Specific interaction from different Aß42 peptide fragments to α7nAChR-A study of molecular dynamics simulation.

CONTEXT: Existing researches confirmed that ß amyloid (Aß) has a high affinity for the α7 nicotinic acetylcholine receptor (α7nAChR), associating closely to Alzheimer's disease. The majority of related studies focused on the experimental reports on the neuroprotective role of Aß fragment (Aßx), however, with a lack of investigation into the most suitable binding region and mechanism of action between Aß fragment and α7nAChR. In the study, we employed four Aß1-42 fragments Aßx, Aß1-16, Aß10-16, Aß12-28, and Aß30-42, of which the first three were confirmed to play neuroprotective roles upon directly binding, to interact with α7nAChR. METHODS: The protein-ligand docking server of CABS-DOCK was employed to obtain the α7nAChR-Aßx complexes. Only the top α7nAChR-Aßx complexes were used to perform all-atom GROMACS dynamics simulation in combination with Charmm36 force field, by which α7nAChR-Aßx interactions' dynamic behavior and specific locations of these different Aßx fragments were identified. MM-PBSA calculations were also done to estimate the binding free energies and the different contributions from the residues in the Aßx. Two distinct results for the first three and fourth Aßx fragments in binding site, strength, key residue, and orientation, account for why the fourth fails to play a neuroprotective role at the molecular level.

Complexity measures reveal age-dependent changes in electroencephalogram during working memory task.

The alterations in electroencephalogram (EEG) signals are the complex outputs of functional factors, such as normal physiological aging, pathological process, which results in further cognitive decline. It is not clear that when brain aging initiates, but elderly people are vulnerable to be incipient of neurodegenerative diseases such as Alzheimer's disease. The EEG signals were recorded from 20 healthy middle age and 20 healthy elderly subjects while performing a working memory task. Higuchi's fractal dimension (HFD), Katz's fractal dimension (KFD), sample entropy and three Hjorth parameters were extracted to analyse the complexity of EEG signals. Four machine learning classifiers, multilayer perceptron (MLP), support vector machine (SVM), K-nearest neighbour (KNN), and logistic model tree (LMT) were employed to distinguish the EEG signals of middle age and elderly age groups. HFD, KFD and Hjorth complexity were found significantly correlated with age. MLP achieved the highest overall accuracy of 93.75%. For posterior region, the maximum accuracy of 92.50% was achieved using MLP. Since fractal dimension associated with the complexity of EEG signals, HFD, KFD and Hjorth complexity demonstrated the decreased complexity from middle age to elderly groups. The complexity features appear to be more appropriate indicators of monitoring EEG signal complexity in healthy aging.

Acute pancreatitis with chylous ascites mimicking acute appendicitis: A rare case report.

INTRODUCTION AND IMPORTANCE: Chylous ascites, characterized by the accumulation of lymphatic fluid in the peritoneal cavity, presents a significant diagnostic and management challenge, particularly in resource-limited settings. CASE PRESENTATION: We report a case of a 63-year-old female with acute abdominal pain who was initially diagnosed with acute perforated appendicitis. During open surgery, Chylous ascites was found with normal appendix and bulky pancrease with surrounding fluid accumulation. Drain was placed in lesser sac area and appendectomy was performed with drain placed in right iliac fossa. Recovery was uneventful. CLINICAL DISCUSSION: Chylous ascites can be challenging to diagnose, especially in resource-limited settings. Laboratory analysis and imaging studies play a critical role in establishing the diagnosis, while conservative measures and invasive interventions, if necessary, comprise the treatment strategy. CONCLUSION: Our case highlights the importance of considering chylous ascites as a potential differential diagnosis in acute abdomen cases. Accurate diagnosis and management can be particularly challenging in resource-limited settings, and increased awareness among clinicians and further research is necessary to improve outcomes for patients.

Exome sequencing identifies a novel pathogenic variant in RAB3GAP1 causing Warburg Micro syndrome in a Pakistani family.

BACKGROUND: Warburg Micro (WARBM) syndrome is a rare heterogeneous recessive genetic disorder characterized by ocular, neurological, and endocrine problems. To date, disease-causing variants in four genes have been identified to cause this syndrome; of these, RAB3GAP1 variants are the most frequent. Very little is known about WARBM syndrome in rural populations. OBJECTIVES: This study aims to investigate the genetics underpinnings of WARBM syndrome in a Pashtun family with two patients from Pakistan. The patients presented with spastic diplegia, severe intellectual disability, microphthalmia, microcornea, congenital cataracts, optic atrophy, and hypogonadism. METHODS: Magnetic resonance imaging (MRI) analysis revealed pronounced cerebral atrophy including corpus callosum hypoplasia and polymicrogyria. Exome sequencing and subsequent filtering identified a novel homozygous missense variant NM_001172435: c.2891A>G, p.Gln964Arg in the RAB3GAP1 gene. The variant was validated, and its segregation confirmed, by Sanger sequencing. RESULTS: Multiple prediction tools assess this variant to be damaging, and structural analysis of the protein shows that the mutant amino acid residue affects polar contact with the neighboring atoms. It is extremely rare and is absent in all the public databases. Taken together, these observations suggest that this variant underlies Micro syndrome in our family and is extremely important for management and family planning. CONCLUSIONS: Identification of this extremely rare variant extends the mutations spectrum of Micro syndrome. Screening more families, especially in underrepresented populations, will help unveil the mutation spectrum underlying this syndrome.

Efficient side-chain engineering of thieno-imidazole salt-based molecule to boost the optoelectronic attributes of organic solar cells: A DFT approach.

This study focused on modeling and density functional theory (DFT) analysis of reference (AI1) and designed structures (AI11-AI15), based on the thieno-imidazole core, in order to create profitable candidates for solar cells. All the optoelectronic properties of the molecular geometries were computed using DFT and time dependent-DFT approaches. The influence of terminal acceptors on the bandgaps, absorption, hole and electron mobilities, charge transfer capabilities, fill factor, dipole moment, etc. Of the recently designed structures (AI11-AI15), as well as reference (AI1), were evaluated. Optoelectronics and chemical parameters of newly architecture geometries were shown to be superior to the cited molecule. The FMOs and DOS graphs also demonstrated that the linked acceptors remarkably improved the dispersion of charge density in the geometries under study, particularly in AI11 and AI14. Calculated values of binding energy and chemical potential confirmed the thermal stability of the molecules. All the derived geometries surpassed the AI1 (Reference) molecule in terms of maximum absorbance ranging from 492 to 532 nm (in chlorobenzene solvent) and a narrower bandgap ranging from 1.76 to 1.99eV. AI15 had the lowest exciton dissociation energy of 0.22eV as well as lowest electrons and hole dissociation energies, while AI11 and AI14 showed highest VOC, fill factor, power conversion efficiency (PCE), IP and EA (owing to presence of strong electron pulling cyano (CN) moieties at their acceptor portions and extended conjugation) than all the examined molecules, implying that they could be used to build elite solar cells with enhanced photovoltaic attributes.

Boosting of Magnetic, Ferroelectric, Energy Storage Efficiency, and Piezoelectric Properties of Zn Intercalated SrBi4Ti4O15-Based Ceramics.

An appropriate amount of Zn-ions are incorporated into the high Curie temperature bismuth layer-structure ferroelectric material to fabricate Sr0.2Na0.4Pr0.4Bi4Ti4O15:xwt%ZnO; (SNPBT:xZn), with x = 0, 0.10, 0.15, and 0.20 ceramic series to investigate the magnetic, ferroelectric, and energy storage efficiency and piezoelectric properties. Pure SNPBT and SNPBT:xZn ceramics have maintained their structure even after the intercalation of Zn-ions at the lattice sites of SNPBT. The addition of ZnO in SNPBT has improved the multifunctional properties of the material at x = 0.15. At room temperature, SNPBT:0.15Zn has shown a high relative density of 96%, exhibited weak ferromagnetic behavior along with a low saturation magnetization (Ms) of 0.028 emu/g with a low coercive field of 306 Oe, a high remnant polarization (Pr) of 9.04 µC/cm2, a recoverable energy density (Wrec) of ~0.5 J/cm3, an energy conversion efficiency (η) of ~41%, a high piezoelectric co-efficient (d33) of 21 pC/N, and an impedance of 1.98 × 107 Ω, which are much improved as compared to pure SBT or pure SNPBT ceramics. Dielectric Constant (ɛr) versus temperature plots present the sharp peak for SNPBT:0.15Zn ceramic at a Curie temperature (TC) ~ 605 °C, confirming the strong ferroelectric nature of the ceramic. Moreover, SNPBT:0.15Zn ceramic has shown strong, piezoelectric, thermally stable behavior, which remains at 76% (16 pC/N) of its initial value even after annealing at 500 °C. The achieved results clearly indicate that SNPBT:0.15Zn ceramic is a promising candidate for future wide-temperature pulse power applications and high-temperature piezoelectric devices.

Investigating Inclusive Leadership and Pro-Social Rule Breaking in Hospitality Industry: Important Role of Psychological Safety and Leadership Identification.

This study aims to empirically examine the mediating effects of psychological safety and leadership identification on the relationship between inclusive leadership and pro-social rule breaking among hospitality employees. This study analyzes the survey data collected in three waves from 589 employees working in different hotels and restaurants operating in the Northern areas of Khyber Pakhtunkhwa, Pakistan. The scale validity, composite reliability, and hypotheses were assessed through PLS-SEM. The study found that inclusive leadership significantly impacts employees' pro-social rule-breaking. The study also found that leadership identification and psychological safety partially mediate the relationship between inclusive leadership and pro-social rule-breaking. Hospitality leaders can practice inclusive leadership characteristics because it may significantly enhance employee engagement in pro-social rule-breaking. Through their inclusive features, hospitality leaders can improve employees' psychological safety and leadership identification, enhancing frontline employees' pro-social rule-breaking.

Interest rate volatility and financing of Islamic banks.

Despite a direct ban on charging interest, interest-based benchmarks are used as a pricing reference by a majority of Islamic banks, due in part to the absence of stable and widely- published alternatives. Benchmarking interest rate exposes Islamic banks to the problems of conventional banks, particularly the interest rate risk. Against this backdrop, the present study empirically examines the dynamic linkage between the interest rate volatility and the financing of Islamic banks. The empirical analysis is carried using evidence from the Islamic banking industry of Pakistan during the time period 2006-2020. The multivariate Johansen and Jusiles Co-integration test and Vector Error Correction Model (VECM) are used as the baseline econometric models. Moreover, the DCC-GARCH model is employed for robustness and ensuring the consistency of results. The results indicate that a significant long-term and short-term relationship exists between the interest rate volatility and the financing of Islamic banking industry providing significant evidence for co-movements and convergence. These findings suggest that paradoxical as it may seem, the financing of Islamic banks operating within a dual banking system is subject to interest rate risk, mainly due to benchmarking interest rate, which in-turn makes Islamic banks vulnerable to the rate of return risk and withdrawal risk. Moreover, corporate financing, in particular, is more vulnerable to interest rate risk.

Oral Immunization of Chickens with Probiotic Lactobacillus crispatus Constitutively Expressing the α-ß2-ε-ß1 Toxoids to Induce Protective Immunity.

Clostridium perfringens (C. perfringens) is a bacterium that commonly causes zoonotic disease. The pathogenicity of C. perfringens is a result of the combined action of α, ß, and ε exotoxins. In this study, Lactobacillus crispatus (pPG-T7g10/L. crispatus) expressing the main toxoids of C. perfringens, α, ε, ß1, and ß2, with EGFP-labeling, was constructed, and the protective effect was estimated in chickens. The α-ß2-ε-ß1 toxoid was constitutively expressed for confirmation by laser confocal microscopy and western blotting, and its immunogenicity was analyzed by enzyme-linked immunosorbent assay (ELISA) and immunohistochemical assays. After booster immunization, the probiotic vaccine group showed significantly higher levels (p < 0.05) of specific secretory IgA (sIgA) and IgY antibodies in the serum and intestinal mucus. Furthermore, the levels of cytokines, including interferon (IFN)-γ, interleukin (lL)-2, IL-4, IL-10, IL-12, and IL-17, and the proliferation of spleen lymphocytes in chickens orally immunized with pPG-E-α-ß2-ε-ß1/L. crispatus increased significantly. Histopathological observations showed that the intestinal pathological changes in chickens immunized with pPG-E-α-ß2ε-ß1/L. crispatus were significantly alleviated. These data reveal that the probiotic vaccine could stimulate mucosal, cellular, and humoral immunity and provide an active defense against the toxins of C. perfringens, suggesting a promising candidate for oral vaccines against C. perfringens.

Outcomes of anterior vs. posterior approach to single-level lumbar spinal fusion with interbody device: An analysis of the nationwide inpatient sample.

BACKGROUND: Interbody devices have revolutionized lumbar spinal fusion surgery by improving mechanical stability and maximizing fusion potential. Several approaches for interbody fusion exist with two of the most common being anterior lumbar interbody fusion (ALIF) and posterior lumbar interbody fusion (PLIF). This study aims to compare patient data, hospital outcomes, and post-operative complications between an anterior vs. posterior approach to lumbar interbody fusion. METHODS: This retrospective cohort study utilized the Nationwide Inpatient Sample (NIS) and International Classification of Diseases, 10th edition (ICD10) codes to identify patients (18 +) from 2016 to 2018 who underwent lumbar interbody fusion under an anterior or posterior approach. Patients missing identifiers were excluded from this study. Patients were further investigated by demographic data and the presence of comorbidities. Hospital outcome data was investigated by length of stay (LOS), total hospital charges, mortality, and post-operative complications. RESULTS: 373,585 patients were included in this study. 257,975 (69%) underwent fusion via a posterior approach, and 115,610 (31%) via an anterior approach. Patients undergoing posterior approach were found to have a greater number of comorbidities than anterior (3.5 vs. 2, respectively, p = <0.001). The posterior approach was associated with decreased LOS (3.59 vs 4.19 days, p = <0.0001) and decreased total hospital charges ($141,700 vs $211,015, p = <0.0001). A posterior approach was found to have lower rates of post-operative complications. For the anterior approach cohort, tobacco dependence (OR=1.31 [1.20-1.42, p = <0.001], diabetes (OR=2.41 [2.33-2.49, p = <0.001], and osteoporosis (OR=1.42 [1.30-1.54, p = <0.001] were found to be significant independent predictors of post-operative pseudoarthrosis. Obesity (OR=1.28 [1.14-1.42, p = <0.001], tobacco dependence (OR=1.48 [1.40-1.56, p = <0.001], diabetes (OR=2.21 [2.10-2.32, p = <0.001], congestive heart failure (OR=1.20 [1.01-1.39, p = 0.04], and osteoporosis (OR=1.65 [1.55-1.75, p = <0.001], were found to be independent predictors of post-operative pseudoarthrosis in the posterior cohort. CONCLUSIONS: Patients who underwent the anterior approach suffered from increased hospital charges, length of stay, and increased risk of post-operative complications including mortality, wound dehiscence, hematoma/seroma, and pseudoarthrosis. Comorbid disease plays a significant role in the outcome of successful fusion with variable effect depending on the surgical approach. Increasing due diligence in patient selection should be considered when choosing an approach in pre-operative planning.

Fiscal policy and environment: a long-run multivariate empirical analysis of ecological footprint in Pakistan.

The ecological footprint attempts to quantify human impact on nature and its resources necessary to satisfy human needs. This research study explores the long-run implications of fiscal policy on the ecological footprint in Pakistan empirically, keeping different socio-economic factors into consideration. Per annum, time series data have been collected between 1976 and 2018, and the ARDL model is applied to investigate this long-run and short-run association. The conclusion of ARDL model shows that a 1% increase in public development expenditures, total population, GDP, and energy consumption increase 0.19, 2.17, 1.16, and 2.17% ecological footprint, respectively, in Pakistan between 1976 and 2018 vice versa. However, it is also derived that a 1% increase in public tax and non-tax revenue and current public expenditures (in health, education, and other social sectors) shrink 0.36 and 0.013% ecological footprint in the long run in Pakistan. For policy implications, these results focus on practical fiscal policy significance to achieve environmental targets in Pakistan, suggesting an increase in public current expenditures in public and social sectors and increasing public revenue by expanding the tax base, which will ultimately reduce ecological footprint in the long run in Pakistan.

The insole materials influence the plantar pressure distributions in diabetic foot with neuropathy during different walking activities.

BACKGROUND: Abnormal peak plantar pressure in neuropathic diabetic foot during walking activities is well managed through the use of appropriate design and material selection for the fabrication of custom made insoles (CMI). The redistribution of plantar pressure is possible by selecting an appropriate material for the fabrication of CMI. The walking activities may alter the plantar pressure distribution; which may differ while using CMI with different materials. OBJECTIVE: The objective of the study was to evaluate the effectiveness of CMI's materials on plantar pressure distribution during different walking activities, in diabetic feet with neuropathy. METHODS: The study was conducted on sixteen diabetic neuropathic subjects. The subjects were provided with two types of CMI; CMI-A (Plastazote® and microcellular rubber) and CMI-B (Multifoam, Plastazote® and microcellular rubber). Maximum peak plantar pressure and plantar pressure distribution were determined by Pedar-X® sensor insole during level walking, ramp walking and stair walking. RESULTS: The CMI-B lessened the maximum peak plantar pressure from the forefoot throughout the walking activities compared to CMI-A. The contact area was observed as lower using CMI-A compared to CMI-B, while performing walking activities. CONCLUSION: CMI-B, with multifoam as an additional top layer, provided more effective peak plantar pressure reduction at forefoot and it had better plantar pressure distribution compared to CMI-A during level walking and ramp ascending in diabetic foot with neuropathy.

Effectiveness of Total Contact Orthosis for Plantar Pressure Redistribution in Neuropathic Diabetic Patients During Different Walking Activities.

BACKGROUND: Using a total contact orthosis (TCO) is an effective method to offload in diabetic patients with foot neuropathy. However, the redistribution of peak plantar pressure is mostly observed during level walking, which may differ from other walking activities. The aim of this study was to investigate the plantar pressure from 4 regions of the foot during different walking activities (level walking, ramp ascending, ramp descending, stair ascending, and stair descending) in neuropathic diabetic patients with and without a TCO. METHODS: Sixteen neuropathic diabetic patients aged 40 to 60 years with calluses and hallux valgus were included in this study and were provided with TCOs made up of multifoam, Plastazote, and microcellular rubber. The plantar pressure and contact area with the TCO and without the TCO were recorded using the Pedar X system during different walking activities. RESULTS: A significant reduction of plantar pressure during different walking activities at the toes and forefoot regions was observed while walking with the TCO compared with walking without the TCO (control condition). Plantar pressure increased at the midfoot region when walking with the TCO, and no significant difference was observed at the hindfoot region between the control and TCO conditions. Furthermore, maximum contact area was observed during level walking with the TCO compared with other walking activities. CONCLUSION: The TCO significantly reduced and redistributed the peak plantar pressure from the sites where the ulceration rate is higher at the toes and forefoot compared with the other regions of the foot. LEVEL OF EVIDENCE: Therapeutic level II, lesser quality randomized controlled trial.

Ultrathin Terahertz Quarter-wave plate based on Split Ring Resonator and Wire Grating hybrid Metasurface.

Planar metasurface based quarter-wave plates offer various advantages over conventional waveplates in terms of compactness, flexibility and simple fabrication; however they offer very narrow bandwidth of operation. Here, we demonstrate a planar terahertz (THz) metasurface capable of linear to circular polarization conversion and vice versa in a wide frequency range. The proposed metasurface is based on horizontally connected split ring resonators and is realized on an ultrathin (0.05λ) zeonor substrate. The fabricated quarter waveplate realizes linear to circular polarization conversion in two broad frequency bands comprising 0.64-0.82 THz and 0.96-1.3 THz with an insertion loss ranging from -3.9 to -10 dB. By virtue of ultrathin sub wavelength thickness, the proposed waveplate design is well suited for application in near field THz optical systems. Additionally, the proposed metasurface design offers novel transmission phase characteristics that present further opportunities to realize dynamic polarization control of incident waves.

Terahertz Modulator based on Metamaterials integrated with Metal-Semiconductor-Metal Varactors.

The terahertz (THz) band of the electromagnetic spectrum, with frequencies ranging from 300 GHz to 3 THz, has attracted wide interest in recent years owing to its potential applications in numerous areas. Significant progress has been made toward the development of devices capable of actively controlling terahertz waves; nonetheless, further advances in device functionality are necessary for employment of these devices in practical terahertz systems. Here, we demonstrate a low voltage, sharp switching terahertz modulator device based on metamaterials integrated with metal semiconductor metal (MSM) varactors, fabricated on an AlGaAs/InGaAs based heterostructure. By varying the applied voltage to the MSM-varactor located at the center of split ring resonator (SRR), the resonance frequency of the SRR-based metamaterial is altered. Upon varying the bias voltage from 0 V to 3 V, the resonance frequency exhibits a transition from 0.52 THz to 0.56 THz, resulting in a modulation depth of 45 percent with an insertion loss of 4.3 dB at 0.58 THz. This work demonstrates a new approach for realizing active terahertz devices with improved functionalities.