492 results match your criteria: "Davidson School of Chemical Engineering[Affiliation]"

Cancer immunotherapy, specifically Chimeric Antigen Receptor (CAR)-T cell therapy, represents a significant breakthrough in treating cancers. Despite its success in hematological cancers, CAR-T exhibits limited efficacy in solid tumors, which account for more than 90% of all cancers. Solid tumors commonly present unique challenges, including antigen heterogeneity and complex tumor microenvironment (TME).

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Metal halide perovskites show promise for next-generation light-emitting diodes, particularly in the near-infrared range, where they outperform organic and quantum-dot counterparts. However, they still fall short of costly III-V semiconductor devices, which achieve external quantum efficiencies above 30% with high brightness. Among several factors, controlling grain growth and nanoscale morphology is crucial for further enhancing device performance.

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Propane Activation on Pt Electrodes at Room Temperature: Quantification of Adsorbate Identity and Coverage.

Angew Chem Int Ed Engl

December 2024

Davidson School of Chemical Engineering, Purdue University, Forney Hall of Chemical Engineering, 480 Stadium Mall Drive, West Lafayette, IN 47907-2100, USA.

C-H bond activation is the first step in manufacturing chemical products from readily available light alkane feedstock and typically proceeds via carbon-intensive thermal processes. The ongoing emphasis on decarbonization via electrification motivates low-temperature electrochemical alternatives that could lead to sustainable chemicals production. Platinum (Pt) electrocatalysts have shown activity towards reacting alkanes; however, little is known about propane electrocatalytic activation and conditions suitable for enabling selective oxidation to valuable products.

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Recently, chalcogenide perovskites, of the form ABX, where typically A = alkaline earth metals Ca, Sr, or Ba; B = group IV transition metals Zr or Hf; and X = chalcogens S or Se, have become of interest for their potential optoelectronic properties. In this work, we build upon recent studies and show a general synthesis protocol, involving the use of carbon disulfide insertion chemistry, to generate highly reactive precursors that can be used towards the colloidal synthesis of numerous ABS nanomaterials, including BaTiS, BaZrS, BaHfS, α-SrZrS and α-SrHfS. We overcome the shortcomings in the current literature where BaZrS nanoparticles are synthesized in separate phases colloidal methods and lack a reproducible protocol for orthorhombic perovskite nanoparticles.

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Acid Catalysis Mediated by Aqueous Hydronium Ions Formed by Contacting Zeolite Crystals with Liquid Water.

J Am Chem Soc

December 2024

Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.

Zeolites are crystalline microporous aluminosilicates widely used as solid acids in catalytic routes to clean and sustainable energy carriers and chemicals from biogenic and fossil feedstocks. This study addresses how zeolites act as weak polyprotic acids and dissociate to form extra-crystalline hydronium (HO) ions in liquid water. The extent of their dissociation depends on the energy required to form the conjugate framework anions, which becomes unfavorable as the extent of dissociation increases intracrystalline charge densities because repulsive interactions ultimately preclude the detachment of all protons as catalytically relevant HO(aq) ions.

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Large property models: a new generative machine-learning formulation for molecules.

Faraday Discuss

September 2024

Department of Chemical and Biomolecular Engineering, The University of Notre Dame, Notre Dame, Indiana, USA.

Article Synopsis
  • Generative models for designing molecules have not shown significant improvements over traditional expert intuition, particularly in predicting specific properties due to limited data availability.
  • A major challenge is that there are often very few samples for desired properties, making it hard to accurately map properties to molecular structures.
  • The authors propose that providing multiple properties during training can enhance the accuracy of generative models, leading to new models they call "large property models" (LPMs) which incorporate a wealth of available chemical property data to improve predictions.
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Article Synopsis
  • - The study focuses on hybrid organic-inorganic semiconductors that can be fine-tuned to manipulate electron-phonon interactions for various applications in electronics and quantum materials.
  • - The researchers discovered that lead organic chalcogenides (LOCs) display long-lived coherent phonons with remarkable harmonic behavior, leading to better phonon manipulation compared to traditional halide perovskites.
  • - The findings suggest that the phonon dephasing time in LOCs can be adjusted through designing organic ligands, paving the way for advancements in controlling electronic properties in hybrid semiconductors.
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Exciton Dynamics in Layered Halide Perovskite Light-Emitting Diodes.

Adv Mater

November 2024

Davidson School of Chemical Engineering, Purdue University, West Lafayette, IN, 47907, USA.

Layered halide perovskites have garnered significant interest due to their exceptional optoelectronic properties and great promises in light-emitting applications. Achieving high-performance perovskite light-emitting diodes (PeLEDs) requires a deep understanding of exciton dynamics in these materials. This review begins with a fundamental overview of the structural and photophysical properties of layered halide perovskites, then delves into the importance of dimensionality control and cascade energy transfer in quasi-2D PeLEDs.

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Spintronic Pathways in a Nonconjugated Radical Polymer Glass.

Adv Mater

November 2024

Charles D. Davidson School of Chemical Engineering, Purdue University, 480 W. Stadium Ave, West Lafayette, IN, 47907, USA.

Radical chemistries have attracted burgeoning attention due to their intriguing technological applications in organic electronics, optoelectronics, and magneto-responsive systems. However, the potential of these magnetically active glassy polymers to transport spin-selective currents has not been demonstrated. Here, the spin-transport characteristics of the radical polymer poly(4-glycidyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl) (PTEO) allow for sustained spin-selective currents when incorporated into typical device geometries with magnetically polarized electrodes.

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Maintaining undifferentiated states of human pluripotent stem cells (hPSCs) is key to accomplishing successful hPSC research. Specific culture conditions, including hPSC-compatible substrates, are required for the hPSC culture. Over the past two decades, substrates supporting hPSC self-renewal have evolved from undefined and xenogeneic protein components to chemically defined and xenogeneic-free materials.

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Model for the Shape of the Relaxation Spectrum in Glass Formers.

J Phys Chem B

November 2024

Davidson School of Chemical Engineering, Purdue University, 480 Stadium Mall Drive, West Lafayette, Indiana 47907, United States.

Traditionally the broadness of the spectrum of the relaxation times observed in glass-forming materials has been rationalized by local heterogeneity, where a variety of atomistic environments leads to spectrum of single-exponential relaxation responses. However, the assumption of heterogeneity can break down when tested against the shape of the relaxation spectrum. An alternative homogeneous scenario assumes that the relaxation is inherently multiexponential.

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The atomic force microscope (AFM), as it is able to characterize surface topography as well determine the AFM cantilever tip-surface force, proves effective at estimating the value of the Hamaker constant, , for a given solid material. Two main AFM-based methods have been proposed for estimating values of . In the approach-to-contact (AtC) method, Hamaker constants are inferred from the deflections at which the AFM tip first jumps into contact with the substrate.

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Concentrated C Alcohol Production Enabled by Post-Intermediate Modulation and Augmented CO Adsorption in CO Electrolysis.

J Am Chem Soc

November 2024

Department of Civil and Environmental Engineering and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544, United States.

The electrocatalytic synthesis of multicarbon products from CO/CO feedstock represents a sustainable method for chemical production with a reduced carbon footprint. Traditional copper catalysts predominantly produce alkenes, but generating valuable and versatile C alcohols, especially high-energy-density C alcohols, has been challenging due to issues with selectivity, activity, and stability. Here, we present the construction of Ru-doped Cu nanowires that enhance the selectivity of -PrOH and C alcohols.

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Despite the outstanding electric properties and cost-effectiveness of poly(3,4-ethylenedioxythiophene) (PEDOT) and its derivatives, their performance as hole transport layer (HTL) materials in conventional perovskite solar cells (PSCs) has lagged behind that of widely used spirobifluorene-based molecules or poly(triaryl amine). This gap is mainly from their poor solubility and energy alignment mismatch. In this work, the design and synthesis of a pyrrole-modified HTL (PPr) based on 3,4-propylenedioxythiophene (ProDOT) are presented for efficient and stable PSCs.

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Layered double hydroxide (LDH) nanoparticles enable foliar delivery of genetic material, herbicides, and nutrients to promote plant growth and yield. Understanding the foliar uptake route of nanoparticles is needed to maximize their effectiveness and avoid unwanted negative effects. In this study, we investigated how delivering layered double hydroxide ( = 37 ± 1.

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The recent discovery of highly conductive, solution-processable, n-doped poly(benzodifurandione) (n-PBDF) marks a milestone in the development of conducting polymers. Currently, n-PBDF is prepared by either duroquinone-mediated or copper-catalyzed polymerizations, where scalability and cost-effectiveness may present challenges. Here, we report a general, scalable, and cost-effective method for n-PBDF and its derivatives, namely selenium dioxide (SeO) catalyzed polymerization.

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Collagen (Col) is commonly used as a natural biomaterial for biomedical applications. Although Col I is the most prevalent col type employed, many collagen types work together in vivo to confer function and biological activity. Thus, blending collagen types can better recapitulate many native environments.

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Modeling enzyme competition in eicosanoid metabolism in macrophage cells using a cybernetic framework.

J Lipid Res

December 2024

The Davidson School of Chemical Engineering, Purdue University, West Lafayette, IN, USA. Electronic address:

Article Synopsis
  • * Cybernetic modeling is a technique that simulates regulatory mechanisms in cellular metabolism, specifically examining how arachidonic acid (AA) and eicosapentaenoic acid (EPA) compete for the cyclooxygenase (COX) enzyme, which affects inflammatory responses.
  • * This study validated a cybernetic model that accurately predicts how AA and EPA levels influence inflammation in macrophages, showcasing a shift from a pro-inflammatory state to an anti-inflammatory state with EPA-supplementation and providing insights into concentrations needed for this transition.
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Hybrid metal halide perovskite (MHP) materials, while being promising for photovoltaic technology, also encounter challenges related to material stability. Combining 2D MHPs with 3D MHPs offers a viable solution, yet there is a gap in the understanding of the stability among various 2D materials. The mechanical, ionic, and environmental stability of various 2D MHP ligands are reported, and an improvement with the use of a quater-thiophene-based organic cation (4TmI) that forms an organic-semiconductor incorporated MHP structure is demonstrated.

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Article Synopsis
  • - The study introduces a technique called four-dimensional (4D) scanning transmission electron microscopy (STEM) to analyze nanoscale ordering in disordered organic semiconducting polymers, which is critical for understanding their properties.
  • - By utilizing advanced nanodiffraction patterns and reconstruction methods, researchers were able to visualize the ordered domains in materials like P3HT and IDTBT, allowing for detailed measurement of molecular stacking and orientation.
  • - The results revealed a clear correlation between the type and size of molecular ordering in the samples, with various analyses providing insights into the molecular structures and changes that occur when fullerenes are added to P3HT.
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Advances and challenges in designing active site environments in zeolites for Brønsted acid catalysis.

Chem Commun (Camb)

October 2024

Davidson School of Chemical Engineering, Purdue University, West Lafayette, IN, 47907, USA.

Zeolites contain proton active sites in diverse void environments that stabilize the reactive intermediates and transition states formed in converting hydrocarbons and oxygenates to chemicals and energy carriers. The catalytic diversity that exists among active sites in voids of varying sizes and shapes, even within a given zeolite topology, has motivated research efforts to position and quantify active sites within distinct voids (synthesis-structure) and to link active site environment to catalytic behavior (structure-reactivity). This Feature Article describes advances and challenges in controlling the position of framework Al centers and associated protons within distinct voids during zeolite synthesis or post-synthetic modification, in identifying and quantifying distinct active site environments using characterization techniques, and in determining the influence of active site environments on catalysis.

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We present a systematic and automatic approach for integrating tableting reduced-order models with upstream unit operations. The approach not only identifies the upstream critical material attributes and process parameters that describe the coupling to the first order and, possibly, the second order, but it also selects the mathematical form of such coupling and estimates its parameters. Specifically, we propose that the coupling can be generally described by normalized bivariate rational functions.

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Background/objectives: Transgene applications, ranging from gene therapy to the development of stable cell lines and organisms, rely on maintaining the expression of transgenes. To date, the use of plasmid-based transgenes has been limited by the loss of their expression shortly after their delivery into the target cells. The short-lived expression of plasmid-based transgenes has been largely attributed to host-cell-mediated degradation and/or silencing of transgenes.

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Arsenic (As) and lead (Pb) are environmental pollutants found in common sites linked to similar adverse health effects. This study determined driving factors of neurotoxicity on the developing cerebral vasculature with As and Pb mixture exposures. Cerebral vascular toxicity was evaluated at mixture concentrations of As and Pb representing human exposures levels (10 or 100 parts per billion; ppb; µg/L) in developing zebrafish by assessing behavior, morphology, and gene expression.

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Deterministic Synthesis of a Two-Dimensional MAPbI Nanosheet and Twisted Structure with Moiré Superlattice.

J Am Chem Soc

October 2024

Davidson School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47907, United States.

The synthesis of extremely thin 2D halide perovskites and the exploration of their interlayer interactions have garnered significant attention in current research. A recent advancement we have made involves the development of a successful technique for generating ultrathin MAPbI nanosheets with controlled thickness and an exposed intrinsic surface. This innovative method relies on utilizing the Ruddlesden-Popper (RP) phase perovskite (BAMAPbI) as a template.

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