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Orthorhombic oxide perovskite compounds are very promising materials for the applications of optoelectronics and thermal barrier coating.

ZnO nanomaterials and nanoparticles are a burgeoning field of research and a rapidly expanding technological sector in a wide variety of application domains.

Wide bandgap semiconductors are very interesting due to their high frequency applications. Perovskite have proved to be most stable structures useful for many applications e.g. Solar cells, detectors etc. The current work is based on the prediction of two new competitors (InXF3 (X= Be and Sr)) for the use in high frequency applications. The modelling and simulations were performed by adopting state of the art packages; WIEN2k and BoltzTrap2. The most accurate and precise exchange-correlation of TB-mBJ (Trans and Blaha modified Becke-Johnson) potential interfaced within wien2k is utilized for obtaining better results. The results showed that the selected compounds possess a cubic crystal structure with a space group of Pm-3m (#221). The Goldschmidt's tolerance factor (τ) is determined and is found to be 0.96 for InBeF3 and 0.92 for InSrF3 which indicates the stability of the compounds in cubic phase. The unit cell crystal structural optimization is done to evaluate the ground state lattice parameters. The direct band gap of 2.23 eV and 3.58 eV from (X-X) exists for InBeF3 and InSrF3 compounds respectively. The optical properties are computed and analyzed from the optical dielectric function for both the compounds within the energy range of 0 eV to 40 eV and the results depict that these materials are more sensitive at higher energy range, possess high absorption and optical conductivity in good agreement with electronic band structure. Mechanically these compounds are stable, ductile, anisotropic, and hard to scratch. The thermoelectric properties are evaluated for InXF3 (X= Be and Sr) compounds up to a temperature range of 1000 K. This work can open new opportunities for further exploration in this field.

(a) dielectric constant, (b) dielectric loss and (c) AC conductivity vs. frequency for un-doped and 5 at% Co-doped TiO2 NPs.

The structure parameters of the synthesize ZnO, Zn0.96Gd0.04O and Zn0.96−xGd0.04CoxO (Co = 0, 0.01, 0.03, 0.04) diluted magnetic semiconductor nanotubes.

The enlarged central part M–H loop shows for the Co = 0.09 doped ZnO sample, the ferromagnetic (FM) behavior increased, i.e., a Mr of 0.2412 emu g−1 with a Hc of 85 Oe.

TDOS and PDOS of ternary TlLF3 (L = Ca, Cd) fluoroperovskites.

This study presents the investigations of structural, elastic, optical, and electronic properties of CaQCl3 (Q = Li and K) chloroperovskites for the first time using the DFT framework.

In the scheme of density functional theory (DFT), Structural, elastic, electronic, and optical properties calculations of GaBeCl3 and InBeCl3 are carried out using Tran–Blaha modified Becke–Johnson exchange potential approximation (TB-mBJ) installed in Wein2k software.

OBJECTIVE To assess the clinical outcomes of revascularisation based on fractional flow reserve (FFR) and/or instantaneous wave-free ratio (iFR). STUDY DESIGN Descriptive study. PLACE AND DURATION OF STUDY Department of Medicine, The Aga Khan University Hospital, Karachi from January 2012 to January 2020. METHODOLOGY A cohort of patients having moderate to severe coronary stenosis, undergoing coronary revascularisation based on invasive physiological assessment (FFR or iFR) were assessed. The participants were divided into the revascularisation-deferred group and the revascularization-performed group, based on the physiological results. Cox-proportional hazard model building was done, using a stepwise approach by assessing all plausible interactions and considering p-value ≤0.05 as statistically significant. RESULTS The frequency of major adverse cardiac event (MACE) and target vessel revascularisation was 8.4% and 3.2% in the revascularisation-performed group as compared to 6.4% and 3.2% in the revascularisation-deferred group. In adjusted models, no statistically significant difference was noted in MACE when comparing the revascularisation-performed group with a deferred group. CONCLUSION Revascularisation guided by invasive physiological assessment with FFR or iFR is clinically safe and led to better resource utilisation. Key Words: Fractional flow reserve, Instantaneous wave-free ratio, Invasive physiological assessment, Low-middle income country.

Due to its theoretically anticipated and practically observed above-room-temperature ferromagnetism and lengthy spin-coherence time, TiO2 has long been regarded as a viable candidate material for diluted magnetic semiconductors. Therefore, pure and (Sr, Co) co-doped TiO2 nanostructures of different compositions were synthesized via a simple hydrothermal method. X-ray diffraction analysis confirmed the formation of a high anatase phase with grain sizes ranging between 26 and 33 nm. The functional groups of these nanoparticles were observed through Fourier transform infrared spectroscopy analysis. Furthermore, Raman spectroscopy endorsed the single phase of the prepared nanostructures. UV–Vis spectroscopy was applied to study the behavior of absorption, which indicated an increase in band gap from 3.30 eV (pure TiO2) to 3.34 eV (5% co-doped TiO2). In addition, Ti3+ centers affiliated with oxygen vacancies have been described by electron spin resonance spectroscopy. Our findings provide comprehensive insight to tailor structural and optical properties of TiO2 nanostructure by Sr and Co co-doping. The (Sr, Co) co-doped TiO2 samples show ferromagnetic behavior. The saturation and remnant magnetizations (Ms and Mr) increased from (0.821 to 2.801) memu/g and (0.23 to 0.27 memu/g) while coercivity (Hc) enhanced from 50 to 75 Oe with an increase in the concentration of dopants in the TiO2 matrix. In (Sr, Co) co-doped TiO2 specimens, oxygen vacancies have been shown to be the principal cause of room-temperature ferromagnetism. The results reveal that the improved optical and magnetic characteristics of the (Sr, Co) co-doped TiO2 are closely linked to oxygen vacancy concentrations. The (Sr, Co)-doped TiO2 nanoparticles are suitable for spin-based electronics and optoelectronics-based industrial applications.

Objectives: To retrospectively review the short term outcomes of rotational atherectomy in a high CathPCI Risk and high Syntax Population. Methodology: A total of 51 patients who underwent RA between 1st June 2017 and 31st April 2019 were retrospectively reviewed after approval from ethical review committee. Clinical follow up was obtained for procedural success and major adverse cardiovascular events (MACE) at 3 months. Results: Patients who underwent RA were high risk with a mean Syntax score 32.7±5.9 and mean NCDR CathPCI risk score of 51.1±13. The mean age of the patients were 70 years, majority were males (81%), type 2 diabetics (78%) with chronic kidney disease (52.7%), Non-ST elevated myocardial infarction (NSTEMI) (35%) and Syntax Score>32 (64.8%). Out of 37 individuals, procedural success was reported in all subjects except one in the high risk syntax group. At three months, MACE was reported in 4 patients. Out of these four, one was intra-procedural death, three had repeat myocardial infarction. Out of these three, two declined repeat revascularization and were managed medically. One patient died during admission despite repeat revascularization. Almost all MACE reported, occurred in patients with Syntax>32. Conclusion: Despite high risk Syntax and CathPCI scores, RA led to high immediate procedural success for PCI in calcified lesions at our hospital with infrequent MACE.

We successfully fabricated ZnO, Zn0.96Co0.04O, Zn0.95Co0.04Ce0.01O, Zn0.94Co0.04Ce0.02O, and Zn0.92Co0.04Ce0.04O nanoparticles and studied their room-temperature structure and magnetic properties. The X-rays diffraction (XRD) patterns of all the samples confirmed the presence of a wurtzite-type structure. XRD and Transmission Electron Microscopy (TEM) results showed that Zn2+ ions originally at tetrahedral sites were replaced by high-spin Co2+ and Ce3+ ions. This study also showed that with an increase in co-dopant concentration, the average grain size of the samples increased. We found that Zn0.96-xCo0.04CexO (x = 0.0, 0.1, 0.2, and 0.4) nanoparticles were ferromagnetic with a Curie temperature above 300 K. In addition, a large increase in ferromagnetism, i.e., high coercivity field, Hc, of 90Oe and remanent magnetization, Mr, of 0.25 × 10−2 emu/g, was observed for Zn0.96-xCo0.04CexO (x = 0.2) nanoparticles. The origins of ferromagnetism may be either due to the intrinsic nature of Co and Ce co-doped samples or to the presence of certain undetected spinel-type impurities in the samples. Also, it was concluded that Co and Ce incorporation are responsible for ferromagnetism in the doped sample. The doping generates oxygen vacancies, which trap charges and cause a rise in F-centers, resulting in exchange interactions with impurity atoms and increased magnetism. All these results showed that co-doped ZnO-based diluted magnetic semiconductors could be considered for spin-based electronics and optoelectronics devices.

This study presents the investigations of structural, elastic, optical, and electronic properties of CaQCl

The intensified quest for efficient materials drives us to study the alkali (Na)-based niobate (NaNbO3) and tantalate (NaTaO3) perovskites while exploiting the first-principles approach based on density functional theory, coded within WIEN2K. While using the Birch Murnaghan fit, we find these materials to be stable structurally. Similarly, the ab-initio molecular dynamics simulations (AIMD) at room temperature reveals that the compounds exhibit no structural distortion and are stable at room temperature. By using the recommended modified Becke–Johnson potential, we determine the electronic characteristics of the present materials providing insight into their nature: they are revealed to be indirect semiconductors with the calculated bandgaps of 2.5 and 3.8 eV for NaNbO3 and NaTaO3, respectively. We also determine the total and partial density of states for both materials and the results obtained for the bandgap energies of these materials are consistent with those determined by the band structure. We find that both compounds exhibit transparency to the striking photon at low energy and demonstrate absorption and optical conduction in the UV region. The elastic study shows that these compounds are mechanically stable, whereas NaNbO3 exhibits stronger ability to withstand compressive as well as shear stresses and resists change in shape while NaTaO3 demonstrates weaker ability to resist change in volume. We also find that none of the compound is perfectly isotropic and NaNbO3 and NaTaO3 are ductile and brittle in nature, respectively. By studying the optical properties of these materials, we infer that they are promising candidates for applications in optoelectronic devices. We believe that this report will invoke the experimental studies for further investigation.

This paper has focused on investigating the structure, dielectric, and magnetic characteristic of Sn-ZnO nanopowder with Sn (x = 0%, 2%, 4%, and 6%) synthesized by the co-precipitation technique. Our objective was to obtain the material of low dielectric constant, high electrical conductivity, and magnetism. X-ray diffraction confirmed the Sn-ZnO nanoparticles have a ZnO-like hexagonal structure. It is found that the dielectric constant, dielectric loss, and a.c conductivity of doped nanoparticles were frequency-dependent. The dielectric constant of all the doped samples were increased by the increase in the Sn-doped concentration, while the decrease in frequency increased the dielectric constant and loss. Moreover, the a.c conductivity was increased by the increase in Sn concentration and frequency. Ferromagnetism was observed in ZnO doped with 4% and 6% Sn at room temperature. In addition, a robust magnetic hysteresis loop was observed for doped with 4% Sn to ZnO nanopowder at 300 K with coercive field (Hc) ~ 49 Oe and remnant magnetization (Mr) ~ 0.189 emu/g. The loss of magnetism at higher Sn- ZnO nanopowder was assigned to the suppression of ferromagnetism through paramagnetic interactions. The experimental results showed that 4% Sn- ZnO became ferromagnetic, its lattice shrink and size decreased, which is important for excellent magnetic properties and electrical conductivity. These types of materials have a large number of applications in high-frequency devices, ultrahigh dielectric material gas sensors, spintronics, and optoelectronics.

Different nanoparticles (NPs) including S1, S2, S3, S4, and S5 are prepared, using the co-precipitation route. The substitution of Co and Ni into the SnO2 matrix brought considerable modification in the physical attributes of all co-doped samples. The XRD data reveal that the calculated crystallite size is reduced from 10.54 to 1.65 nm with piling up oxygen vacancies (OVs) concentration when the Co content varies from 2.2 to 11 mM. The insertion of Co and Ni in SnO2 (lattice) produces ample alteration in the material traits of all samples. The dielectric properties strongly exhibit doping dependence. The dielectric measures including (dielectric loss e′, dielectric loss factor tan δ, and AC conductivity σac ) are varied with growing Co content and achieved the utmost values for S4 NPs. The tanδ shows the dispersive nature, and relaxation peaks are identified, in which intensities are enhanced with growing Co content. The dielectric behavior and σac variations show that the dispersion is induced by polarization at the interfaces due to OVs and hopping processes. All these materials (samples) are interesting for device applications due to their large dielectric constant. The appearance of hysteresis loops show ferromagnetic nature with enhancement in saturation magnetization arises from a substantial measure of induced OVs (defects) by co-doping in the system (samples). The current work shows the doping-induced variations in dielectric and magnetic attributes. The OVs produce ferromagnetic behavior in (Ni, Co) co-doped SnO2 NPs applicable in high-frequency dielectric devices, and spintronics.

Background Radial artery occlusion is a common complication of coronary angiography via radial artery, attributed to the prolonged use of trans-radial band post procedure. Literature suggests there is no standard protocol for radial band deflation, and it varies across institutions. However, the protocol suggested by Cohen and Alfonso is widely used globally. This study aims to test whether our hospital’s radial band deflation protocol is non-inferior to the protocol of Cohen and Alfonso, which affirms lesser complications. Methods This is an outcome assessor blinded, non-inferiority trial conducted at a tertiary care hospital in Karachi. We enrolled 100 patients who underwent coronary angiography from radial access and gave written informed consent. The intervention group received protocol A, that is in practice at the institution, while the control group received protocol B, developed by Cohen and Alfonso. The primary outcome was occurrence of radial artery occlusion at 24 h. The secondary outcomes included hematoma and bleeding after radial band removal. Results The mean age of the participants in the trial was 58.3 ± 11.5 years, while 63% of them were men. Participants in both the groups had similar baseline characteristics. Radial artery occlusion was not significantly different between protocol A and protocol B (10% vs. 14%, p = 0.49, respectively). Similarly, hematoma and bleeding after trans-radial band removal showed no statistical difference between the groups. Conclusion Trans-radial band deflation practice at our institution was non-inferior to Cohen and Alfonso’s protocol in the incidence of radial artery occlusion after coronary angiography. Trial Registration Number This trial is registered at clinicaltrials.gov ( https://clinicaltrials.gov ) with registration number NCT03298126.

Improving the efficiency of Ag nanoparticles (NPs) in an antibacterial system remains a problem to be solved. Herein, a simple polyethyleneimine (PEI) modification strategy has been developed for realizing the high dispersion of Ag NPs with average size of 10 nm over two dimensional nanosheets of g-C3N4 photocatalyst, and the as-prepared ternary Ag/PEI/CN hybrid demonstrates enhanced bifunctional performance of antibiotics (e.g., tetracycline, TC) degradation and antibacterial activity. The enhanced mechanism is investigated and proposed to be a synergy effect between reactive oxygen-containing species (ROS, e.g., •OH and O2•−) derived from PEI modified g-C3N4 photocatalyst and slow released Ag+ ions generated by the highly dispersed Ag NPs as antimicrobial agent. Furthermore, the surface plasmonic effect of Ag NPs and coupling of PEI can increase light absorption and accelerate the electron-hole separation and mobility. Consequently, more availability of ROS along with holes and Ag+ ions can accelerate the death of bacteria via destructing biomolecules. As a result, under visible-light irradiation, Ag/PEI/CN hybrid presents greatly improved antibacterial activity against E. coli, including a low MIC100% of 30 ppm and MBC97% of 10 ppm and enhanced photocatalytic performance towards TC degradation (~80% TC can be degraded within 60 min).

This paper explains our first-principle computational investigation regarding the structural, optical, elastic, and electrical characteristics of gallium-based GaMF

This work displays the structural, electronic, elastic, optical, and magnetic properties in spin-polarized configurations for cubic fluoroperovskite ABF3 (A = Tl, B = Nb, V) compounds studied by density functional theory (DFT) by means of the Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach. The ground state characteristics of these compounds, i.e., the lattice parameters a0, bulk modulus (B), and its pressure derivative B' are investigated. The structural properties depict that the selected compounds retain a cubic crystalline structure and have stable ground state energy. Electronic-band structures and DOS (density of states) in spin-polarized cases are studied which reports the semiconducting nature of both materials. The TDOS (total density of states) and PDOS (partial density of states) studies in both spin configurations show that the maximum contributions of states to the different bands is due to the B-site (p-states) atoms as well as F (p-states) atoms. Elastic properties including anisotropy factor (A), elastic constants, i.e.

Artificial photosynthesis is deemed as an efficient protocol for transforming abundant solar energy into valuable fuel. In this paper, the well-defined one-dimensional (1D) core–shell MnO2@CdS hybrids were constructed by employing MnO2 nanotubes and CdS nanoparticles as nano-building blocks via a chemical co-precipitation route. The rationally designed core–shell structure provided an intimate heterojunction interface between the CdS shell and MnO2 core. All the MnO2@CdS core–shell nanocomposites possess higher H2 evolution rate through visible light irradiation contrary to pristine CdS, and the optimal MnO2@CdS hybrid exhibits the utmost H2 evolution rate of 3.94 mmol·g−1·h−1, which is 2.8-fold higher compared with that of CdS. Appertaining to XPS and Mott-Schottky (M-S) analysis, such enhanced photocatalytic H2 generation of MnO2@CdS heterojunction was ascribed to an S-scheme mechanism, which suppressed the charge recombination along with a fast detachment of electron–hole pairs (e−–h+) and significantly improved the severance of carriers, thus improved H2 evolution performance. These findings envision a new insight into the development of S-scheme heterostructure for photocatalytic H2 generation.

Oxygen vacancies (O.Vs) play vital role in tailoring structural, optical and dielectric properties of nanostructures. Here we prepared SnO2/graphite (SG) nanocomposite by growing SnO2 nanoparticles on graphite sheets via hydrothermal method. Enhanced dielectric behavior due to increase in the oxygen vacancies (O.Vs) has been observed in SnO2/graphite (SG) nanocomposite synthesized. To reveal the underlying origin here, we investigated the structural, morphological, optical, electrochemical and dielectric properties. The growth of SnO2 NPs on graphite sheets resulted in small-sized NPs (Average size 10.89 ± 0.24 nm) inducing stresses in the structure causing large defect density (O.Vs). The formation of SG nanocomposite has been validated via SEM, TEM, EDX and FTIR. EDX, XPS and Photoluminescence (PL) spectra of SG nanocomposite manifest the presence of large oxygen vacancies (O.Vs). It is revealed that the bandgap of the host material SnO2 (from ultra violet to the visible window) can be engineered by controlling the assimilation of SnO2 NPs on GNs. SG nanocomposite exhibits reversible redox process with high anodic and cathodic currents, low internal (0.47 Ω) and charge transfer (4.08 Ω) resistances, correspondingly, low voltage drop (IR) 0.56 V and high capacitance 54.8 F/g. Variations in dielectric constant (ɛ), dielectric loss ( $$\varepsilon^{\prime\prime}$$ ) and conductivity (σac) are attributed to the increased concentration of O.Vs and introduction of conductive carbon (graphite). The variations in dielectric properties are attributable to Maxewell–Wagner interfacial polarization and hopping process.

In advanced computing technologies, metal oxide-based resistive switching random access memory (RRAM) has been considered an excellent scientific research interest in the areas of information storage and memory computing. Herein, we described a summary of contemporary understanding of nanoscale RRAM devices, and classified them according to their current–voltage (I–V) behavior, and various resistive switching features and corresponding parameters are also discussed. The existence of resistive switching effects with other experimental influential parameters explains better RRAM operation. Therefore, this review covers the abilities of RRAM to be integrated into the most sophisticated complementary-metal-oxide–semiconductor integrated circuits under additional consideration with relevant selector parameters to execute the operation. Additionally, we explained the route of changing the interface barrier height regarding the interface-based systems, such as inserting the tunnel layer and using different electrodes. Our findings show that by changing the specific parameters, the switching mechanism can be switched from one mode to another, which helps scientists assess the actual effectiveness and impact of resistive switching research on technology development.

Herein, we report the study of half-Heusler ScTiX (X = Si, Ge, Pb, In, As, and Tl) compounds for the first time employing the scheme of density functional theory (DFT). The influence of on-site Coulomb interactions is taken into account, and simulations are conducted in generalized gradient approximation with the added Hubbard U term (GGA + U). All the compounds were observed to have a narrow band gap on the spin-down configuration. Though spinning the majority channel (spin-up), it is found to be metallic. Consequently, all compounds are semi-metallic or half-metallic and 100% of spin polarized at the Fermi level. Various features, comprising structural, magnetic, elastic, and electronic properties, are calculated through full-potential linearized augmented plane wave (FP-LAPW) method, since they are incorporated in the computer simulation package of WIEN2k. Equilibrium lattice constants are observed for all the compounds which exist within the domain of 6.4–6.8 A°. The IRelast package is already integrated in WIEN2K that has been used for the elastic properties. Elastic features reflect the brittle character of all the material. The total magnetic moments for all such materials are greater than 3 μB, i.e., 3 μB of MTot. Therefore, the compounds show a strong ferromagnetic behavior. These are therefore expected to be used as shape base for thin layers within metastable situations for spintronic applications. The resulted elastic properties show that ScTiSi is ductile, while all other five compounds represent brittle nature. Above findings delight the prospect of ScTiX (X = Si, Ge, Pb, In, As and Ti) compounds in developing half-metallic HH compounds for spintronics and memory storage appliances.

Herein, we report the characterization of CuO nanostructures annealed at different temperatures, synthesized by chemical co-precipitation method. It is found in the XRD patterns that the peaks were broader at low temperatures due to increased defect density and poor crystallization suggesting that increasing annealing temperature enhances the degree of crystallization of the samples. Scanning electron microscopy (SEM) suggests that the CuO nanostructures change with increasing annealing temperature from rods to disc-shaped particles. It is observed in PL that with the increase in annealing temperature, the emission intensities increase for the same morphology due to the increase in oxygen vacancies (O.Vs) and improvement of crystallization. The dielectric constant has been increased with increasing temperature for the same morphology and is maximum for the sample annealed at 600 °C which is mainly due to the RDP and SCP. The relaxation peaks are shifted to the higher frequencies due to defect dipoles. Enhancement in conductivity is due to the growth of conducting grains. Our findings may provide comprehensive insight in designing high-performance electronic devices.

Cobalt-doped TiO

Using the full-potential linearized augmented plane wave (FP-LAPW) method, dependent on density functional theory, the simple cubic ternary fluoroperovskites XZnF

In the scheme of density functional theory (DFT), Structural, elastic, electronic, and optical properties calculations of GaBeCl

A 45 year old male with hypertension was presented to our centre with a recent inferior wall myocardial infarction (IWMI) and post infarction angina. Invasive coronary angiography revealed an occluded proximal right coronary artery (RCA) with high thrombus burden, in the absence of obstructive disease in the remaining coronary vasculature. Based on raised platelet counts of 923,000/microliter and positive Janus kinase (JAK 2- V617) mutations tested by polymerase chain reaction (PCR), a diagnosis of essential thrombocythemia (ET) was made. A therapeutic strategy of aspiration thrombectomy along with I/V Tirofiban was used for three days, followed by reassessed angiogram and percutaneous coronary intervention (PCI) with drug eluting stent (DES) placement was applied. In addition to dual antiplatelet and statin therapy, patient was treated with Rivaroxaban 15 mg once daily for a month and Hydroxyurea 500mg twice daily. At one month follow up, patient was asymptomatic, Continue...

Tin oxide (SnO

In this research work, the Tl-based fluoroperovskite compounds TlLF

In this paper, we report some physical properties of Half-Heusler ScVX (X = Si, Ge, Sn, and Pb) compounds using the first-principle investigations employing density functional theory (DFT) within the WIEN2k. Simulations are carried out using the generalized gradient approximation with the addition of the Hubbard U-term (GGA + U), which takes into consideration the effect of on-site Coulombic interactions. All the compounds are found structurally stable, having an optimized phase. The optimum lattice constants, according to the calculations for these compounds, are 6.0206 A, 6.255 A, 6.561 A, and 6.64 A for ScVX (X = Si, Ge, Sn, and Pb), respectively. Spin-polarized calculations (i.e., spin-up and spin-down) are carried out and in the electronic properties, it is noted that all these compounds possess a small band gap in the spin-down configuration. While in spin-up (spinning the majority channel), the metallic nature is confirmed. As a result, all compounds are half-metallic and are 100 percent spin-polarized at the Fermi level. Elastic properties show that, except the ScVPb, all investigated compounds are ductile. All Half-Heusler ScVX (X = Si, Ge, Sn, and Pb) compounds are highly anisotropic. The total magnetic moments of all compounds exceed 3 μB, thus all compounds exhibit strong ferromagnetic behavior, and the magnetic moment is primarily generated by the Vanadium (V) atom. Furthermore, the ferromagnetic phase is determined to be more energetically advantageous than the paramagnetic phase. As a result, ScVX (X = Si, Ge, Sn, and Pb) compounds are attractive materials for future spintronics applications.

Prediction of new materials is crucial for the advancement of technology. Here, in this research work, the first-principle computation has been conducted utilizing the WIEN2K package to probe the structural, electronic, mechanical, and optical properties of barium-based chloroperovskites BaMCl3 (M = Ag, Cu) compounds. The optimized lattice constants are calculated for both compounds which are 9.90 Bohr for BaAgCl3 and 9.38 Bohr for BaCuCl3. To obtain better and more precise results for the electronic band’s structure, TDOS and PDOS (total and partial density of states), and the TB-mBJ potential approximation are employed. The indirect band gap (R–Γ) is found for both compounds having values of 1.173 eV and 2.30 eV for BaCuCl3 and BaAgCl3, respectively, which depicts its semiconducting nature. The calculation of elastic properties is conducted with IRelast code. The Cauchy pressure, Bulk modulus, Young’s modulus, Shear modulus, anisotropic ratio, Kleinman parameters, and Poisson’s ratio are calculated from the obtained elastic constants. The computation of elastic parameters indicates that the interested chloroperovskites are anisotropic, mechanically stable, hard to scratch, and ductile. From 0 eV to 40 eV incident photon energy ranges, the various optical parameter such as refractive index, absorption coefficient, dielectric function, reflectivity, extinction coefficient, and optical conductivity are analyzed. These compounds absorb maximum light within 5 to 25 eV incident photon energy. Hence, these materials are good light absorbers, therefore, they can be used in optoelectronic devices for high-frequency applications.

Objectives: Discharge/Left Against Medical Advice (AMA) is associated with worse outcomes in terms of MACE. There are no descriptions of ACS patients who left AMA in our nation cohorts. The aims of this study is to determine MACE in patients signing DAMA/LAMA and quantifying factors associated with LAMA in ACS patients in our population. Methodology: An Ambi directional cohort study conducted on a total of n=257 patients from Jan 2014 to Dec 2018 who left AMA from a tertiary care hospital. Background data was collected from hospital electronic database and then patients/attendants were contacted through telephonic calls and email for follow up. Primary and secondary end points were to determine MACE and quantify factors associated with discharge AMA respectively. Results: A total of n=346 patients signed discharge AMA from Jan 2014 to Dec 2018 out of which n=257 were successfully contacted and shared data after informed verbal consents. Out of 257, 63%(n=163) were men and 36.57%(n=94) were female. Hypertension was the common risk factor in both genders 80%(n=205) followed by DM and family history of premature coronary artery disease. Most common mode of presentation was NSTEMI followed by unstable angina and STEMI. Most common reason of LAMA was financial constraints in 43.1%(n=111) followed by treatment preferences in another setup and code DNR (don’t resuscitate). 22.57% patients belonged to low socioeconomic status. Total mortality till date of follow up was 60.7% (n=156) with One-year mortality of 78.8% (n=123) and 1st week mortality after LAMA was 15.18% (n=39). About 35.40% (n=91) of patient left to home and had mortality of 41%(n=64) and 64.56% (n=166) left for another hospital and had mortality of 58.97% (n=92). Those who survived had prevalence of recurrent MI and heart failure of 76% and 49% respectively on follow up. Conclusion: Discharge against medical advice in ACS patients is associated with higher mortality. We need to educate our patients/attendant regarding disease severity, need of timely interventions and prognosis to decrease frequency of discharge AMA and minimize mortality.

Objectives: The aim of this study was to assess the prognostic significance of rSS after PCI for NSTEMI in terms of all-cause mortality and MACE (Major adverse cardiac event) at 3 years of follow-up. Methodology: A retrospective analysis of 115 consecutive NSTEMI patients who underwent PCI at the Aga Khan University Hospital Karachi between January 2016 and December 2016 was performed. 7 patients were excluded from the final analysis due to missing data (n=108). The SYNTAX scores before (baseline syntax=bSS) and after PCI (rSS) were calculated. Patients were stratified as CR if rSS =0, RICR if rSS >0 and ≤8 and ICR if rSS >8. Results: Patients that achieved CR were 44 (40.7%), RICR were 40 (37.7%) and ICR were 24 (22.2%). After three-year follow-up, ICR patients had the highest incidence of both all-cause mortality [(CR) 4.5% vs. (RICR) 5% vs. (ICR) 37.5% respectively; p0 and ≤8) N= 40 ICR (rSS>8) N= 24 P value CR vs RICR p value CR vs ICR P value RICR vs ICR P value All cause death 2 (4.5) 2 (5) 9 (37.5)