Yizhou Dong

🔬 We are excited to share a recent publication titled "Experimental study on Na⁺ conductivity in NaAlBr₄ and atomic-scale investigation of Na⁺ conduction" by one of our Matlantis users, shedding light on the ionic conduction properties of NaAlBr₄. This study marks a significant advancement in the exploration of Na⁺ conductivity in alkali Al bromides, an area previously underexplored compared to other metal halides. 📊 The researchers discovered that NaAlBr₄ shows enhanced Na⁺ conductivity at room temperature, notably outperforming its isostructural counterpart, NaAlCl₄. This remarkable conductivity was achieved despite the high energy barriers for creating vacancies and interstitials, suggesting a complex conduction mechanism. 🧩 Using Matlantis's Neural Network Potential (NNP-MD) simulations, the team investigated the atomic-scale pathways of Na⁺ conduction. These simulations suggested that transient defects, introduced through ball milling, play a crucial role in facilitating the Na⁺ movement across the material, providing deeper insights into how Na⁺ conduction may be achieved in NaAlBr₄. 🔍 This study highlights the potential of NaAlBr₄ as a viable solid electrolyte, contributing to the development of safer and more efficient Na-ion batteries. The findings underscore the importance of computational tools in material science, and suggest that further optimization could lead to even greater enhancements in Na⁺ conductivity. For more details, visit the full publication here. https://lnkd.in/g2ncvF7c #MaterialScience #SolidStateBatteries #NeuralNetwork

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https://lnkd.in/gPzpnjBz Latest issue of Springer journal, Foundations of Chemistry, Foundations of Chemistry, volume 26, issue 3 In this issue Editorial EDITORIAL 78 Eric Scerri Laws of nature according to some philosophers of science and according to chemists Eric Scerri The problem of chemical laws Hernan Lucas Accorinti The value of laws in chemistry Vanessa A. Seifert Publisher Correction Correction to: The value of laws in chemistry Vanessa A. Seifert What is the electron density? Sebastian Fortin, Olimpia Lombardi Are there distinct views of chemistry behind the old and the new definition of mole? Elena Ghibaudi, Marco Ghirardi, Alberto Regis Functional realism suggested from the actualization of affordances Hirofumi Ochiai Identity in the nanoworld: processes and contextuality Mariana Córdoba, Fiorela Alassia, Alfio Zambon Relational quantum mechanics, causal composition, and molecular structure Stephen Esser Periodic law, chemical elements and scientific discoveries: considerations from Norwood Hanson and Thomas Kuhn Cristina Spolti Lorenzetti, Anabel Cardoso Raicik, Luiz O. Q. Peduzzi

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Faculty News - The Journal of Physical Chemistry A has released a special Festschrift issue to recognize Distinguished Professor Krishnan Raghavachari and his outstanding contributions to the field of theoretical and computational chemistry. The issue contains sixty-seven articles from friends, colleagues, and former mentees to honor Krishnan as both a researcher and a mentor. The cover was created to depict his broad scientific interests and to reflect the primary areas of research focus in his distinguished scientific carrier. #iubchemistry #ragavacharigroup https://loom.ly/uwQx3qM

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Published in Nature Reviews Chemistry, this recent review highlights intricate chemical transformations catalyzed by metalloenzymes that involve proton-coupled electron transfer. Nitrogenase, photosystem II and ribonucleotide reductase - enzymes involved in some of the most kinetically and thermodynamically challenging processes known - are used as examples. The authors explain how rate-limiting conformational changes often gate the formation of catalytically active states. They clarify the interplay between structural changes and functional outcomes in these essential metalloenzymes. Further analysis is still needed to fully understand these complex processes and the broader implications for biochemistry and environmental science. View the full article at https://lnkd.in/e-BfzPhc

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Happy to share our publication recently appeared in Chem Catalysis on a new biocatalytic strategy for the regio- and stereoselective C(sp3)–H functionalization of indolines via carbene transfer chemistry with engineered heme enzymes! In this work, we demonstrate the development of CYP119-based carbene transferases for the selective alkylation of three different C(sp3)–H sites in indoline substrates with high enantioselectivity, high catalytic efficiency, and regiodivergent selectivity. These systems thus offer a unique and convenient route for diversification of these important organic scaffolds via direct C(sp3)–H functionalization. Using enzyme variants with complementary regioselectivity, a tandem inter- and intramolecular C(sp3)-H carbene insertion sequence could be orchestrated to afford a polycyclic indoline-containing motif found in drugs. Through mechanistic and computational studies, we shed light into the mechanism of this abiological reaction and into structural features responsible for the enzyme-controlled regiodivergent selectivity. Congratulations to graduate students Bo Couture and Ru Cui at The University of Texas at Dallas for this important achievement and big thanks to our computational collaborators Sagar Khare and Yong Zhang and their students Zhuofan Shen and Jia-Min Chu for their great contributions! https://lnkd.in/gPJdM52y

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NEW PUBLICATION 📰 by UYAR Group: An international collaborative publication with Handan Palak (visiting researcher @ Uyar Group) and Prof. Burçak Karagüzel Kayaoğlu from Istanbul Technical University. Handan Palak, Yavuz Akdevelioglu, Mohsen Alishahi, Tamer Uyar, Mohammadreza Nofar, Burçak Karagüzel Kayaoğlu "Cellulose nanocrystal dispersion-ability in polylactides with various molecular weights prepared in dichloromethane/dimethyl sulfoxide solvents for electrospinning applications", International Journal of Biological Macromolecules, Volume 282, Part 5, December 2024, 137263 (https://lnkd.in/g8BDzz6B) Highlights: • CNC dispersion quality in PLAs having different molecular weights was explored using DCM/DMSO solvent blends. • The increase in DMSO content in the solvent blend improved the CNCs dispersion quality in all PLA matrices. • Low molecular weight PLA exhibited better CNC dispersion in solvents blends even at DMSO levels as low as 25 v/v%. • Better-dispersed CNCs more effectively influenced crystal nucletion specially that in low molecular weight PLA. • The introduction of finely dispersed CNC in low molecular weight PLA reduced the diameters of the electrospun fibers. Abstract: In this study, effects of polylactide molecular weight, i.e., high (HPLA), medium (MPLA), low (LPLA), and dichloromethane (DCM)/dimethyl sulfoxide (DMSO) blend ratio on cellulose nanocrystal (CNC) dispersion quality in solution casted PLA/CNC nanocomposites were investigated via small amplitude oscillatory shear rheological analysis, while crystallization behavior, thermal degradation, morphological structure of the nanocomposites were also reported. Due to its low dielectric constant, none of the nanocomposites with 100DCM indicated a change in their complex viscosity as a result of poor CNC dispersion. This is while the increase in DMSO content (50%vv−1) improved CNC dispersion. The superior CNC dispersion-ability in PLAs with lower molecular weight was confirmed. The poorer CNC dispersion in HPLA attributes to hindering effect of higher molecular weight on solvent and nanoparticle diffusion. The better dispersed CNCs influenced crystal nucleation behavior of PLAs and increased crystallinity degree. In addition, the impact of well-dispersed CNCs on fiber formation quality of nanocomposites was reported. Introducing finely dispersed CNCs (1 wt%) in LPLA refined fiber diameters around 1200 nm with more homogenous structure. Besides, the use of 100DCM and the use of DMSO at high contents (50%vv−1) deteriorated fiber formation, respectively, due to low conductivity of DCM and high boiling temperature of DMSO.

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Postdoctoral researcher Bidhan Chandra De (on left) and Illinois chemistry Prof. Angad Mehta and their colleagues found evidence indicating that chloroplasts may have originated as energy-generating organelles and later evolved to support carbon assimilation in plant cells. ➡️ https://lnkd.in/ggrURNVz

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Investigating how conjugation chemistry influences targeted nanoparticles: in their latest work, Michael Zaleski, Jake Brenner at the University of Pennsylvania and collaborators demonstrated that the commonly used conjugation chemistries for antibody-targeted nanoparticles play a direct role in activating the complement cascade of plasma proteins. This complement activation significantly alters nanoparticle biodistribution, leading to up to a 140-fold increase in uptake by lung phagocytes, and causes various toxicities, including a 50% reduction in platelet count https://lnkd.in/eK-7X7zj Their findings underscore the critical importance of conjugation chemistry in advancing nanomedicine, emphasising that it is not without risk and must be carefully designed with consideration for opsonins like complement. An article co-authored by Liam Chase, Elizabeth Hood, Zhicheng Wang, Jia Nong, Carolann Espy, Marco Zamora, Jichuan Wu, Lianne Morrell, Vladimir Muzykantov and Jacob Myerson #Nanomedicines #targeteddelivery #drugdelivery #LNPs #conjugationchemistry #Vesiculab

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Excited to share my recent publication in "The Journal of Physical Chemistry C" entitled "Defect-Mediated Growth of Layered Lateral Bi2Te3-Sb2Te3-Bi2Te3 Heterostructures". This paper explores the versatility of solution based synthesis in designing "Double Shell" nanostructures and provides insights into the screw-dislocation-driven mechanism. Extensive microscopy reveals that defects propagate from template Bi2Te3 to double shell nanostructures of Bi2Te3-Sb2Te3-Bi2Te3 via atom inversion and screw formation, causing the quintuple layers to be perturbed, resulting in a 5-layer 7-layer defect structure.  https://lnkd.in/gkVWTCBa

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https://lnkd.in/dj_4SHk A palladium-catalyzed intramolecular amination enables the synthesis of various 2-aryl-2H-indazoles

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Title: Synthesis of Thermoelectric Nanocomposites by Incorporating Reduced Graphene Oxide https://lnkd.in/ezCYhp5Y Contributors: JYOTI BHATTACHARJEE & Dr. Subhasis Roy, from University of Calcutta Abstract: Thermoelectric energy conversion technology is advancing by leveraging the Seebeck effect to transform waste heat into electricity. Oxide-based thermoelectric materials are particularly attractive due to their excellent figure of merit, chemical and thermal stability, and improved safety compared to chalcogenides. Despite numerous reported high-ZT oxides (ZT>1), maintaining their stability at high temperatures remains a significant challenge. The two-step process here involves blending precursor materials, dissolving them in a solvent, and reacting them to form thermoelectric composites. RGO-doped bismuth titanate nanoparticles were characterized using X-ray Diffraction (XRD) and Field Emission Scanning Electron Microscopy (FESEM). We successfully synthesized high-ZT doped n-type and Ag2Te (p-type) nanostructures via a sol-gel method, achieving uniform microstructures with desirable thermoelectric properties. Ethylene glycol-based graphene was employed as an eco-friendly reducing agent. The synthesis method for nanomaterials incorporating reduced graphene oxide (RGO) as a dopant demonstrated an impressive Seebeck coefficient (S), a notable figure of merit, high carrier mobility (μ), and a promising power factor. RGO-doped bismuth telluride and Ag2Te thin films were deposited onto FTO glass substrates via spin coating for p-type and n-type thermoelectric materials. This research revealed a figure of merit around 1.8*10-4K-1 within the 800-900 K temperature range. We appreciate the authors' publication cooperation and sincerely produce the article with you all. Please feel welcome to read and cite it!

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Review article published: A review on synthetic polypeptide-based blends with other polymers: Emerging trends and advances" Authors: Nanjundaswamy GS, Mahesh B, Alina Sionkowska and Channe Gowda D Abstract This review covers recent developments and progress in synthetic peptide-based polymer blending with other polymers and /or biopolymers as new materials. Considerable sequences of tropoelastin, such as poly(GVGVP), poly(GVGIP), poly(AVGVP), poly(AVGIP), poly[0.8(AVGVP), 0.2(AEGVP)], and other analogous polymer poly(γ-benzyl-L-glutamate), have been considered. The various blend materials of peptide-based polymers need to be summarized as they are necessary for academic and industrial applications, and this review showcases the expansions in the last ten years. The latest publications regarding the preparation and properties of polypeptides and their blends with different polymers have been assessed. A critical comparison of the accessible knowledge in the polypeptide blends domain has been performed. https://lnkd.in/ggNggph6

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https://lnkd.in/eQ5ni9mW Copper aluminate nanoparticles catalyze a multicomponent click reaction between organic azides (generated in situ from epoxides or halides) and terminal aliphatic or aromatic alkynes

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Excited to share our latest publication in #ACSCatalysis! Our new study, "Size Dependent Photocatalytic Activity of Mesoporous ZnIn2S4 Nanocrystal Networks" delves into the vital role that nanostructure size plays in enhancing photocatalytic efficiency. Together with my colleagues Evangelos Andreou, Ioannis Vamvasakis, Andreas Douloumis and Georgios Kopidakis, we systematically investigated how quantum confinement of carriers impacts the electronic structure, charge-transfer dynamics and intrinsic photocatalytic performance of nanoporous metal chalcogenide materials. These findings provide valuable insights for advancing green hydrogen production and solar energy applications. #Nanotechnology #Photocatalysis #HydrogenProduction #MaterialsScience #SolarEnergy #EnergyConversion

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Check out the new article from the Caspian Journal of Energy at the following link: https://lnkd.in/ep8_xBW6 Publisher: Synsint Research Group Editor-in-Chief: Gunel Imanova, Ph.D, Assoc. Prof. #Vacuum_forming #Coating_structure #Heating #Sputtering #Desorption #Ion_insertion

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https://lnkd.in/eiGPGfnM Douglass features Organocatalyzed C-C Ring Construction: The Zhang Synthesis of Sinulochmodin C

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