Repurposing of FDA approved drugs against uropathogenic Escherichia coli: In silico, in vitro, and in vivo analysis.

Urinary tract infections (UTIs) are a serious health concern worldwide. Treatment of UTIs is becoming a challenge as uropathogenic Escherichia coli (UPEC), which is the most common etiological agent, has developed resistance to the main classes of antibiotics. Small molecules that interfere with metabolic processes rather than growth are attractive alternatives to conventional antibiotics.

Efficient CO Capture and Activation on Novel Two-Dimensional Transition Metal Borides.

The large-scale production of CO in the atmosphere has triggered global warming, the greenhouse effect, and ocean acidification. The CO conversion to valuable chemical products or its capture and storage are of fundamental importance to mitigate the greenhouse effect on the environment. Therefore, exploring new two-dimensional (2D) materials is indispensable due to their potential intriguing properties.

Antimicrobial resistance in Shigella species: Our five years (2015-2019) experience in a tertiary care center in north India.

Purpose: Shigella is the second leading cause of diarrhoeal mortality especially in children <5 years of age in African and Asian countries. Rapid changes are occurring in the epidemiology of shigellosis and Shigella are increasingly becoming highly drug resistant. To determine the serogroup distribution and antimicrobial resistance of Shigella isolated at our tertiary care centre in North India.

Autoinducer N-(3-oxododecanoyl)-l-homoserine lactone induces calcium and reactive oxygen species-mediated mitochondrial damage and apoptosis in blood platelets.

Acylated homoserine lactones (AHL) such as N-(3-oxododecanoyl)-l-homoserine lactone (3-oxo-C HSL) and N-butyryl-l-homoserine lactone (C HSL) are the most common autoinducer molecules in Pseudomonas aeruginosa. These AHL molecules not only regulate the expression of virulence factors but also have been shown to interfere with the host cell and modulate its functions. Recently, we reported that 3-oxo-C HSL but not C HSL causes cytosolic Ca rise and ROS production in platelets.

Evisceration of umbilical content with extensive adhesion: A surgical approach.

With timely recognition and surgical intervention along with administration of an antibiotic, antihistaminic, and anti-inflammatory drugs, evisceration of umbilical content with extensive adhesion can be treated, and the outcome is also good.

A simple molecular design for tunable two-dimensional imine covalent organic frameworks for optoelectronic applications.

Two-dimensional covalent organic frameworks (2D-COFs) belong to a new class of molecular materials that have attracted huge attention in recent years due to their analogous nature to graphene. In this work, we present a systematic study of the electronic structure, carrier mobility and work function of imine based 2D-COFs. We identify these 2D-COFs as a new class of semiconducting materials with tunable electronic/optoelectronic properties and significant mobility.

Recent Advances in the Carrier Mobility of Two-Dimensional Materials: A Theoretical Perspective.

Since the breakthrough of graphene, 2D materials have engrossed tremendous research attention due to their extraordinary properties and potential applications in electronic and optoelectronic devices. The high carrier mobility in the semiconducting material is critical to guarantee a high switching speed and low power dissipation in the corresponding device. Here, we review significant recent advances and important new developments in the carrier mobility of 2D materials based on theoretical investigations.

Diagnostic accuracy of dual energy CT in the assessment of traumatic bone marrow edema of lower limb and its correlation with MRI.

Background: Bone marrow edema is assumed to be caused as a result of trabecular microfractures that are detected by MRI. As MRI is not widely available in countries like India, this study aims to encourage the use of DECT in detection of bone edema as evidence with comparable efficiency to MRI.

Aim: To assess the diagnostic accuracy of dual-energy CT in detecting bone marrow edema in patients of trauma of lower limb and correlate it with MRI.

FeO-Functionalized Boron Nitride Nanosheets as Novel Adsorbents for Removal of Arsenic(III) from Contaminated Water.

We report the application of FeO-functionalized boron nitride nanosheets (BNNS-FeO nanocomposite) for the remediation of As(III) ions from contaminated water. The specific surface area of the nanocomposite has been found as 179.5 m g.

Revealing the Limits of Intermolecular Interactions: Molecular Rings of Ferrocene Derivatives on Graphite Surface.

We report the formation of discrete molecular rings/spirals of small molecules (1,3-dithia derivatives of ferrocene) on a highly oriented pyrolytic graphite (HOPG) surface. On the basis of microscopy and theoretical calculations, molecular level arrangement within the molecular rings is understood. The molecular rings show a limiting inner diameter, and we interpret it to be related to the critical intermolecular interaction limit.

Crosstalk between Platelet and Bacteria: A Therapeutic Prospect.

Platelets are typically recognized for their roles in the maintenance of hemostasis and vascular wall repair to reduce blood loss. Beyond hemostasis, platelets also play a critical role in pathophysiological conditions like atherosclerosis, stroke, thrombosis, and infections. During infection, platelets interact directly and indirectly with bacteria through a wide range of cellular and molecular mechanisms.

Boron-Carbon-Nitride Sheet as a Novel Surface for Biological Applications: Insights from Density Functional Theory.

Understanding the interaction between nanoscale materials and nucleobases is essential for their use in nanobiotechnology and nanomedicine. Our ab initio calculations indicate that the interaction of nucleobases [adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U)] with boron-carbon-nitride (BCN) is mainly governed by van der Waals interactions. The adsorption energies, ranging from -0.

Mid-Second Trimester Measurement of Nasal Bone Length in North Indian Population.

Objective: Our objective for this study was to establish a reference range of normal fetal nasal bone length (NBL) from 14 to 22 weeks in a North Indian population.

Materials And Methods: Pregnant women with gestational age (GA) from 14 to 22 weeks undergoing ultrasonography with a single live fetus and no complications in the fetus or mother were selected for the study. The fetal nasal bone was measured in 2060 pregnant women from 2014 to 2018.

Defect-enriched tunability of electronic and charge-carrier transport characteristics of 2D borocarbonitride (BCN) monolayers from ab initio calculations.

Development of inexpensive and efficient photo- and electro-catalysts is vital for clean energy applications. Electronic and structural properties can be tuned by the introduction of defects to achieve the desirable electrocatalytic activity. Using first-principles molecular dynamics simulations, the structural, dynamical, and electronic properties of 2D borocarbonitride (h-BCN) sheets have been investigated, highlighting how anti-site defects in B and N doped graphene significantly influence the bandgap, and thereby open up new avenues to tune the chemical behavior of the 2D sheets.

Pseudomonas aeruginosa quorum-sensing molecule N-(3-oxo-dodecanoyl)-L-homoserine lactone triggers mitochondrial dysfunction and apoptosis in neutrophils through calcium signaling.

Pseudomonas aeruginosa is an opportunistic pathogen that utilizes the quorum-sensing (QS) process to regulate the production of different virulence factors and biofilm. N-3-oxo-dodecanoyl-L-homoserine lactone (C12) is a key QS molecule of P. aeruginosa which interacts with the mammalian immune cells and modulates their function.

Electronic Structure of a Semiconducting Imine-Covalent Organic Framework.

Imine COF (covalent organic framework) based on the Schiff base reaction between p-phenylenediamine (PDA) and benzene-1,3,5-tricarboxaldehyde (TCA) was prepared on the HOPG-air (air=humid N ) interface and characterized using different probe microscopies. The role of the molar ratio of TCA and PDA has been explored, and smooth domains of imine COF up to a few μm are formed for a high TCA ratio (>2) compared to PDA. It is also observed that the microscopic roughness of imine COF is strongly influenced by the presence of water (in the reaction chamber) during the Schiff base reaction.

Mechanism underlying N-(3-oxo-dodecanoyl)-L-homoserine lactone mediated intracellular calcium mobilization in human platelets.

Acyl-homoserine lactones (AHLs), are the key autoinducer molecules that mediate Pseudomonas aeruginosa associated quorum sensing. P. aeruginosa produces two types of AHLs; N-(3-oxododecanoyl)-L-homoserine lactone (3-oxo-C HSL) and N-butyryl-L-homoserine lactone (C4 HSL).

Crossed Fused Renal Ectopia with Single Ureter and Single Renal Vein: A Rare Case.

Crossed fused renal ectopia with a single ureter and single renal vein is a rare congenital anomaly in which both the fused kidneys lie on one side of the body. We present an unusual case of crossed fused renal ectopia with a single ureter, single renal vein, and a calculus in a 22-year-old man who presented with lower abdominal pain, burning micturition, and a right-side abdominal lump present for three months. On abdominal ultrasound and non-contrast computed tomography (CT), the left kidney was not visualized in the left renal fossa.

Designing quorum sensing inhibitors of utilizing FabI: an enzymic drug target from fatty acid synthesis pathway.

infections are a leading cause of death in patients suffering from respiratory diseases. The multidrug-resistant nature of is potentiated by a process known as quorum sensing. The aim of this study was to reveal new inhibitors of a well-validated but quite unexplored target, enoyl-ACP reductase, which contributes acyl chain lengths of -acyl homoserine lactones that are major signaling molecules in gram-negative bacteria.

Density Functional Theory Study of Aspirin Adsorption on BCN Sheets and their Hydrogen Evolution Reaction Activity: a Comparative Study with Graphene and Hexagonal Boron Nitride.

We explored the aspirin adsorption and their hydrogen evolution reaction (HER) activity in waste water of borocarbonitride sheets. Our results indicate that BCN sheets considered here show HER activity and exhibit superior performance regarding adsorption of aspirin in waste water in comparison with graphene and hexagonal boron nitride (h-BN). The drug molecule (aspirin) possesses a strong affinity to BCN, with the order of binding energy on following the order BCN∼h-BN>graphene.

Phonons and thermal conducting properties of borocarbonitride (BCN) nanosheets.

Hexagonal borocarbonitrides (BCN) are a class of 2D materials, which display excellent catalytic activity for water splitting. Here, we report the analysis of thermal stability, phonons and thermal conductivity of BCN monolayers over a wide range of temperatures using classical molecular dynamics simulations. Our results show that in contrast to the case of graphene and boron nitride monolayers, the out-of-plane phonons in BCN monolayers induce an asymmetry in the phonon density of states at all temperatures.

Pseudomonas aeruginosa quorum sensing molecule N-3-oxo-dodecanoyl-l-homoserine lactone activates human platelets through intracellular calcium-mediated ROS generation.

Pseudomonas aeruginosa, an opportunistic pathogen release N-3-oxo-dodecanoyl-l-homoserine lactone (3-oxo-CHSL) and N-butyryl-l-homoserine lactone (C-HSL) quorum sensing (QS) molecules to regulate various virulence factors responsible for infection in the host. 3-oxo-C HSL not only regulates the bacterial gene expression but also modulates the host cell system. Thus, it is pertinent to evaluate the effect of these QS molecules on blood platelets which is responsible for the maintenance of hemostasis and thrombus formation.

& study of hypoglycemic potential of heartwood extract.

Total amount of phenols, flavonoids and tannins in methanolic extract of heartwood were found to be 124.4 ± 4.6, 485.

Exploring the impact of parthenolide as anti-quorum sensing and anti-biofilm agent against Pseudomonas aeruginosa.

Aims: Pseudomonas aeruginosa is a well-known pathogen responsible for various infections due to its capability to develop biofilm and various virulent phenotypes that are regulated by quorum sensing. Pathogenesis of the bacteria may be halted by interfering with the signaling molecules and the quorum sensing receptors. Therefore, the present study explores the potential of parthenolide, a sesquiterpene lactone of feverfew plant, as a promising candidate against P.

Bioactive products from singlet oxygen photooxygenation of cannabinoids.

Photooxygenation of Δ tetrahydrocannabinol (Δ-THC), Δ tetrahydrocannabinol (Δ-THC), Δ tetrahydrocannabinolic acid (Δ-THCA) and some derivatives (acetate, tosylate and methyl ether) yielded 24 oxygenated derivatives, 18 of which were new and 6 were previously reported, including allyl alcohols, ethers, quinones, hydroperoxides, and epoxides. Testing these compounds for their modulatory effect on cannabinoid receptors CB and CB led to the identification of 7 and 21 as CB partial agonists with Ki values of 0.043 μM and 0.