ScholarSphere: IITJ Research Insights Hub

Biomass sources show great advantages such as large reserves, low CO2 emissions, wide availability and renewability. Combustion for steam/electric power generation was an important route for scale-up energy utilization of biomass sources. Potassium migration and transformation during biomass combustion often caused ash-related issues such as corrosion, fouling, and slagging, which led to great challenges for the long-term and high-efficiency operation of industrial plants. Therefore, a clear understanding of potassium release, transformation, and fixation strategies during biomass combustion based on a systematic review of previous literature is essential. In this review paper, firstly, the actual challenges of biomass combustion and the impacts of potassium release/transformation on industrial plant operation and catalytic performance were elaborated. Then, the occurrence forms, release behavior, and transformation mechanisms of potassium during biomass combustion are thoroughly discussed. Various methods and principles for fixing potassium in ash were summarized in detail, with focusing on the mechanisms, advantages/disadvantages, and applicable conditions of phosphorus/calcium-based additives, aluminosilicate additives, and sulfur-based additives. Lastly, existing research outcomes on fixation strategies are summarized, current research gaps are identified, and future research directions are proposed to provide theoretical support and technical guidance for the efficient and clean utilization of biomass energy. © 2026 The Energy Institute

Comprehending the kinetics of bimolecular nucleophilic substitution (SN2) reactions involving bigger nucleophiles is crucial for linking fundamental model investigations to more intricate organic systems. In this work, classical trajectory simulations were performed for the CH3O− + CH3I reaction across collision energies ranging from 0.4 to 1.6 eV, corresponding to conditions recently explored in velocity-map imaging experiments. Two major reactive pathways were identified: the substitution channel forming I− + CH3OCH3 products and the proton transfer channel producing CH2I− and CH3OH. In the experimental investigation, the proton transfer channel progresses from indirect to direct scattering as collision energy increases, while the SN2 channel has more complex dynamics, characterized by predominantly direct scattering throughout the assessed collision energy range. Both the forward scattering caused by direct stripping and the backward scattering caused by the direct rebound mechanism were observed. The simulations align closely with the experiments on proton-transfer channels, demonstrating a distinct shift towards direct dynamics, as evidenced by an increased proportion of forward-scattered products. In contrast, the SN2 channel predominantly proceeds through a direct rebound mechanism at all collision energies. The scattering angles and energy distributions of the products were calculated, and comprehensive atomic-level reaction mechanisms are presented. This journal is © the Owner Societies, 2026

The building sector consumes vast resources and energy, contributing significantly to environmental degradation. Addressing these challenges requires Building Sustainability Assessment (BSA) methods such as Life Cycle Assessment (LCA), Life Cycle Cost Analysis (LCCA), and Green Building Rating Systems (GBRSs). This paper presents a BIM-BSA framework in the Indian context, integrating Building Information Modeling (BIM) with LCA, LCCA, and the GRIHA-2019 and IGBC rating systems. Dynamo scripting extracts data from BIM models, while Excel VBA macros process it to calculate environmental impacts, life cycle costs, and GBRS scores. The framework also establishes a systematic mapping of GRIHA-2019 and IGBC appraisal/credit points across life cycle phases and sustainability criteria (procedural, environmental, economic, social, and innovation). The framework is validated with an office building in northwestern India, including uncertainty analysis of BSA parameters. Results highlight that the operational phase is the major contributor to environmental impacts and life cycle costs. The building's performance in the GRIHA-2019 and IGBC rating systems is evaluated against the combined lens of LCA and LCCA, a perspective that has been limited in prior literature. Discrepancies are observed between the life cycle distribution of LCA impacts and environmental credit allocations in both GBRSs. Climate sensitivity analysis across five Indian climate zones reveals significant variation in life cycle impacts and costs, while GBRS scores remain nearly unchanged, highlighting limited climate responsiveness. The framework culminates in a comprehensive BSA in the Indian context, providing a decision-support system for evaluating sustainable building design strategies, and also identifies certain limitations in the GRIHA-2019 and IGBC rating systems. © 2025 Elsevier Inc.

Herein, we are demonstrating an earth-abundant manganese-catalyzed oxidative deamination of linear and branched primary amines to selectively form carboxylic acids and ketones using water as the oxygen atom source. A series of pincer and non-pincer Mn complexes were assessed for these deaminative transformations. A bio-inspired DAFO (4,5-diazafluoren-9-one) ligand-based [(DAFO)Mn(CO)3Br] complex (Mn-1) was found to be effective for the reaction proceeding under mildly basic aqueous medium, generating NH3 and H2 as sole by-products without the requirement of any oxidant. An optimized condition of 5 mol% Mn-1, Na2CO3 (1 equiv) at 150°C for 48 h in water/1,4-dioxane mixture furnished 92% of the corresponding benzoic acid from benzylamine. A wide variety of electron-donating and withdrawing para-, meta-, and ortho-substituted benzylamines, including promising hetero and aliphatic linear primary amines, afforded moderate to excellent yield of the desired carboxylate product. We have also examined a few branched primary amines using 5 mol% Mn-1 and catalytic sodium carbonate at 150°C for 48 h, affording good yield of ketones. The reaction was found to be chemo-selective for primary amine moieties over alcohol functionalities. Further, stoichiometric mechanistic investigation and preliminary computational data provide insights into the possible mechanistic steps. © 2026 Wiley-VCH GmbH.

Neurodegenerative disorders such as Parkinson's (PD) and Alzheimer's diseases (AD) are linked with the assembly and accumulation of proteins into structured scaffold called amyloids. These diseases pose significant challenges due to their complex and multifaceted nature. While the primary focus has been on endogenous amyloids, recent evidence suggests that bacterial amyloids may contribute to the development and exacerbation of such disorders. The gut-brain axis is emerging as a communication pathway between bacterial and human amyloids. This review delves into the novel role and potential mechanism of bacterial amyloids in modulating human amyloid formation and the progression of AD and PD.

In the MaxSAT with Cardinality Constraint problem (CC-MaxSAT), we are given a CNF-formula Φ, and a positive integer k, and the goal is to find an assignment β with at most k variables set to true (also called a weight k-assignment) such that the number of clauses satisfied by β is maximized. Maximum Coverage can be seen as a special case of CC-MaxSat, where the formula Φ is monotone, i.e., does not contain any negative literals. CC-MaxSat and Maximum Coverage are extremely well-studied problems in the approximation algorithms as well as the parameterized complexity literature. Our first conceptual contribution is that CC-MaxSat and Maximum Coverage are equivalent to each other in the context of FPT-Approximation parameterized by k (here, the approximation is in terms of the number of clauses satisfied/elements covered). In particular, we give a randomized reduction from CC-MaxSat to Maximum Coverage running in time O(1/ϵ)k · (m + n)O(1) that preserves the approximation guarantee up to a factor of (1 − ϵ). Furthermore, this reduction also works in the presence of “fairness” constraints on the satisfied clauses, as well as matroid constraints on the set of variables that are assigned true. Here, the “fairness” constraints are modeled by partitioning the clauses of the formula Φ into r different colors, and the goal is to find an assignment that satisfies at least tj clauses of each color 1 ≤ j ≤ r. Armed with this reduction, we focus on designing FPT-Approximation schemes (FPT-ASes) for Maximum Coverage and its generalizations. Our algorithms are based on a novel combination of a variety of ideas, including a carefully designed probability distribution that exploits sparse coverage functions. These algorithms substantially generalize the results in Jain et al. [SODA 2023] for CC-MaxSat and Maximum Coverage for Kd,d-free set systems (i.e., no d sets share d elements), as well as a recent FPT-AS for Matroid Constrained Maximum Coverage by Sellier [ESA 2023] for frequency-d set systems.

The technique of micro-exfoliation has gained prominence as a highly effective and adaptable method for exploiting two-dimensional (2D) materials, such as graphene Transition metal dichalcogenides (TMDCs), Borophene, Molybdenum disulfide (MoS2), among others. This paper presents an analysis of optical images and the micro exfoliation technique, focusing on the application to MoS2 and graphene. Additionally, the study investigates the exfoliated sheet of graphene, MoS2, and their hybrid on a (111) crystal plane of silicon wafer. The micro-exfoliation technique employed for MoS2 involves a mechanical process that gently disentangles the layers of MoS2 from the larger crystal structure, resulting in the formation of ultrathin two-dimensional nanosheets. This paper comprehensively analyses the exfoliation processes' mechanisms, emphasizing the intricate relationship between van der Waals forces, interlayer bonding, and external forces. The micro-mechanical exfoliation, a fundamental technique, entails the utilization of adhesive scotch tape to remove monolayers from a large MoS2 crystal delicately. The integration of MoS2 into various applications such as electronics, optoelectronics, sensors, and energy storage devices has been driven by its exceptional properties, including its distinctive electronic, optical, and mechanical characteristics. Furthermore, the ability to adjust the bandgap of MoS2 has created novel opportunities for potential applications in the field of semiconductors. This paper provides a succinct summary of recent studies, that have concentrated on the optical characterization of MoS2 monolayers. Optical and Raman spectroscopy was employed to characterize the 2D sheets of MoS2 and its hybrid materials.