13 papers · ranked by Valyu relevance
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A framework for catalysis based on categorical aperture selection rather than temporal acceleration is presented. Traditional catalysis theory describes catalysts as agents that accelerate reactions by lowering activation energies, implicitly treating time as the fundamental variable and reaction rate enhancement as…
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Process chemistry creates scalable routes for new lead molecules and is a crucial but laborious stage in pharmaceutical and agrochemical development cycles. We have built an automated process chemistry platform that tackles late-stage process development. The modular workflow integrates both industry-standard tools and…
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Background: Pharmaceutical batch production faces significant scheduling challenges due to operational uncertainties including equipment failures, yield variability, and demand fluctuations. While scheduling heuristics are widely used in practice, their comparative performance under varying uncertainty conditions…
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Background: Pharmaceutical batch scheduling in multi-reactor configurations presents complex optimization challenges under operational uncertainty, yet limited research addresses how parallel processing capacity affects heuristic performance and predictive modeling. Objectives: This study investigated scheduling…
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In this study, the M06 global hybrid functional coupled with the 6-311G(d,p) basis set has been employed to systematically investigate the reaction mechanisms and the energetics of the titled reaction having been inspired by the established unique pharmacological attributes of the products, among other scientific…
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Free radical copolymerization, a crucial industrial technique for synthesizing copolymers from a diverse array of monomers with ease, has played a significant role in advancing human society. However, the journey from small-scale research and development to manufacturing has been hindered by a lack of research into…
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Machine olfaction—the artificial replication of the sense of smell—faces significant challenges due to the absence of large, standardized training datasets. Unlike vision, language, and audio models, which benefit from extensive corpora such as ImageNet, GLUE, and AudioSet, olfaction lacks scaled equivalents and…
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This comprehensive review examines the evolution of autonomous materials synthesis laboratories that integrate artificial intelligence with advanced robotics to accelerate discovery. Traditional materials development pipelines typically require 10-20 years, but self-driving laboratories (SDLs) and Materials…
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Metal–organic frameworks (MOFs) represent a versatile class of porous materials, yet efficiently exploring their vast chemical space for target gas adsorption properties remains a major challenge. MOFid, a text-based encoding of MOF structures, has enabled large-scale data mining using natural language processing (NLP)…
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A significant advancement in Merrifield’s classic solid-phase peptide synthesis (SPPS) that greatly expands the scope of accessible peptide structures is reported here. Building upon the one-bead, one-compound concept, this approach enables the simultaneous synthesis of multiple peptides on a single bead, followed by a…
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This study outlines a process simulation for producing biodiesel from waste cooking oil (WCO) using Aspen HYSYS V11. A two-stage Continuous Stirred-Tank Reactor (CSTR) system was designed to operate at 65 °C and 1 atm, with a methanol-to-oil molar ratio used is 6:1 along with 2 wt% KOH as a catalyst. The simulation…
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Catalytic conversion of lignocellulosic biomass offers a route to displace petroleum-derived chemicals with lower-carbon alternatives. In aqueous solvents, acid-catalyzed biomass reactions occur via highly reactive, oxygenated intermediates - where controlling selectivity is challenging due to competing parallel and…
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The capacity to pattern biomolecules within microfluidic devices expands the scope of microfluidic technologies. In such patterned systems, surface-bound components remained localized, while the microfluidic network supplies reagents and removes waste products. This approach has enabled continuous protein expression…