Bioinspired Diiron Complex with Proton Shuttling and Redox-Active Ligand for Electrocatalytic Hydrogen Evolution.

A μ-oxo diiron complex, featuring the pyridine-2,6-dicarboxamide-based thiazoline-derived redox-active ligand, HL (HL = N,N-bis(4,5-dihydrothiazol-2-yl)pyridine-2,6-dicarboxamide), was synthesized and thoroughly characterized. showed electrocatalytic hydrogen evolution reaction activity in the presence of different organic acids of varying p values in dimethylformamide. Through electrochemical analysis, we found that is a precatalyst that undergoes concerted two-electron reduction to generate an active catalyst.

Optimizing the NRR activity of single and double boron atom catalysts using a suitable support: a first principles investigation.

Designing cost effective transition-metal free electrocatalysts for nitrogen fixation under ambient conditions is highly appealing from an industrial point of view. Using density functional theory calculations in combination with the computational hydrogen electrode model, we investigate the N activation and reduction activity of ten different model catalysts obtained by supporting single and double boron atoms on five different substrates ( GaN, graphene, graphyne, MoS and g-CN). Our results demonstrate that the single/double boron atom catalysts bind favourably on these substrates, leading to a considerable change in the electronic structure of these materials.

Implications of the Pore Size of Graphitic Carbon Nitride Monolayers on the Selectivity of Dual-Boron Atom Catalysts for the Reduction of N to Urea and Ammonia: A Computational Investigation.

The formation of urea by electrocatalytic means remains a great challenge due to the lack of a suitable catalyst that is capable of not only activating inert N and CO molecules but also circumventing the complexity associated with subsequent reaction steps leading to urea formation. Herein, by means of comprehensive density functional theory simulations, we investigate the catalytic activity of highly stable transition-metal-free dual-boron atom-doped graphitic carbon-nitride monolayers with different pore sizes toward urea production under ambient conditions. As per the results, dual boron atoms impregnated in g-CN and g-CN monolayers with large pore diameters can successfully activate the N molecule and lead to the spontaneous formation of the *NCO*N intermediate, which is the most crucial step for urea formation via direct coupling of N and CO.

Probing the Site-Specific Reactivity and Catalytic Activity of Ag ( = 15-20) Silver Clusters.

Density functional theory calculations within the framework of generalized gradient approximation (GGA), meta-GGA, and local functionals were carried out to investigate the reactivity and catalytic activity of Ag ( = 15-20) clusters. Our results reveal that all the Ag clusters in this size range, except Ag, adsorb O preferably in the bridged mode with enhanced binding energy as compared to the atop mode. The O binding energies range from 0.

Role of magnetization on catalytic pathways of non-oxidative methane activation on neutral iron carbide clusters.

Methane has emerged as a promising fuel due to its abundance and clean combustion properties. It is also a raw material for various value-added chemicals. However, the conversion of methane to other chemicals such as olefins, aromatics, and hydrocarbons is a difficult task.

Comparison of percutaneous nephrolithotomy under epidural anesthesia versus general anesthesia: A randomized prospective study.

Introduction: PCNL has revolutionized the treatment of renal calculi putting almost an end to the era of open stone surgery. The procedure can safely be carried out under general anesthesia (GA) or regional anesthesia viz. spinal anesthesia (SA), epidural anesthesia (EA) or combined spinal and epidural anesthesia (CSE).

Genetic gain for rice yield in rainfed environments in India.

The complexity of genotype × environment interactions under drought reduces heritability, which determines the effectiveness of selection for drought tolerance and development of drought tolerant varieties. Genetic progress measured through changes in yield performance over time is important in determining the efficiency of breeding programmes in which test cultivars are replaced each year on the assumption that the new cultivars will surpass the older cultivars. The goal of our study was to determine the annual rate of genetic gain for rice grain yield in a drought-prone rainfed system in a series of multi-environment trials conducted from 2005 to 2014 under the Drought Breeding Network of Indian sites in collaboration with the International Rice Research Institute (IRRI).

Gender focused training and knowledge enhances the adoption of climate resilient seeds.

Adoption of any agricultural technology depends upon the way in which farmers are being informed about its benefits. Educational status, caste, gender and other social issues also play a significant role in the adoption process. To evaluate the impact of trainings on quality seed production, access to the climate resilient rice seeds, availability of information about seed sources and use of IRRI super bags, a randomized experimental research was carried out over a period of two years across five different states of India.

Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters.

Surface functionalization through adsorption of ligands or non-metal atoms is considered to be an interesting and viable approach for tuning the physicochemical properties of gold clusters. Highly stable and magic numbered electronic configurations of thiolate protected gold clusters such as Au25(SR)18, Au38(SR)24etc. with intriguing properties are the direct manifestation of the rich chemistry of the Au-S interface.

Parrilla urethra: A sequalae of electric shock torture to genitals in men. A 40 case series in Kashmir (India).

Introduction: Since the 20th century, electric shock torture has become one of the most prevalent methods of torture partly because it produces sequelae that are more challenging to visibly detect, particularly when administered using high voltage and low current. In sexual torture, a wire is wrapped around the head of the penis and a wire electrode is inserted into the urethra.This produces unbearable pain and can lead to urethral strictures with devastating physical and psychological consequences.

Molecular and Dissociative Adsorption of Oxygen on Au-Pd Bimetallic Clusters: Role of Composition and Spin State of the Cluster.

Utilization of molecular oxygen as an oxidizing agent in industrially important reactions is the ultimate goal to design environmentally benign processes under ambient conditions. However, the high thermal stability and a large O-O dissociation barrier in O molecule pose a great challenge toward its successful application in the oxidative chemistry. To achieve this goal, different catalysts based on monometallic and bimetallic clusters have been developed over the years to promote binding and dissociation of molecular oxygen.

Healing Potential of Platelet Rich Fibrin in Impacted Mandibular Third Molar Extraction Sockets.

Background: Healing of both hard and soft tissues have become one of the great challenges, faced in clinical research in development of bioactive surgical additives responsible for regulating inflammation and increasing healing. Platelet-rich fibrin (PRF) represents a new step in the platelet gel therapeutic concept with simplified processing minus artificial biochemical modification.

Aims And Objectives: The aim of this study is to evaluate the effectiveness of PRF on soft-tissue healing and bone tissue healing in terms of postoperative pain, postoperative swelling, soft tissue healing, and the quality of bone healing at the mandibular third molar socket.

No yield penalty under favorable conditions paving the way for successful adoption of flood tolerant rice.

Flooding is one of the major constraints for rice production in rainfed lowlands, especially in years and areas of high rainfall. Incorporating the Sub1 (Submergence1) gene into high yielding popular varieties has proven to be the most feasible approach to sustain rice production in submergence-prone areas. Introgression of this QTL into popular varieties has resulted in considerable improvement in yield after flooding.

Use of autologous platelet-rich fibrin in osseous regeneration after cystic enucleation: A clinical study.

Aims And Objectives: The aim of this study was to evaluate the efficacy of PRF in osseous regeneration after enucleation of cystic lesions. The objectives of this study were as follows: (1) to evaluate osseous regeneration radiographically with the use of PRF in intrabony defects after cystic enucleation. (2) To evaluate the degree of bone density in intrabony defects with the use of PRF postoperatively after 1st, 3rd, and 6th months.

Endohedrally doped gold nanocages: efficient catalysts for O2 activation and CO oxidation.

Gold nanocages are the most attractive catalytic materials as all the atoms in the cage type clusters reside on the surface, making them available for chemisorption by reacting molecules. Due to a hollow space at the center, their chemical and catalytic properties can be tuned effectively and easily by endohedral doping. While a significant experimental and theoretical understanding is currently available on the structural and electronic properties of doped gold cages, very little information is available on their reactivity and catalytic behavior.

Reactivity and Catalytic Activity of Hydrogen Atom Chemisorbed Silver Clusters.

Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different catalytic applications and low cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic properties of inert silver clusters.

Coloplasty Neorectum versus Straight Anastomosis in Low Rectal Cancers.

Introduction. Patients with the diagnosis of carcinoma rectum after random allocation were assigned to 2 groups. One group was subjected to total mesorectal excision with coloplasty neorectum reconstruction and another group to total mesorectal excision with straight anastomosis.

Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation.

We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOX chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier.

Flood-tolerant rice reduces yield variability and raises expected yield, differentially benefitting socially disadvantaged groups.

Approximately 30% of the cultivated rice area in India is prone to crop damage from prolonged flooding. We use a randomized field experiment in 128 villages of Orissa India to show that Swarna-Sub1, a recently released submergence-tolerant rice variety, has significant positive impacts on rice yield when fields are submerged for 7 to 14 days with no yield penalty without flooding. We estimate that Swarna-Sub1 offers an approximate 45% increase in yields over the current popular variety when fields are submerged for 10 days.

Cyclin D1 G870A polymorphism and risk of colorectal cancer: a case control study.

The present study aimed to analyse the role of cyclin D1 A870G polymorphism in modulating the susceptibility to colorectal cancer (CRC) in the Kashmiri population. The genotype distribution of the cyclin D1 gene in 130 CRC cases in comparison with 160 healthy controls was investigated. No direct significant association between cyclin D1 genotypes and CRC was observed; however, the AG and AA genotypes were found to be associated with an increased risk of CRC compared to the GG genotype, with an almost 2-fold increase in OR.

Largest Serous Cystadenoma in the first Trimester treated Laparoscopically: A Case Report.

We report the first case of a giant serous cystadenoma approximately 7.5kg in weight in a 28-year old primigravida at 8 weeks of gestation which was successfully excised laparoscopically. Postoperatively, she had a quick recovery and she was discharged on post op day 3 with an intact pregnancy and no complications.

Torsion of the gallbladder: a case report.

Introduction: Torsion of the gallbladder is a rare condition that most commonly affects the elderly. Pre-operative diagnosis is the exception rather than the rule. Any delay in treatment can be fatal as the gallbladder may rupture, leading to biliary peritonitis.

Biliary ascariasis as a cause of post-cholecystectomy syndrome in an endemic area.

Background: Post-cholecystectomy syndrome encompasses numerous biliary, pancreatic and other entities. Biliary ascariasis is a common cause of adult biliary disease in an endemic area. Post-cholecystectomy biliary ascariasis, a cause of post- cholecystectomy syndrome although not yet defined is frequently seen in this part of the world.

Role of endoscopic ultrasonography in preoperative staging of gastric carcinoma.

Background: Preoperative staging of tumour extent in upper gastrointestinal malignancy greatly facilitates planning of therapy. The present study was undertaken to see whether preoperative endoscopic ultrasonography (EUS) accurately predicts the tumour stage in gastric carcinoma.

Methods: Endoscopic ultrasonography was performed preoperatively on 112 patients with gastric cancer.

Surgical management of splenic hydatidosis.

Purpose: This study was conducted to evaluate the surgical management of splenic hydatidosis in an area where the disease is endemic.

Method: Over a period of 16 years, 26 patients with splenic hydatidosis underwent surgery in our department. Preoperative investigations included plain abdominal X-ray, serology, ultrasonography, and computed tomography.