Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs

A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$_{3}$N$_{4}$ polymorphs. Using our recently developed van Leeuwen-Baerends (vLB) corrected local-density approximation (LDA), we implemented LDA+vLB within full-potential N$^{th}$-order muffin-tin orbital (FP-NMTO) method and show that it improves structural properties and band gaps compared to semi-local functionals (LDA/GGA). We demonstrate that the LDA+vLB predicts band-structure and work-function for well-studied 2D-graphene and bulk-Si in very good agreement with experiments, and more exact hybrid functional (HSE) calculations as implemented in the Quantum-Espresso (QE) package. The structural and electronic-structure (band gap) properties of C$_{3}$N$_{4}$ polymorphs calculated using FP-NMTO-LDA+vLB is compared with more sophisticated hybrid-functional calculations. We also perform detailed investigation of photocatalytic behavior using QE-HSE method of C$_{3}$N$_{4}$ polymorphs through work-function, band (valence and conduction) position with respect to water reduction and oxidation potential. Our results show $\gamma$-C$_{3}$N$_{4}$ as the best candidate for photocatalysis among all the C$_{3}$N$_{4}$~polymorphs but it is dynamically unstable at `zero' pressure. We show that $\gamma$-C$_{3}$N$_{4}$ can be stabilized under hydrostatic-pressure, which improves its photocatalytic behavior relative to water reduction and oxidation potentials.Comment: 13 pages, 12 figures, 3 table

Primary transitional cell carcinoma of bulbar urethra

Primary urethral carcinoma (UC) is a rare entity, and bulbar UCs of transitional cell origin are even rarer. Primary presentation as a scrotal abscess and urethrocutaneous fistula is rarely documented in UC patients. We present a case of a 66-year-old male presenting to emergency department with a scrotal abscess. Following blind incision and drainage, the urethral injury was suspected, and biopsy of suspicious lesion was taken from scrotum which came out to be invasive transitional cell carcinoma. A wide local excision of the tumor was done after workup. Hence, all patients with scrotal abscess and urethrocutaneous fistula should be investigated before performing any blind procedure

Non small cell Carcinoma- Lung: Distribution and spectrum of mutations among patients in Eastern India

Background: Lung cancer is one of the most common malignancies in the world. About 80–85% of lung cancers are non-small cell lung cancer (NSCLC). The development of therapeutic agents targeting products of epidermal growth factor receptor (EGFR) gene mutation and anaplastic lymphoma kinase (ALK) rearrangements has significantly improved survival in patients with NSCLC. Thus, the patients eligible for the treatment should be selected through appropriate molecular tests. Objective: The main objective was to study the distribution of NSCLC and its genetic mutations, in the patients of Eastern India. Methodology: A prospective study was carried out among 228 patients, in a tertiary care hospital of Eastern India during a period of 2 years from January 2016 to January 2018. We have included all the patients who were screened and found to have lug carcinoma. The detailed clinical history of the patients was recorded. We have used techniques such as radiology, histopathology, immunohistochemistry (IHC) and molecular study by FISH technique. Results: Out of 138 cases of NSCLC on histopathology 78 cases (56.7%) were reported as squamous cell carcinoma, 46 cases (33.3%) as adenocarcinoma and 14 cases (10.1%) as NSCLC. IHC was used for categorization of NSCLC cases which showed adenocarcinoma in 4 patients and squamous cell carcinoma in 10 patients. EGFR exon 19 deletion mutation was the predominant mutation in adenocarcinoma. Conclusion: Molecular study for genetic analysis has improved the scope for targeted therapy in Nonsmall cell carcinoma patients, thereby reducing mortality and morbidity in cases of lung carcinoma

Simple correction to bandgap problems in IV and III–V semiconductors: an improved, local first-principles density functional theory

We report results from a fast, efficient, and first-principles full-potential Nth-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen–Baerends correction to local density exchange-correlation potential. We show that more complete and compact basis set is critical in improving the electronic and structural properties. We exemplify the self-consistent FP-NMTO calculations on group IV and III–V semiconductors. Notably, predicted bandgaps, lattice constants, and bulk moduli are in good agreement with experiments (e.g. we find for Ge 0.86 eV, 5.57 , 75 GPa versus measured 0.74 eV, 5.66 , 77.2 GPa). We also showcase its application to the electronic properties of 2-dimensional h-BN and h-SiC, again finding good agreement with experiments

Cerebrotendinous Xanthomatosis In A Family

A family consisting of a brother (11 years) and his twin sisters (13 years) with cerebrotendinous xanthomatosis is presented. The brother had bilateral achilles tendon xanthoma, low intelligence, poor memory with early cerebellar signs. The sisters had bilateral juvenile cataracts in addition to Achilles tendon xanthomas. The serum cholosterol level in all the three was within normal limits. The FNAC and histopathology of tendinous swelling showed touton giant cells and foam cells. A diagnosis of cerebro- tendinous xanthomatosis was made on the basis of Achilles tendon xanthomas, bilateral cataracts and normal serum cholesterol