Indian Institute of Technology Bombay

Correlated-electron theory of triplet–triplet multiexciton states in polypentacene

We present correlated-electron calculations of optical spin-singlet and triplet-triplet multiexciton states in three- and four-unit pentacene oligomers as microscopic models for polypentacene. The calculations use the Pariser-Parr-Pople Hamiltonian, multiple-reference singles and...

The Trade‐Off Between Sustainability Reporting Quality and Corporate Investment Activity: Does Political Stability Matter?

ABSTRACT This paper investigates the relationship between sustainability reporting quality (SRQ) and corporate investment activity, focusing on corporate investment intensity and corporate investment inefficiency, and the moderating role of national political stability. Using a m...

Solid-Acid Catalyzed Acylation of Bio-Based Furan to 2-Acetylfuran: Mechanistic Insights into Selectivity Loss and Catalyst Deactivation Kinetics

Abstract Furan is an important biorefinery platform molecule, and its Friedel–Crafts acylation with acetic anhydride (Ac2O) to yield 2-acetylfuran (AF) is a commercially relevant transformation with applications in pharmaceuticals and flavoring. However, developing solid-acid cat...

Particle trapping in vortex crystals

We study the motion of inertial particles in two-dimensional inviscid and viscous vortex crystals, where vortices are placed at the tips of a regular polygon, and determine the conditions under which long-term trapping of particles can occur. In crystals with a central vortex, we...

ArchitectureTutor: An AST-Based Approach for Automated Design Pattern Recognition and Educational Feedback in Python

Understanding and implementing software design patterns is a critical milestone in computer science education and professional software engineering. However, verifying the correct structural implementation of these patterns typically relies on manual code reviews, which are time-...

Linear Viscoelasticity of Semidilute Unentangled Flexible Polymer Solutions

Abstract The linear viscoelastic response of flexible polymer solutions in the dilute and semidilute unentangled regimes is investigated using Brownian dynamics simulations. The relaxation modulus and dynamic moduli are computed over a wide range of concentrations and chain discr...

Oozing characteristics in screw extrusion additive manufacturing

Abstract Additive Manufacturing (AM) is a non-conventional manufacturing process that enables the physical realization of components through layer-by-layer material deposition. Among the different AM techniques, Screw Extrusion Additive Manufacturing (SEAM) uses an extruder screw...

Small Airway Dysfunction Affects One in Five Indian Adolescents: The Multicity APEAL Study

Summary Small airway dysfunction affected one in five adolescents and varied substantially across four Indian cities. Age, sex and study city, but not ambient PM 2.5 or NO 2 , were independently associated with FEF 25–75 .

Earliest simultaneous multi-color optical observations of GRB 230328B: from 41 seconds to the host-galaxy identification

Abstract We present a multiwavelength study of the long-duration gamma-ray burst GRB 230328B, combining prompt γ-ray observations with exceptionally early simultaneous optical photometry and extensive X-ray, radio, and host-galaxy follow-up. NUTTELA-TAO began simultaneous g′r′i′...

A Descriptor and Tool for Guiding Composition Design toward Developing Single- or Mixed/Hybrid-Phase “Layered” Transition Metal Oxide Cathode Materials for Na-Ion Batteries

Abstract The structure type and phase assemblage of “layered” Na-transition metal (TM) oxides dictate their performance as cathode materials, resulting in an impetus toward developing biphasic or hybrid Na-TM-oxides. However, a fundamental understanding as to what drives the form...

Unitary quantum matter-bounce in a universe with a positive cosmological constant

Abstract We analyze the Wheeler-DeWitt quantization of a spatially flat Friedmann–Lemaïtre–Robertson–Walker universe containing pressureless dust and a positive cosmological constant ( $$\Lambda &gt; 0$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi...

Strong and Weak Quantitative Estimates in Slow-Fast Diffusions Using Filtering Techniques

Abstract. The behavior of slow-fast diffusions as the separation of scale diverges is a well-studied problem in the literature. In this short paper, we revisit this problem and obtain a new proof of existing strong quantitative convergence estimates (in particular, [Formula: see...

Impact of α-substitution on the photodissociation dynamics of nitromethane: The CH3 and NO release channels

Photolysis of 1-nitropropane, 2-methyl-2-nitropropane, and (nitromethyl)benzene at 213 and 225 nm reveals distinct mechanistic features in CH3 and NO elimination channels. The CH3 fragments exhibit anisotropic, non-statistical translational energy distributions, consistent with b...

AllostericInhibitors of Erythromycin Resistance MethyltransferaseReverse Antibiotic Resistance

Abstract Methylation of a critical adenine residue of the 23S rRNA residing in the nascent exit tunnel of the bacterial ribosome, by Erythromycin resistant methyltransferases (Erms), reduces binding of macrolide, lincosamide, and streptogramin B (MLSB) class of antibiotics and co...

Brick kilns across India: A temporal analysis of brick kiln distribution and technology types

Thousands of brick kilns operate across India, significantly contributing to air pollution and CO 2 emissions due to outdated practices and non-compliance with environmental standards. Regulations promoting cleaner kiln technologies have been introduced, yet detailed information...

Ethylene‐Mediated Template‐Free, Enyne Metathesis Gives Macrolactone 1,3‐Dienes: Synthesis of Polvolide and Muscolide From Renewable Feedstocks

A template‐free, stereodefined strategy for the synthesis of macrocyclic 1,3‐diene lactones from renewable feedstocks derived from castor and oleic oils is reported. An endo ‐selective ring‐closing ethylene‐mediated enyne metathesis (RCEYM) proceeds with complete E ‐selectivity a...

A Discrete Dislocation Dynamics Study of Prior Particle Boundary Effects in Ni-based Superalloys

Abstract Ni-based superalloys produced via powder metallurgy (PM) undergo hot isostatic pressing (HIP) and subsequent forming operations, during which prior particle boundaries (PPBs) are formed and only partially eliminated. The residual PPB clusters strongly influence the mecha...