnetic resonance imaging.

Serological and coprological analyses for the diagnosis of Fasciola gigantica infections in bovine hosts from Sargodha, Pakistan.

A serological and coprological survey of fasciolosis was conducted in bovine hosts from the Sargodha district, Pakistan using excretory-secretory (ES) antigens of Fasciola gigantica from cattle and buffaloes. Livers, faecal and blood samples of 146 cattle and 184 buffaloes were collected from slaughterhouses and examined for the presence of any Fasciola in bile ducts and ova in faeces. Serum was separated. ES antigens were prepared by incubating adult Fasciola in phosphate-buffered saline for 6-8 h and then filtering using a 0.22-µm syringe filter. Checkerboard titration was performed and optimum concentrations of antigen and serum were determined. Sero-prevalence was found to be 50.00 and 38.35% in buffalo and cattle, respectively. Using liver examination as the gold standard, enzyme-linked immunosorbent assay (ELISA) sensitivity was found to be 100% in both buffalo and cattle as compared with that of coprological examination in buffalo (61.79%) and cattle (54.54%). This indigenous ELISA was also highly specific, with values of 96.84 and 98.90% in buffalo and cattle, respectively. Positive predictive values were calculated as 96.74 and 98.21% in buffalo and cattle, respectively, while negative predictive values were 100%. For the validation of indigenous ELISA in field surveys, faecal and blood samples were collected from six sub-districts (tehsils) in the district of Sargodha. Sera were screened for the presence of anti-fasciola antibodies using both the indigenous and commercial ELISA kits. While both kits were equally sensitive, the indigenous ELISA was found to be more specific. The highest prevalence of fasciolosis was found in December, as ascertained using both serological and coprological examination. Significant differences were found in prevalences of fasciolosis in different sub-districts and age groups, together with feeding and watering systems.

High-grade glioma management and response assessment-recent advances and current challenges.

The management of high-grade gliomas (hggs) is complex and ever-evolving. The standard of care for the treatment of hggs consists of surgery, chemotherapy, and radiotherapy. However, treatment options are influenced by multiple factors such as patient age and performance status, extent of tumour resection, biomarker profile, and tumour histology and grade. Follow-up cranial magnetic resonance imaging (mri) to differentiate treatment response from treatment effect can be challenging and affects clinical decision-making. An assortment of advanced radiologic techniques-including perfusion imaging with dynamic susceptibility contrast mri, dynamic contrast-enhanced mri, diffusion-weighted imaging, proton spectroscopy, mri subtraction imaging, and amino acid radiotracer imaging-can now incorporate novel physiologic data, providing new methods to help characterize tumour progression, pseudoprogression, and pseudoresponse. In the present review, we provide an overview of current treatment options for hgg and summarize recent advances and challenges in imaging technology.

Biosynthesis and characterizations of silver nanoparticles by using green banana peel extract: Evaluation of their antibacterial and electrical performances.

Biosynthesized silver nanoparticles (Ag NPs) hold tremendous promise in nano-bioscience, with applications spanning engineering, science, and industry. This study delves into their fabrication process, crystallographic characteristics, and nanostructures. Employing green banana peel extract (GBPE), Ag NPs were synthesized. Various analytical techniques, such as UV-Vis absorption spectrophotometry (UV), X-ray diffraction (XRD), Gas chromatography-mass spectrometry (GC-MS), Field emission scanning electron microscopy (FESEM), Fourier-transform infrared spectroscopy (FTIR), and Transmission electron microscopy (TEM) elucidate their attributes. UV-visible analysis reveals a 413 nm absorption band due to surface plasmon resonance. The Ag NPs exhibit a face-centered cubic structure with an average crystallite size of 45.87 nm. Lattice parameters and dislocation density are also determined. When tested against harmful bacteria, such as E. coli and S. epidermidis, advanced microscopy reveals a median size of particles of 55.12 nm and demonstrates their antibacterial characteristics. These environmentally benign Ag NPs also improve the efficiency of bio-electrochemical cells (BECs), opening the door to large-scale manufacturing at a reasonable cost and broadening the range of possible uses.

Biosynthesis of silver nanoparticles by banana pulp extract: Characterizations, antibacterial activity, and bioelectricity generation.

Here, green banana pulp extract (PE) has been used as a bio-reducing agent for the reduction of silver ions to silver nanoparticles (AgNPs). Bio-synthesized AgNPs were characterized by using UV, XRD, FEEM, TEM, and FTIR analysis. The face-centered cubic structures of AgNPs were formed with an average crystallite size of 31.26 nm and an average particle size of 42.97 nm. In this report, the electrical activities of green synthesized AgNPs have been evaluated along with the antibacterial activities. The antibacterial activities of AgNPs were evaluated against two pathogenic bacteria: Escherichia coli (gram-negative) and Staphylococcus epidermidis (gram-positive). AgNPs were added to the electrochemical cell and results demonstrated the improvement of power of the electrochemical cell. Green synthesized AgNPs showed excellent antibacterial activities against both gram-positive and negative bacteria and most importantly the NPs played an important role as an effective catalyst to enhance the electrical performance of bio-electrochemical cells. These significant findings may help in the advancement of nanotechnology in biomedical applications as well as in the creation of cheap and eco-friendly power generation devices.

Exploring the influence of iron doping on structural, morphological and optical properties of chemical bath deposited cadmium selenide thin films for optoelectronic applications.

This research investigates the structural, morphological, and optical properties of Cadmium Selenide (CdSe) thin films deposited via the Chemical Bath Deposition (CBD) Technique, focusing on the impact of Iron (Fe) doping. Using Cadmium Chloride (CdCl2) and Ferrous chloride (FeCl2) as precursor materials, the research investigates how Fe doping affects the structural and photoelectric characteristics of the films. Employing various characterization methods including X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier-Transform Infrared Spectroscopy (FTIR), and UV-Vis NIR spectroscopy, the study provides a comprehensive analysis of the films. XRD analysis confirms the formation of a cubic structure with a predominant orientation along the (111) plane, consistent with XRD peaks. Additionally, XRD data reveals the degradation of thin films post-annealing. Crystalline size and strain are determined using the Debye-Scherrer and Wilson formulae, while lattice constant and Size-strain plots are derived from X-ray line broadening. The average crystallite size ranges from 12 to 21 nm. Optical band gaps are found to be 2.25 eV, 2.91 eV, 2.87 eV, and 2.85 eV for the samples. Interestingly, a decrease in crystal size with increasing doping concentration correlates with a reduction in bandgap. This investigation offers valuable insights into the fabrication and characterization of CdSe thin films, particularly highlighting the impact of Fe doping on their structural and optical properties. Overall, this study provides valuable insights into the fabrication and characterization of CdSe thin films, emphasizing the importance of precise doping control for tailoring material properties and advancing their applications in photovoltaic and optoelectronic devices.

Crystallographic structure, antibacterial effect, and catalytic activities of fig extract mediated silver nanoparticles.

Silver nanoparticles (Ag NPs) play a pivotal role in the current research landscape due to their extensive applications in engineering, biotechnology, and industry. The aim is to use fig (Ficus hispida Linn. f.) extract (FE) for eco-friendly Ag NPs synthesis, followed by detailed characterization, antibacterial testing, and investigation of bioelectricity generation. This study focuses on the crystallographic features and nanostructures of Ag NPs synthesized from FE. Locally sourced fig was boiled in deionized water, cooled, and doubly filtered. A color change in 45 mL 0.005 M AgNO3 and 5 mL FE after 40 min confirmed the bio-reduction of silver ions to Ag NPs. Acting as a reducing and capping agent, the fig extract ensures a green and sustainable process. Various analyses, including UV-vis absorption spectrophotometry (UV), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), Field emission scanning electron microscopy (FESEM), Energy dispersive X-ray spectroscopy (EDX) and Transmission electron microscopy (TEM) were employed to characterize the synthesized nanoparticles, and Gas chromatography-mass spectrometry (GC-MS) analysis of the fig extract revealed the presence of eleven chemicals. Notably, the Ag NPs exhibited a surface plasmon resonance (SPR) band at 418 nm, confirmed by UV analysis, while FTIR and XRD results highlighted the presence of active functional groups in FE and the crystalline nature of Ag NPs respectively. With an average particle size of 44.57 nm determined by FESEM and a crystalline size of 35.87 nm determined by XRD, the nanoparticles showed strong antibacterial activities against Staphylococcus epidermidis and Escherichia coli. Most importantly, fig fruit extract has been used as the bio-electrolyte solution to generate electricity for the first time in this report. The findings of this report can be the headway of nano-biotechnology in medicinal and device applications.

CD4 T cell memory and antibody responses directed against the pneumococcal histidine triad proteins PhtD and PhtE following nasopharyngeal colonization and immunization and their role in protection against pneumococcal colonization in mice.

The present study was undertaken to understand the role of vaccine candidates PhtD and PhtE in pneumococcal nasopharyngeal (NP) colonization, their ability to induce CD4 T cell memory and antibody responses following primary NP colonization, and their contribution to protection against secondary pneumococcal colonization in mice. The study was also aimed at understanding the potential of immunization with PhtD and PhtE in eliciting qualitative CD4 T cell memory responses and protection against pneumococcal NP colonization in mice. PhtD and PhtE isogenic mutants in a TIGR4 background (TIGR4 ΔPhtD and TIGR4 ΔPhtE) were constructed and found to have a significantly reduced colonization density over time in the nasopharynges of mice compared to those of mice colonized with wild-type TIGR4. Mice with primary colonization by wild-type TIGR4, TIGR4 ΔPhtD, or TIGR4 ΔPhtE were protected against secondary colonization by wild-type TIGR4; nonetheless, the clearance of secondary colonization was slower in mice with primary colonization by either TIGR4 ΔPhtD or TIGR4 ΔPhtE than in mice with primary colonization by wild-type TIGR4. Colonization was found to be an immunizing event for PhtD and PhtE antigens (antibody response); however, we failed to detect any antigen (PhtD or PhtE)-specific CD4 T cell responses in any of the colonized groups of mice. Intranasal immunization with either PhtD or PhtE protein generated robust serum antibody and CD4 Th1-biased immune memory and conferred protection against pneumococcal colonization in mice. We conclude that PhtD and PhtE show promise as components in next-generation pneumococcal vaccine formulations.

Progressive Dysregulation of Tau Phosphorylation in an Animal Model of Temporal Lobe Epilepsy.

Tau is an intracellular protein known to undergo hyperphosphorylation and subsequent neuro-toxic aggregation in Alzheimer's disease (AD). Here, tau expression and phosphorylation at three canonical loci known to be hyperphosphorylated in AD (S202/T205, T181, and T231) were studied in the rat pilocarpine status epilepticus (SE) model of temporal lobe epilepsy (TLE). We measured tau expression at two time points of chronic epilepsy: two months and four months post-SE. Both time points parallel human TLE of at least several years. In the whole hippocampal formation at two months post-SE, we observed modestly reduced total tau levels compared to naïve controls, but no significant reduction in S202/T205 phosphorylation levels. In the whole hippocampal formation from four month post-SE rats, total tau expression had reverted to normal, but there was a significant reduction in S202/T205 tau phosphorylation levels that was also seen in CA1 and CA3. No change in phosphorylation was seen at the T181 and T231 tau loci. In somatosensory cortex, outside of the seizure onset zone, no changes in tau expression or phosphorylation were seen at the later time point. We conclude that total tau expression and phosphorylation in an animal model of TLE do not show hyperphosphorylation at the three AD canonical tau loci. Instead, the S202/T205 locus showed progressive dephosphorylation. This suggests that changes in tau expression may play a different role in epilepsy than in AD. Further study is needed to understand how these changes in tau may impact neuronal excitability in chronic epilepsy.

An ab initio DFT perspective on experimentally synthesized CuBi2O4.

Here we present a comprehensive density functional theory (DFT) based ab initio study of copper bismuth oxide CuBi2O4 (CBO) in combination with experimental observations. The CBO samples were prepared following both solid-state reaction (SCBO) and hydrothermal (HCBO) methods. The P4/ncc phase purity of the as-synthesized samples was corroborated by Rietveld refinement of the powdered X-ray diffraction measurements along with Generalized Gradient Approximation of Perdew-Burke-Ernzerhof (GGA-PBE) and the Hubbard interaction U corrected GGA-PBE+U relaxed crystallographic parameters. Scanning and field emission scanning electron micrographs confirmed the particle size of the SCBO and HCBO samples to be ∼250 and ∼60 nm respectively. The GGA-PBE and GGA-PBE+U derived Raman peaks are in better agreement with that of the experimentally observed ones when compared to local density approximation based results. The DFT derived phonon density of states conforms with the absorption bands in Fourier transform infrared spectra. Both structural and dynamic stability criteria of the CBO are confirmed by elastic tensor and density functional perturbation theory-based phonon band structure simulations respectively. The CBO band gap underestimation of GGA-PBE as compared to UV-vis diffuse reflectance derived 1.8 eV was eliminated by tuning the U and the Hartree-Fock exact-exchange mixing parameter αHF in GGA-PBE+U and Heyd-Scuseria-Ernzerhof (HSE06) hybrid functionals respectively. The HSE06 with αHF = 14% yields the optimum linear optical properties of CBO in terms of the dielectric function, absorption, and their derivatives as compared to that of GGA-PBE and GGA-PBE+U functionals. Our as-synthesized HCBO shows ∼70% photocatalytic efficiency in degrading methylene blue dye under 3 h optical illumination. This DFT-guided experimental approach to CBO may help to gain a better understanding of its functional properties.

Combined experimental and DFT approach to BiNbO4 polymorphs.

Here we present a detailed ab initio study of two experimentally synthesized bismuth niobate BiNbO4 (BNO) polymorphs within the framework of density functional theory (DFT). We synthesized orthorhombic α-BNO and triclinic ß-BNO using a solid-state reaction technique. The underlying Pnna and P1̄ crystal symmetries along with their respective phase purity have been confirmed from Rietveld refinement of the powdered X-ray diffraction measurements in combination with generalized gradient approximation of Perdew-Burke-Ernzerhof (GGA-PBE) based DFT simulations. The scanning electron micrographs revealed average grain sizes to be 500 nm and 1 µm for α-BNO and ß-BNO respectively. The energy-dispersive X-ray spectroscopy identified the Bi, Nb, and O with proper stoichiometry. The phase purity of the as-synthesized samples was further confirmed by comparing the local density approximation (LDA) norm-conserving pseudo-potential based DFT-simulated Raman peaks with that of experimentally measured ones. The relevant bond vibrations detected in Fourier transform infrared spectroscopy were matched with GGA-PBE derived phonon density of states simulation for both polymorphs. The structural stability and the charge dynamics of the polymorphs were verified from elastic stress and born charge tensor simulations respectively. The dynamical stability of the α-BNO was confirmed from phonon band structure simulation using density functional perturbation theory with Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional. The electronic band gaps of 3.08 and 3.36 eV for α-BNO and ß-BNO measured from UV-Vis diffuse reflectance measurements were matched with the sophisticated HSE06 band structure simulation by adjusting the Hartree-Fock exchange parameter. Both GGA-PBE and HSE06 functional were used to simulate complex dielectric function and its derivatives with the help of Fermi's golden rule to define the optical properties in the linear regime. All these may have provided a rigorous theoretical analysis for the experimentally synthesized α-BNO and ß-BNO polymorphs.

A combined first principles and experimental approach to Bi2WO6.

Here we synthesized Bi2WO6 (BWO) using both solid-state reaction (SBWO) and hydrothermal (HBWO-U and HBWO-S) methods. The orthorhombic Pca21 phase purity in all samples is confirmed from Rietveld refinement of X-ray diffraction data, Raman spectroscopy, and Fourier transform infrared spectroscopy. The HBWO-U and HBWO-S morphology revealed rectangular, spherical, and rod-like features with an average particle size of 55 nm in field emission scanning electron micrographs. A high-resolution transmission electron micrograph showed spherical-shaped particles in the HBWO-U sample with an average diameter of ∼10 nm. The diffuse reflectance-derived indirect electronic band gaps lie within the 2.79-3.23 eV range. The BWO electronic structure is successfully modeled by Hubbard interaction Ud and Up corrected Perdew-Burke-Ernzerhof generalized gradient approximation GGA-PBE+Ud+Up with van der Waals (vdW) force in effect. The optimized (Ud, Up) values are further justified by tuning the Hartree-Fock (HF) exact-exchange mixing parameter αHF from 25% in Heyd-Scuseria-Ernzerhof (HSE06) to 20% in the PBE-HF20% functional. Moreover, no inconsistencies were seen in the GGA-PBE+Ud+Up+vdW simulated crystallographic parameters, and the elastic tensor, phonon, and linear optical properties. Overall, the computationally cheap GGA-PBE+Ud+Up with vdW force may have successfully probed the physical properties of BWO.

Non-invasive transcranial electrical brain stimulation guided by functional near-infrared spectroscopy for targeted neuromodulation: a review.

One of the primary goals in cognitive neuroscience is to understand the neural mechanisms on which cognition is based. Researchers are trying to find how cognitive mechanisms are related to oscillations generated due to brain activity. The research focused on this topic has been considerably aided by developing non-invasive brain stimulation techniques. The dynamics of brain networks and the resultant behavior can be affected by non-invasive brain stimulation techniques, which make their use a focus of interest in many experiments and clinical fields. One essential non-invasive brain stimulation technique is transcranial electrical stimulation (tES), subdivided into transcranial direct and alternating current stimulation. tES has recently become more well-known because of the effective results achieved in treating chronic conditions. In addition, there has been exceptional progress in the interpretation and feasibility of tES techniques. Summarizing the beneficial effects of tES, this article provides an updated depiction of what has been accomplished to date, brief history, and the open questions that need to be addressed in the future. An essential issue in the field of tES is stimulation duration. This review briefly covers the stimulation durations that have been utilized in the field while monitoring the brain using functional-near infrared spectroscopy-based brain imaging.

Acupuncture enhances brain function in patients with mild cognitive impairment: evidence from a functional-near infrared spectroscopy study.

Mild cognitive impairment (MCI) is a precursor to Alzheimer's disease. It is imperative to develop a proper treatment for this neurological disease in the aging society. This observational study investigated the effects of acupuncture therapy on MCI patients. Eleven healthy individuals and eleven MCI patients were recruited for this study. Oxy- and deoxy-hemoglobin signals in the prefrontal cortex during working-memory tasks were monitored using functional near-infrared spectroscopy. Before acupuncture treatment, working-memory experiments were conducted for healthy control (HC) and MCI groups (MCI-0), followed by 24 sessions of acupuncture for the MCI group. The acupuncture sessions were initially carried out for 6 weeks (two sessions per week), after which experiments were performed again on the MCI group (MCI-1). This was followed by another set of acupuncture sessions that also lasted for 6 weeks, after which the experiments were repeated on the MCI group (MCI-2). Statistical analyses of the signals and classifications based on activation maps as well as temporal features were performed. The highest classification accuracies obtained using binary connectivity maps were 85.7% HC vs. MCI-0, 69.5% HC vs. MCI-1, and 61.69% HC vs. MCI-2. The classification accuracies using the temporal features mean from 5 seconds to 28 seconds and maximum (i.e, max(5:28 seconds)) values were 60.6% HC vs. MCI-0, 56.9% HC vs. MCI-1, and 56.4% HC vs. MCI-2. The results reveal that there was a change in the temporal characteristics of the hemodynamic response of MCI patients due to acupuncture. This was reflected by a reduction in the classification accuracy after the therapy, indicating that the patients' brain responses improved and became comparable to those of healthy subjects. A similar trend was reflected in the classification using the image feature. These results indicate that acupuncture can be used for the treatment of MCI patients.