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arXiv 2024年

作者： Singh, Harpreet D’Souza, Noella Zhong, Keyuan Druga, Emanuel Oshiro, Julianne Blankenship, Brian Montis, Riccardo Reimer, Jeffrey A. Breeze, Jonathan D. Ajoy, Ashok Department of Chemistry University of California Berkeley BerkeleyCA94720 United States Department of Physics Guru Nanak Dev University Punjab Amritsar143005 India Chemical Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Department of Chemical and Biomolecular Engineering University of California BerkeleyCA94720 United States Department of Pure and Applied Science University of Urbino Carlo Bo UrbinoI-61029 Italy Materials Science Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Department of Physics & Astronomy University College London Gower Street LondonWC1E 6BT United Kingdom CIFAR Azrieli Global Scholars Program 661 University Ave TorontoONM5G 1M1 Canada

Quantum sensors have notably advanced high-sensitivity magnetic field detection. Here, we report quantum sensors constructed from polarized spin-triplet electrons in photoexcited organic chromophores, specifically focusing on pentacene-doped para-terphenyl (≈0.1%). We demonstrate essential quantum sensing properties at room temperature (RT): optically-generated electronic polarization and state-dependent fluorescence contrast, by leveraging differential pumping and relaxation rates between triplet and ground states. We measure high optically-detected magnetic resonance (ODMR) contrast ≈16.8% of the triplet states at RT, along with long coherence times under spin echo and CPMG sequences, T2=2.7μs and T2DD=18.4μs, respectively, limited only by the triplet lifetimes. The material offers several advantages for quantum sensing, including the ability to grow large (cm-scale) crystals at low cost, absence of paramagnetic impurities, and electronic diamagnetism when not optically illuminated. Utilizing pentacene as a representative of a broader class of spin triplet- polarizable organic molecules, this study highlights new potential for quantum sensing in chemical systems. © 2024, CC BY.

关键词： Crystal impurities

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Sensing fugitive hydrogen emissions

Nature Reviews Electrical Engineering

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Nature Reviews Electrical engineering 2024年第4期1卷 210-211页

作者： Yichen Cai Kuo-Wei Huang Sudipta Chatterjee Khaled N. Salama Lain-Jong Li Chemistry Program Division of Physical Sciences and Engineering and KAUST Catalysis Center King Abdullah University of Science and Technology Thuwal Saudi Arabia Agency for Science Technology and Research Institute of Materials Research and Engineering and Institute of Sustainability for Chemicals Energy and Environment Singapore Singapore Department of Chemistry Birla Institute of Technology and Science − Pilani K.K. Birla Goa Campus Zuarinagar India Advanced Membranes and Porous Materials Center and Division of Computer Electrical and Mathematical Science and Engineering King Abdullah University of Science and Technology Thuwal Saudi Arabia Department of Mechanical Engineering University of Hong Kong Hong Kong P. R. China

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Polarization entanglement enabled by orthogonally stacked van der Waals NbOCl2 crystals

arXiv

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arXiv 2024年

作者： Guo, Qiangbing Wu, Yun-Kun Zhang, Di Zhang, Qiuhong Guo, Guang-Can Alù, Andrea Ren, Xi-Feng Qiu, Cheng-Wei Department of Electrical and Computer Engineering National University of Singapore Singapore Singapore Centre for Advanced 2D Materials Graphene Research Centre National University of Singapore Singapore Singapore CAS Key Laboratory of Quantum Information CAS Synergetic Innovation Center of Quantum Information & Quantum Physics University of Science and Technology of China Hefei China Hefei National Laboratory University of Science and Technology of China Hefei China Photonics Initiative Advanced Science Research Center City University of New York New York United States Physics Program Graduate Center City University of New York New York United States The Key Laboratory of Weak-Light Nonlinear Photonics Ministry of Education School of Physics TEDA Applied Physics Institute Nankai University Tianjin China School of Chemistry and Materials Science Hangzhou Institute for Advanced Study University of Chinese Academy of Sciences Hangzhou China

Polarization entanglement holds significant importance for photonic quantum technologies. Recently emerging subwavelength nonlinear quantum light sources, e.g., GaP and LiNbO3 thin films, benefiting from the relaxed phase-matching constraints and volume confinement, has shown intriguing properties, such as high-dimensional hyperentanglement and robust entanglement anti-degradation. Van der Waals (vdW) NbOCl2 crystal, renowned for its superior optical nonlinearities, has emerged as one of ideal candidates for ultrathin quantum light sources [Nature 613, 53 (2023)]. However, polarization-entanglement is inaccessible in NbOCl2 crystal due to its unfavorable nonlinear susceptibility tensor. Here, by leveraging the twist-stacking degree of freedom inherently in vdW systems, we showcase the preparation of tunable polarization entanglement and quantum Bell states. Our work not only provides a new and tunable polarization-entangled vdW photon-pair source, but also introduces a new knob in engineering the entanglement state of quantum light at the nanoscale. © 2024, CC BY-NC-ND.

关键词： Van der Waals forces

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Revisiting ligand-exchange chromatography for valsartan chiral analysis using a conventional non-chiral column

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Journal of Pharmaceutical sciences 2025年第7期114卷 103797页

作者： Tho, Chanbopha Kerwin, Sean M. Jamnongtanachot, Promporn Vongsutilers, Vorasit Tuesuwan, Bodin Pharmaceutical Sciences and Technology Program Faculty of Pharmaceutical Sciences Chulalongkorn University Bangkok 10330 Thailand Department of Food and Pharmaceutical Chemistry Faculty of Pharmaceutical Sciences Chulalongkorn University Bangkok 10330 Thailand Materials Science Engineering and Commercialization Program Texas State University San Marcos 78666 TX United States Visatchana Consulting Co. Ltd. Bangkok 10230 Thailand

As the chiral drug market grows, developing efficient separation methods while ensuring quality has become a key focus for the pharmaceutical industries. Chiral column chromatography is effective but often impractical due to its expense. In our research, we established a cost-effective chiral analysis method for valsartan using ligand-exchange chromatography (LEC), an underutilized yet promising analytical technique with significant potential for further development in pharmaceutical research. This approach allows separation on a non-chiral column by forming complexes with metal ions in the mobile phase. Valsartan, a widely used antihypertensive drug, and its enantiomeric impurity were analyzed through LEC on a C₁₈ column. We optimized the conditions for chiral selectors, copper ions, and pH, achieving a resolution exceeding 2.7. The method, validated per ICH Q2(R1) guidelines for assay and impurity determination, exhibited outstanding linearity (r² > 0.999) and recovery (97.8 %–101.7 %), ensuring a complete separation of the target peak, even after forced degradation. LEC presents a cost-effective alternative for in-house chiral drug analysis, addressing the challenges posed by limited access to chiral columns in countries focused on local generic drug production, and offering a practical solution to the increasing global demand for efficient chiral separation. © 2025 American Pharmacists Association

关键词： Analytical Chemistry Chromatography HPLC Liquid Chromatography (LC) United States Pharmacopeia (USP)

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Core packing of well-defined x-ray and NMR structures is the same

arXiv

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arXiv 2022年

作者： Grigas, Alex T. Liu, Zhuoyi Regan, Lynne O’Hern, Corey S. Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Institute of Quantitative Biology Biochemistry and Biotechnology Centre for Synthetic and Systems Biology School of Biological Sciences University of Edinburgh United Kingdom Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by x-ray crystallography. A fundamental question is whether any observed differences are due to differing methodologies, or to differences in the behavior of proteins in solution versus in the crystalline state. Here, we compare the properties of the hydrophobic cores of high-resolution protein crystal structures and those in NMR structures, determined using increasing numbers and types of restraints. Prior studies have reported that many NMR structures have denser cores compared to those of high-resolution x-ray crystal structures. Our current work investigates this result in more detail, and finds that these NMR structures tend to violate basic features of protein stereochemistry, such as small non-bonded atomic overlaps and few Ramachandran and side chain dihedral angle outliers. We find that NMR structures solved with more restraints, and which do not significantly violate stereochemistry, have hydrophobic cores that have a similar size and packing fraction as their counterparts determined by x-ray crystallography at high-resolution. These results lead us to conclude that, at least regarding the core packing properties, high-quality structures determined by NMR and x-ray crystallography are the same, and the differences reported earlier are most likely a consequence of methodology, rather than fundamental differences between the protein in the two different environments. Significance: Dense packing of hydrophobic residues is key to protein structure and stability. Previously, it has been noted that structures solved by NMR spectroscopy have denser cores than x-ray crystal structures. Here, we calculate the core size and packing fraction of NMR structures with experimental restraints in the PDB. Their cores are typically smaller, but denser. However, NMR structures with accurate stereochemistry possess core pa

关键词： X ray crystallography

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The Cytokine and Bone Protein Expression by Ellagic Acid-Hydroxyapatite in Bone Remodelling Model

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Scientific World Journal 2022年第1期2022卷 6740853页

作者： Primasari, Dyah Noviana Nirwana, Intan Budi, Hendrik Setia Wardhana, Agung Satria Sari, Annisa Fitria Novita, Novita Setyawan, Andika Putri Surboyo, Meircurius Dwi Condro Shariff, Khairul Anuar Department of Dental Materials Faculty of Dental Medicine Institute of Health Sciences Bhakti Wiyata Kediri Indonesia Department of Dental Materials Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Oral Biology Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Dental Materials Faculty of Dental Medicine Universitas Lambung Mangkurat Banjarmasin Indonesia Magister of Dental Science Program Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Dental Science Program Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Oral Medicine Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Biomaterial Niche Area School of Materials and Mineral Resource Engineering Universiti Sains Malaysia Pulau Pinang Malaysia

Objective. Ellagic acid, a phenolic compound with anti-inflammatory potential, can be used to accelerate the bone healing process and affect human health, while hydroxyapatite is the most commonly used bone graft material. Using a combination of the two materials results in reduced inflammation and increased osteogenesis. This study aimed to determine the effects of combining ellagic acid and hydroxyapatite in bone marker remodelling by analysing the expression of tumour necrosis factor-α (TNF-α), interleukin 10 (IL-10), bone morphogenetic 4 protein (BMP-4), and osteopontin (OPN). Methods. Thirty Wistar rats were used in the study. A defect was created in each animal's femur using a low-speed diamond bur. In the control group, the bone was then treated with polyethylene glycol (PEG). In one of the other groups, the bone was treated with hydroxyapatite, and in the other, with ellagic acid-hydroxyapatite. The femur was biopsied 7 days after the procedure and again 14 days after the procedure, and an indirect immunohistochemical (IHC) examination was performed for TNF-α, IL-10, BMP-4, and OPN expression. Results. The ellagic acid-hydroxyapatite decreased TNF-α expression in the bone tissue after 7 days and again after 14 days (p < 0.05). On the other hand, it increased IL-10, BMP-4, and OPN expression (p < 0.05) during the same time periods. Conclusion. Ellagic acid-hydroxyapatite plays a role in bone marker remodelling by decreasing the expression of TNF-α and increasing the expression of IL-10, BMP-4, and OPN. This hydroxyapatite combination can therefore be recommended for use as bone graft material. © 2022 Dyah Noviana Primasari et al.

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Microstructure and composition engineering Yb single-filled CoSb_(3) for high thermoelectric and mechanical performances

引用

Journal of Materiomics 2019年第4期5卷 702-710页

作者： Zhenxing Zhou Matthias T.Agne Qihao Zhang Shun Wan Qingfeng Song Qing Xu Xiaofang Lu Shijia Gu Yuchi Fan Wan Jiang Gerald Jeffrey Snyder Lianjun Wang State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringDonghua UniversityShanghai201620China Department of Materials Science and Engineering Northwestern UniversityEvanstonIL60208USA State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai200050China Center for High Pressure Science and Technology Advanced Research(HPSTAR) Shanghai201203China University of Chinese Academy of Sciences 19 Yuquan RoadBeijing100049China Institute of Functional Materials Donghua UniversityShanghai201620China School of Material Science and Engineering Jingdezhen Ceramic InstituteJindezhen333000China

A broad tunability of the thermoelectric and mechanical properties of CoSb_(3) has been demonstrated by adjusting the composition with the addition of an increasing number of ***,such a strategy may negatively impact processing repeatability and composition *** this work,singleelement-filled skutterudite is engineered to have high thermoelectric and mechanical *** Yb filling fraction is found to increase phonon scattering,whereas cryogenic grinding contributes additional microstructural scattering.A peak zT of 1.55 and an average zT of about 1.09,which is comparable to the reported results of multiple-filled SKDs,are realized by the combination of simple composition and microstructure ***,the mechanical properties of Yb single-filled CoSb_(3) skutterudite are improved by manipulation of the microstructure through cryogenic *** findings highlight the realistic prospect of producing high-performance thermoelectric materials with reduced compositional complexity.

关键词： Skutterudites Thermoelectric material Compositional complexity Microstructure engineering Cryogenic grinding

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Sensors Innovations for Smart Lithium-Based Batteries: Advancements, Opportunities, and Potential Challenges

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Nano-micro letters 2025年第1期17卷 279页

作者： Jamile Mohammadi Moradian Amjad Ali Xuehua Yan Gang Pei Shu Zhang Ahmad Naveed Khurram Shehzad Zohreh Shahnavaz Farooq Ahmad Balal Yousaf Institute for Advanced Materials School of Materials Science and Engineering Jiangsu University Zhenjiang 212013 People's Republic of China. Department of Thermal Science and Energy Engineering University of Science and Technology of China Hefei 230027 People's Republic of China. College of Materials Science and Engineering Nanjing Forestry University Nanjing 210037 People's Republic of China. Co-Innovation Center of Efficient Processing and Utilization of Forest Resources College of Materials Science and Engineering Nanjing Forestry University Nanjing 210037 People's Republic of China. Institute for Advanced Materials School of Materials Science and Engineering Jiangsu University Zhenjiang 212013 People's Republic of China. xhyan@***. School of Materials Science and Engineering Jiangsu University Zhenjiang 212013 People's Republic of China. xhyan@***. Department of Thermal Science and Energy Engineering University of Science and Technology of China Hefei 230027 People's Republic of China. peigang@***. College of Materials Science and Engineering Nanjing Forestry University Nanjing 210037 People's Republic of China. s.zhang@***. Co-Innovation Center of Efficient Processing and Utilization of Forest Resources College of Materials Science and Engineering Nanjing Forestry University Nanjing 210037 People's Republic of China. s.zhang@***. School of Materials Science and Engineering Jiangsu University Zhenjiang 212013 People's Republic of China. Institute of Physics Silesian University of Technology Konarskiego 22B 44-100 Gliwice Poland. Micro and Nano-Technology Program School of Natural and Applied Sciences Middle East Technical University 06800 Ankara Turkey. Department of Technologies and Installations for Waste Management Faculty of Energy and Environmental Engineering Silesian University of Technology 44-100 Gliwice Poland.

Lithium-based batteries (LiBs) are integral components in operating electric vehicles to renewable energy systems and portable electronic devices, thanks to their unparalleled energy density, minimal self-discharge rates, and favorable cycle life. However, the inherent safety risks and performance degradation of LiB over time impose continuous monitoring facilitated by sophisticated battery management systems (BMS). This review comprehensively analyzes the current state of sensor technologies for smart LiBs, focusing on their advancements, opportunities, and potential challenges. Sensors are classified into two primary groups based on their application: safety monitoring and performance optimization. Safety monitoring sensors, including temperature, pressure, strain, gas, acoustic, and magnetic sensors, focus on detecting conditions that could lead to hazardous situations. Performance optimization sensors, such as optical-based and electrochemical-based, monitor factors such as state of charge and state of health, emphasizing operational efficiency and lifespan. The review also highlights the importance of integrating these sensors with advanced algorithms and control approaches to optimize charging and discharge cycles. Potential advancements driven by nanotechnology, wireless sensor networks, miniaturization, and machine learning algorithms are also discussed. However, challenges related to sensor miniaturization, power consumption, cost efficiency, and compatibility with existing BMS need to be addressed to fully realize the potential of LiB sensor technologies. This comprehensive review provides valuable insights into the current landscape and future directions of sensor innovations in smart LiBs, guiding further research and development efforts to enhance battery performance, reliability, and safety. Integration of advanced sensor technologies for smart LiBs: integrating non-optical multi-parameter, optical-based, and electrochemical sensors within the BMS to a

关键词： Battery management systems Lithium-based batteries Sensors State of charge State of health Thermal runaway

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Widely Tunable Berry curvature in the Magnetic Semimetal Cr1+δTe2

arXiv

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arXiv 2022年

作者： Fujisawa, Y. Pardo-Almanza, M. Hsu, C.H. Mohamed, A. Yamagami, K. Krishnadas, A. Chuang, F.C. Khoo, K.H. Zang, J. Soumyanarayanan, A. Okada, Y. Okinawa904-0495 Japan Department of Physics National Sun Yat-Sen University Kaohsiung80424 Taiwan Physics Division National Center for Theoretical Sciences Taipei10617 Taiwan Department of Physics National Tsing Hua University Hsinchu30013 Taiwan Institute of High Performance Computing Agency for Science Technology and Research 138632 Singapore Department of Physics and Astronomy University of New Hampshire DurhamNH03824 United States Materials Science Program University of New Hampshire DurhamNH03824 United States Department of Physics National University of Singapore 117551 Singapore Institute of Materials Research and Engineering Agency for Science Technology and Research 138634 Singapore

Magnetic semimetals have increasingly emerged as lucrative platforms hosting spin-based topological phenomena in real- and momentum spaces. Cr1+δTe2 is a self-intercalated magnetic transition metal dichalcogenide (TMD), which exhibits topological magnetism, tunable electron filling, and magnetic frustration etc. While recent studies have explored real-space Berry curvature effects in this material, similar considerations of momentum-space Berry curvature have been lacking. Here, we systematically investigate the electronic structure and transport properties of epitaxial Cr1+δTe2 thin films over a wide range of doping, δ (0.33 - 0.71). Spectroscopic experiments reveal the presence of a characteristic semi-metallic band region near the Brillouin Zone edge, which shows a rigid band like energy shift as a function of δ. Transport experiments show that the intrinsic component of the anomalous Hall effect (AHE) is sizable, and undergoes a sign flip across δ. Finally, density functional theory calculations establish a causal link between the observed doping evolution of the band structure and AHE: the AHE sign flip is shown to emerge from the sign change of the Berry curvature, as the semi-metallic band region crosses the Fermi energy. Our findings underscore the increasing relevance of momentum-space Berry curvature in magnetic TMDs and provide a unique platform for intertwining topological physics in real and momentum spaces. © 2022, CC BY.

关键词： Density functional theory

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Effect of Tio2 Support for Co Nanoparticle Catalysts for Hydrogen Generation from Nabh4 Hydrolysis

SSRN

引用

SSRN 2022年

作者： Altaf, Cigdem Tuc Colak, Tuluhan O. Minkina, Valentina G. Shabunya, Stanislav I. Sankir, Mehmet Demirci Sankir, Nurdan Kalinin, Vladimir I. Micro and Nanotechnology Graduate Program TOBB University of Economics and Technology Sogutozu Caddesi No 43 Sogutozu Ankara06560 Turkey A.V. Luikov Heat and Mass Transfer Institute The National Academy of Sciences of Belarus P. Brovka 15 Minsk220072 Belarus Department of Materials Science and Nanotechnology Engineering TOBB University of Economics and Technology Sogutozu Caddesi No 43 Sogutozu Ankara06560 Turkey

The influence of the structural differences in TiO2 (Degussa P25 and Mesh 325) as supporting materials for Co nanoparticles has been revealed in aqueous and alkaline NaBH4 hydrolysis. The activation energies for TiO2 (Mesh 325)/Co and Co/TiO2 (P25)/Co catalysts in aqueous solution of NaBH4 were 64.3 kJ . mol-1 and 56.76 kJ . mol-1, respectively. On the other hand, the activation energy values of the hydrolysis process in alkaline NaBH4 solutions using TiO2 (Mesh 325)/Co and TiO2 (P25)/Co catalysts have been calculated as 55 kJ . mol-1 and 45.2 kJ . mol-1, respectively. Consequently, hydrogen generation rate (HGR) for TiO2(Mesh 325)/Co and TiO2(P25)/Co in an aqueous-alkaline solution are 145 and 363 ml . min . gcat-1, respectively which are twice higher in that of aqueous NaBH4 hydrolysis reaction. © 2022, The Authors. All rights reserved.

关键词： Hydrolysis

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