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5 articles for “cross-coupling reaction”
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Diaminoglyoxime Palladium (II) Chloride As An Efficient Catalyst for the Suzuki-Miyaura Cross-Coupling Reaction under Aerobic Conditions in H2O/EtOH Solution
Abstract: The preparation of diaminoglyoxime palladium (II) chloride (PdCl2/DAG complex) and the use of this catalytic system in Suzuki-Miyaura cross-coupling reactions under aerobic and phosphine-free conditions in aqueous solutions is studied. Aryl halides, coupled with phenylboronic acids smoothly afford the corresponding cross-coupling products with excellent yields (80–98%). The catalytic system showed excellent performance for the Suzuki-Miyaura cross-coupling reaction of less reactive aryl chlorides with aryl boronic acids. The reaction conditions have …
Published in Journal of Catalyst & Catalysis · Vol. 1, Issue 2, 2014 · pp. 35–43 Read article
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Integrated Computational and Bio-catalytic Transformations: DFT-Guided Mechanistic Insights, Machine Learning, and Nano-biocatalyst Engineering for Sustainable Catalysis
Abstract: Computational catalysis has emerged as a transformative scientific discipline that integrates quantum chemistry, molecular modeling, machine learning, and density functional theory (DFT) to understand catalytic mechanisms and design highly efficient catalytic systems for sustainable industrial applications. The increasing global demand for environmentally responsible chemical manufacturing has accelerated research on advanced catalytic materials including transition metal catalysts, metal–organic frameworks (MOFs), homogeneous catalysts, heterogeneous systems, and bimetallic catalysts involving nickel and iron. …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 36–44 Read article
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Light-Matter Interactions in Molecular Photochemistry
Abstract: Molecular photochemistry explores the ways of molecules interaction with light, absorb photons, and excited‐state processes, and ultimately conversion of photon energy into chemical change. Core concepts of this innovative and relevant field are matter interaction like electronic, vibrational, and rotational transitions; non‐adiabatic couplings; energy & electron transfer; and light–matter coupling in weak and strong regimes. This article briefly surveys the multiplicity of these interactions, from the fundamentals of photon absorption …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 33–42 Read article
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Coupled Magneto–Thermal–Diffusion Transport in an Unsteady Maxwell Polymer Fluid with Activation Energy over a Porous Stretching Surface
Abstract: The present study investigates the combined effects of activation energy and diffusion-thermo (Dufour) processes on unsteady magnetohydrodynamic (MHD) flow, heat, and mass transfer of a Maxwell viscoelastic fluid past a porous exponentially stretching vertical sheet. The electrically conducting and incompressible polymeric fluid flows through a saturated porous medium under a transverse magnetic field. The governing momentum, energy, and concentration equations are transformed into nonlinear ordinary differential equations using similarity transformations …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 581–590 Read article
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Digital Twin Assisted Intelligent Prediction of Polymer Composite Degradation Under Environmental Exposure
Abstract: Polymer matrix composites (PMCs) deployed in aerospace, marine, automotive, and renewable-energy structures are continuously subjected to coupled environmental stressors — ultraviolet (UV) radiation, moisture ingress, thermal cycling, and mechanical loading — that progressively degrade their mechanical performance. Conventional accelerated ageing tests and empirical lifetime models are time-consuming, destructive, and poorly suited to in-service, asset-specific degradation forecasting. This paper proposes a Digital Twin (DT) assisted intelligent prediction framework that fuses a …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article