2D Janus ZrSSe/SnSSe Heterostructure: A Promising Candidate for Photocatalytic Water Splitting.

The distinctive physical characteristics and wide range of potential applications in optoelectronic and photovoltaic devices have ignited significant interest in two-dimensional materials. Intensive research attention has been focused on Janus transition metal dichalcogenides due to their unique properties resulting from symmetry disruption and their potential in photocatalysis applications. Motivated by the current fascination with Janus TMD heterostructures, we conducted first-principles calculations to examine the stability, electronic, and optical properties of monolayers consisting of ZrSSe, SnSSe, and the ZrSSe/SnSSe heterostructure. The results indicate that the Janus ZrSSe/SnSSe heterostructure exhibits a structural and mechanical stability. Using the HSE06 functional, the ZrSSe/SnSSe heterostructure shows an indirect band gap of 1.20 eV, and band edge analysis reveals a type-II band alignment. The potential for photo/electrocatalysis in the ZrSSe/SnSSe heterostructure for water splitting or generating reactive oxygen species (ROS) has been explored, and it was found that the oxygen evolution reaction (OER) can spontaneously activate in acidic (pH = 0) media under light irradiation, with a potential of U = 1.82 eV. Additionally, the ZrSSe/SnSSe heterostructure exhibits strong light absorption across a wide range, from visible light to the ultraviolet region, at various levels. These findings open up possibilities for the application of ZrSSe/SnSSe-based materials in optoelectronic devices.

New ridge parameter estimators for the quasi-Poisson ridge regression model.

The quasi-Poisson regression model is used for count data and is preferred over the Poisson regression model in the case of over-dispersed count data. The quasi-likelihood estimator is used to estimate the regression coefficients of the quasi-Poisson regression model. The quasi-likelihood estimator gives sub-optimal estimates if regressors are highly correlated-multicollinearity issue. Biased estimation methods are often used to overcome the multicollinearity issue in the regression model. In this study, we explore the ridge estimator for the quasi-Poisson regression model to mitigate the multicollinearity issue. Furthermore, we propose various ridge parameter estimators for this model. We derive the theoretical properties of the ridge estimator and compare its performance with the quasi-likelihood estimator in terms of matrix and scalar mean squared error. We further compared the proposed estimator numerically through a Monte Carlo simulation study and a real-life application. We found that both the simulation and application results show the superiority of the ridge estimator, particularly with the best ridge parameter estimator, over the quasi-likelihood estimator in the presence of multicollinearity issue.

Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations.

Equilibrium molecular dynamics (EMD) simulations have been performed to investigate the structural analysis and thermal conductivity (λ) of semiconducting (8,0) and metallic (12,0) zigzag single-walled carbon nanotubes (SWCNTs) for varying ±Î³(%) strains. For the first time, the present outcomes provide valuable insights into the relationship between the structural properties of zigzag SWCNTs and corresponding thermal behavior, which is essential for the development of high-performance nanocomposites. The radial distribution function (RDF) has been employed to assess the buckling and deformation understandings of the (8,0) and (12,0) SWCNTs for a wide range of temperature T(K) and varying ±Î³(%) strains. The visualization of SWCNTs shows that the earlier buckling and deformation processes are observed for semiconducting SWCNTs as compared to metallic SWCNTs for high T(K) and it also evident through an abrupt increase in RDF peaks. The RDF and visualization analyses demonstrate that the (8,0) SWCNTs can more tunable under compressive than tensile strains, however, the (12,0) zigzag SWCNTs indicate an opposite trend and may tolerate more tensile than compressive strains. Investigations show that the tunable domain of ±Î³(%) strains decreases from (-10%≤ γ ≤+19%) to (-5%≤ γ ≤+10%) for (8,0) SWCNTs and the buckling process shifts to lower ±Î³(%) for (12,0) SWCNTs with increasing T(K). For intermediate-high T(K), the λ(T) of (12,0) SWCNTs is high but the (8,0) SWCNTs show certainly high λ(T) for low T(K). The present λ(T, ±Î³) data are in reasonable agreement with parts of previous NEMD, GK-HNEMD data and experimental investigations with simulation results generally under predicting the λ(T, ±Î³) by the ∼1% to ∼20%, regardless of the ±Î³(%) strains, depending on T(K). Our simulation data significantly expand the strain range to -10% ≤ γ ≤ +19% for both zigzag SWCNTs, depending on temperature T(K). This extension of the range aims to establish a tunable regime and delve into the intrinsic characteristics of zigzag SWCNTs, building upon previous work.

Enhancing Electrochemical Performance of Aluminum-Oxygen Batteries with Graphene Aerogel Cathode.

Aluminum-oxygen batteries (AOBs) own the benefits of high energy density (8.14 kWh kg-1 ), low cost, and high safety. However, the design of a cathode with high surface area, structure integrity, and good catalytic performance is still challenging for rechargeable AOBs. Herein, the fabrication of a robust self-supporting cathode using 3D graphene aerogel (3DGA) for rechargeable AOBs is demonstrated. Electroanalysis showed that the 3DGA presented good catalytic activity in both oxygen reduction and evolution reactions, which allowed the AOB to operate for >90 cycles with low overpotentials at a current density of 0.2 mA cm-2 , and a high Coulombic efficiency of ca. 99% using ionic liquid as electrolyte. In comparison, the cell with the carbon paper cathode can only cycle for 50 rounds. The excellent cyclic performance can be attributed to the porous structure, large surface area, good electric conductivity, and catalytic activity of the 3DGA, which is prospective to be applied for other metal-air batteries, fuel cells, and supercapacitors.

Unraveling the Transport Properties of RONS across Nitro-Oxidized Membranes.

The potential of cold atmospheric plasma (CAP) in biomedical applications has received significant interest, due to its ability to generate reactive oxygen and nitrogen species (RONS). Upon exposure to living cells, CAP triggers alterations in various cellular components, such as the cell membrane. However, the permeation of RONS across nitrated and oxidized membranes remains understudied. To address this gap, we conducted molecular dynamics simulations, to investigate the permeation capabilities of RONS across modified cell membranes. This computational study investigated the translocation processes of less hydrophilic and hydrophilic RONS across the phospholipid bilayer (PLB), with various degrees of oxidation and nitration, and elucidated the impact of RONS on PLB permeability. The simulation results showed that less hydrophilic species, i.e., NO, NO2, N2O4, and O3, have a higher penetration ability through nitro-oxidized PLB compared to hydrophilic RONS, i.e., HNO3, s-cis-HONO, s-trans-HONO, H2O2, HO2, and OH. In particular, nitro-oxidation of PLB, induced by, e.g., cold atmospheric plasma, has minimal impact on the penetration of free energy barriers of less hydrophilic species, while it lowers these barriers for hydrophilic RONS, thereby enhancing their translocation across nitro-oxidized PLB. This research contributes to a better understanding of the translocation abilities of RONS in the field of plasma biomedical applications and highlights the need for further analysis of their role in intracellular signaling pathways.

An interesting case of chronic myeloid leukemia (CML) with T315I mutation raising suspicion of de novo AML, a diagnostic conundrum.

Chronic myeloid leukemia (CML) is a myeloproliferative disorder due to translocation between chromosomes (9, 22), known as the "Philadelphia chromosome." In 2016, the World health organization (WHO) introduced a new clinical entity of de novo acute myeloid leukemia (AML). Both diseases share some commonalities, therefore, create a challenge to diagnose.

Constrictive Pericarditis from an Atraumatic Hemopericardium After Systemic Thrombolysis for a Massive Pulmonary Embolism.

Constrictive pericarditis most commonly results from fibrosis and adhesions of the parietal and visceral pericardium due to long-standing inflammation. Common etiologies include idiopathic, post-surgical, radiation injury and infectious etiologies including tuberculosis. Traumatic hemopericardium is a rare cause of constrictive pericarditis but atraumatic hemopericardium causing constrictive pericarditis has not been reported in the literature to date. We present a case of constrictive pericarditis from an atraumatic hemopericardium after systemic thrombolysis for a massive pulmonary embolism.

Synthesis of nickel nanowires (Ni-NWs) as high ferromagnetic material by electrodeposition technique.

Metallic nanowires (NWs) and their different compounds display incredible prospects for their use in various applications including media storage, sensor and solar cell devices along with the biological drug delivery systems. In this research work, the metallic NWs like nickel nanowires (Ni-NWs) are synthesized successfully by employing electrodeposition process. Anodic aluminum oxide (AAO) templates are employed as a platform with copper metal coating which acts as an active cathode. The synthesized Ni-NWs are examined through various characterization techniques including X-ray diffraction (XRD), scanning electron microscope (SEM) and vibrating sample magnetometer (VSM) to study the crystal structure, surface morphology and magnetic properties, respectively. The XRD analysis shows the development of various diffraction planes like Ni (111), Ni (200), Ni (220) which confirms the formation of polycrystalline nickel NWs. The SEM analysis reveals that the range of diameter and length of nickel NWs are found to be ∼160 to 200 and ∼4 to 11 micron respectively showing high aspect ratio (ranged from ∼200 to 300). The ferromagnetic behavior of Ni-NWs is confirmed by the hysteresis loop carried out for parallel and perpendicular configurations having Hc = 100 and 206 Oe, respectively. The obtained results suggest that the synthesized Ni- NWs may be used for high-density media storage devices.

Clinical Characteristics and Outcomes of Patients With Antithyroid Drug-Related Liver Injury.

Context: Antithyroid drugs (ATDs) are the cornerstone of hyperthyroidism management. Hepatotoxicity due to ATDs can range from mild transaminase elevation to liver transplantation requirement and mortality. Objective: The primary objective of the systematic review was to assess the clinical characteristics and outcomes of patients with drug induced liver injury (DILI) due to ATDs. Methods: We conducted a systematic review of PUBMED, SCOPUS, and EMBASE on characteristics and outcomes of adults (>18 years) with DILI due to ATDs. We defined DILI as bilirubin ≥2.5 mg/dL or international normalized ratio >1.5 with any rise in alanine aminotransferase (ALT), aminotransferase (AST), or alkaline phosphatase (ALP), or an elevation of ALT or AST >5 times or ALP >2 times the upper limit of normal without jaundice/coagulopathy. Results: The review included 100 articles describing 271 patients; 148 (70.8%) were female (N = 209). Mean age was 42.9 ± 17.2 years. Graves' disease was the most common indication for ATDs. Carbimazole/methimazole (CBM/MMI) was the most common offending agent (55.7%). DILI pattern was hepatocellular in 41.8%, cholestatic in 41.3%, and mixed in 16.9%. Outcomes included death in 11.8%, liver transplantation in 6.4%, partial improvement in 2.2%, and complete resolution in 79.6% with a median time (IQR) to resolution of 45 (20-90) days. Patients in the propylthiouracil (PTU) group had higher initial bilirubin, initial AST, initial ALT, peak ALT, peak AST, severe and fatal DILI, liver transplantation, and mortality than CBM/MMI. Rechallenge of antithyroid medication was infrequently reported (n = 16) but was successful in 75%. Conclusion: DILI due to ATDs can present with different patterns and should prompt immediate drug discontinuation. Referral to a hepatologist should be considered if severe as transplantation is sometimes required. PTU-induced DILI may have worse outcomes than CBM/MMI.

Diffusion coefficients of electrorheological complex (dusty) plasmas.

Equilibrium molecular dynamics (EMD) simulations have been executed to investigate the parallel (D║) and perpendicular (D┴) diffusion coefficients for three-dimensional (3D) strongly coupled (SC) electrorheological complex (dusty) plasmas (ERCPs). The effects of uniaxial (z-axis) AC electric field (MT) on dust grains have been investigated along with various combinations of plasma parameters (Γ, κ). The new outcomes obtained by mean squared displacement of Einstein relation show diffusion coefficients for low-intermediate to high plasma couplings (Γ) for varying MT. The D║ and D┴ at MT = 0.01 agree well with earlier available data obtained from the Green-Kubo and Einstein relation for 3D SC-Yukawa systems. The simulation data show that D║ increased with an increase in moderate MT strength and that D┴ decreased for the intermediate to large MT strength. Both (D║ and D┴) remained nearly constant for low MT values. The investigations show that the current EMD scheme is more efficient for nonideal gas-like, liquid-like, and solid-like states of SC-ERCPs. It has been demonstrated that present simulation outcomes extended the MT range up to 0.01 ≤ MT ≤ 10 to understand the diffusive and rheological behaviors of dusty plasma systems.

Tuning the Electronic and Optical Properties of the ZrS2/PtS2 van der Waals Heterostructure by an External Electric Field and Vertical Strain.

Two-dimensional (2D) material-based heterostructures gain increasing interest due to their extraordinary properties and excellent potential for the optoelectronic devices. This study deals with modulation of electronic and optical properties of the ZrS2/PtS2 van der Waals heterostructure under vertical strain and an external electric field based on first principles calculation. Different stacking of ZrS2 and PtS2 layers are considered for the heterostructure formation and the most stable structure with lowest binding energy is selected for further calculations. The stable ZrS2/PtS2 heterostructure shows an indirect band gap of 0.74 eV, which is smaller than that of both ZrS2 and PtS2 monolayers. With the applied external electric field, the band gap value of the ZrS2/PtS2 heterostructure increases with the negative electric field and decreases with the positive electric field. It is observed that the indirect-to-direct band gap transition occurs when the highest negative value of the electric field is applied. In the case of vertical strain applied to the heterostructure, with an increase in compressive strain, the band gap decreases and vice versa for tensile strain. Optical absorption spectra show significant absorption in the visible light region to the ultraviolet light region. This study shows that the electronic and optical properties of ZrS2/PtS2 heterostructures can be modulated by using vertical strains and an external electric field.

Enabling Fog-Blockchain Computing for Autonomous-Vehicle-Parking System: A Solution to Reinforce IoT-Cloud Platform for Future Smart Parking.

With the advent of modern technologies, including the IoT and blockchain, smart-parking (SP) systems are becoming smarter and smarter. Similar to other automated systems, and particularly those that require automation or minimal interaction with humans, the SP system is heuristic in delivering performances, such as throughput in terms of latency, efficiency, privacy, and security, and it is considered a long-term cost-effective solution. This study looks ahead to future trends and developments in SP systems and presents an inclusive, long-term, effective, and well-performing smart autonomous vehicle parking (SAVP) system that explores and employs the emerging fog-computing and blockchain technologies as robust solutions to strengthen the existing collaborative IoT-cloud platform to build and manage SP systems for autonomous vehicles (AVs). In other words, the proposed SAVP system offers a smart-parking solution, both indoors and outdoors, and mainly for AVs looking for vacant parking, wherein the fog nodes act as a middleware layer that provides various parking operations closer to IoT-enabled edge devices. To address the challenges of privacy and security, a lightweight integrated blockchain and cryptography (LIBC) module is deployed, which is functional at each fog node, to authorize and grant access to the AVs in every phase of parking (e.g., from the parking entrance to the parking slot to the parking exit). A proof-of-concept implementation was conducted, wherein the overall computed results, such as the average response time, efficiency, privacy, and security, were examined as highly efficient to enable a proven SAVP system. This study also examined an innovative pace, with careful considerations to combatting the existing SP-system challenges and, therefore, to building and managing future scalable SP systems.

Enigma of categorizing COVID-19-related lung parenchymal diseases and management experience with follow-up outcomes in Qatar: a case series.

Coronavirus disease 2019 (COVID-19) has become one of the worst global pandemics in recent history. Post-COVID-19 interstitial lung disease is a significant concern in COVID-19 survivors. It is a disabling clinical condition for patients and a burden on the healthcare system. With time and subsequent waves of COVID-19 globally, the post-COVID-19 sequelae of lung diseases can be debilitating. We report cases of three patients with persistent hypoxia post-COVID-19, raising concerns for interstitial lung disease in Qatar. In this report, we shared our experience of the patient's clinical course, complications, and outcomes with post-COVID-19 sequelae of lung parenchymal disease. Patients were followed up during and after treatment until recovery or discharge from the hospital.

Permeation by Electrowetting Actuation: Revealing the Prospect of a Micro-valve Based on Ionic Liquid.

The electrowetting behavior of ionic liquid significantly promotes microfluidic technology due to the advantage of manipulation of ionic liquid without additional mechanical parts. Recently, a novel micro-valve that shows good prospects was proposed by MacArthur et al. based on the permeation of ionic liquid under electric field. Inspired by their work, the permeation process of ionic liquid (EMIM-Im) droplets actuated by electrowetting was investigated in this work using molecular dynamics simulation. The wettability of substrate, electric field strength and electric field polarity were varied to investigate their influences. On the substrate side, results showed that the hydrophilic substrates tend to stretch and adsorb the droplet and hence hinder the permeation process, whereas the hydrophobic substrates facilitate permeation due to their low attraction for liquid. Particularly, super hydrophilic substrates should be avoided in practice, because their strong adsorption effects will override the electric field effects and disable the permeation process. On the electric field side, results showed that increased electric field strength enhances the permeation, but varying electric field polarity will result in an asymmetric permeation behavior, which was found to be the result of the different evaporation rate of the ion species that ultimately caused a non-charge-neutral droplet. Our investigation then uncovered the two critical roles of the electric field: elongating the droplet and providing the driving force for the permeation.

Eclampsia and posterior reversible encephalopathy syndrome (PRES): A retrospective review of risk factors and outcomes.

Posterior reversible encephalopathy syndrome (PRES) is a clinical and radiological entity initially described in 1996. PRES frequently develops in patients with preeclampsia and eclampsia. There is not much literature on risk factors causing PRES in pregnant patients with eclampsia. This study aimed to determine the incidence of PRES in eclampsia, its association with pregnancy, risk factors, and maternal and perinatal outcomes. PATIENTS AND METHODS: All patients who were admitted with eclampsia and developed PRES in an intensive care unit of a tertiary medical facility between 1997 and 2017 were included in the study. Patients' demographics, pregnancy and gestational data, treatment mode, and outcomes were retrospectively obtained from their medical charts/files. Data were entered using SPSS program version 23. Chi-square test was used to compare the variables, and a p value of < 0.05 was considered statistically significant. RESULTS: A total of 151 patients were admitted during the study period, and 25 developed PRES. The diagnosis was common in patients older than 25 years. Eclampsia patients who developed PRES were without any pregnancy-associated comorbidities (p < 0.08). At the time of diagnosis, their gestational age was more than 36 weeks, which was significant (p < 0.04). Incidence was significantly higher in patients presenting with eclampsia and had recurrent seizures (p < 0.01 and 0.002, respectively). Its incidence was significantly higher in postpartum eclampsia patients (p < 0.01). It was also significantly higher in patients who had cesarean section and hypertension treated with labetalol (p < 0.001 and 0.02, respectively). Overall, the maternal mortality rate of eclampsia patients complicated with PRES was 4% in our population. CONCLUSION: Of eclampsia patients, 16% developed PRES, which is on the lower side than the reviewed literature (10%-90%). Eclampsia on presentation, recurrent seizures, postpartum eclampsia, cesarean delivery, and labetalol use were associated with increased risk of PRES development.

Invasive Klebsiella pneumoniae Syndrome in Qatar: A Case Report.

Klebsiella pneumoniae (K. pneumoniae) is a Gram-negative bacteria that can infect most of the body's organs, from the lungs to the central nervous system. It is notorious for causing pneumonia in alcoholic, diabetic, and hospitalized patients. It is now emerging as a cause of abscesses involving multiple organs. Invasive K. pneumoniae is most commonly observed in the Asian population but has been reported in other geographical areas as well. We present a case of invasive K. pneumoniae. The patient was initially admitted with diabetic ketoacidosis (DKA); further investigations showed multiple abscesses involving the liver, lungs, brain, and muscles. K. pneumoniae was identified in blood and liver abscess cultures. The patient was managed for DKA as per protocol, and was administered broad-spectrum antibiotics with percutaneous drainage of liver abscess for invasive K. pneumoniae syndrome. In this paper, we highlight the invasive nature of K. pneumoniae, which may aid clinicians in diagnosing and managing similar cases, thereby preventing the associated high morbidity and mortality.

Correction to a novel framework for rapid diagnosis of COVID-19 on computed tomography scans.

[This corrects the article DOI: 10.1007/s10044-020-00950-0.].

The Role of Anticoagulation in Post-COVID-19 Concomitant Stroke, Myocardial Infarction, and Left Ventricular Thrombus: A Case Report.

BACKGROUND Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) primarily affects the lungs but can involve any organ. The medical community is struggling to cope with the critical illness associated with the disease. On top of that, patients who have recovered from COVID-19 have presented with complications such as thrombotic episodes in various organs both during and after being infected with SARS-CoV-2. A COVID-19-associated prothrombotic state has been mentioned in multiple recent research articles. The role of anticoagulants is debatable, because even after receiving them prophylactically, many patients have experienced thrombotic episodes. The situation, therefore, represents a challenge to the medical community. CASE REPORT We report on a COVID-19-associated prothrombotic state in a 65-year-old man with no history of comorbid illness. Initially, he presented with right-sided weakness and was found to have had an acute ischemic stroke. Urgent imaging after the stroke revealed changes on electrocardiography that were remarkable for left bundle branch block. The patient's elevated cardiac enzyme levels correlated with a silent acute myocardial infarction (MI). His echocardiogram revealed a left ventricular (LV) thrombus. He was managed with a multidisciplinary approach involving Neurology, Cardiology, and Medicine. CONCLUSIONS COVID-19-associated prothrombotic episodes involving arterial and venous systems have been reported in the literature. But concomitant stroke, acute MI, and LV thrombus rarely have been documented. The role of prophylactic or therapeutic anticoagulation is still unclear because even when patients are on these drugs, they continue to develop thrombotic episodes. Indeed, further studies are required to develop a standard management plan for what can be a fatal situation.

A novel framework for rapid diagnosis of COVID-19 on computed tomography scans.

Since the emergence of COVID-19, thousands of people undergo chest X-ray and computed tomography scan for its screening on everyday basis. This has increased the workload on radiologists, and a number of cases are in backlog. This is not only the case for COVID-19, but for the other abnormalities needing radiological diagnosis as well. In this work, we present an automated technique for rapid diagnosis of COVID-19 on computed tomography images. The proposed technique consists of four primary steps: (1) data collection and normalization, (2) extraction of the relevant features, (3) selection of the most optimal features and (4) feature classification. In the data collection step, we collect data for several patients from a public domain website, and perform preprocessing, which includes image resizing. In the successive step, we apply discrete wavelet transform and extended segmentation-based fractal texture analysis methods for extracting the relevant features. This is followed by application of an entropy controlled genetic algorithm for selection of the best features from each feature type, which are combined using a serial approach. In the final phase, the best features are subjected to various classifiers for the diagnosis. The proposed framework, when augmented with the Naive Bayes classifier, yields the best accuracy of 92.6%. The simulation results are supported by a detailed statistical analysis as a proof of concept.

Immune thrombocytopenia associated with tuberculosis - A case report.

Tuberculosis can involve the hematological system and cause anemia, leucopenia, leukocytosis, thrombocytopenia, and thrombocytosis. Immune thrombocytopenia related to tuberculosis is rare. We present a case of a 54 years old male patient who was evaluated for isolated asymptomatic thrombocytopenia discovered on routine laboratory investigations. Work up was positive for disseminated tuberculosis. The patient responded to a tapering dose of steroids and anti-tuberculous medications with significant and persistent platelet count improvement.