Article
Computer Science, Interdisciplinary Applications
Jianzhen Qian, Yanjin Wang, Yang Zhang, Pei Wang
Summary: We propose a new seven-equation model and solution methods for compressible two-phase flows. The model is based on new closure laws for the interaction between the two phases and shares some favorable properties with the Baer-Nunziato model. It allows for a linear degenerate field and explicit derivation of the associated Riemann invariants. The numerical approximation utilizes operator splitting and stable implicit algorithms are explored for pressure and velocity relaxations.
JOURNAL OF COMPUTATIONAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Jia-Qun Yu, Chun-Hui Xue, Kun Zhou, Yuan Fang, Jiu-Yu Ji, Bao-Kuan Chen, Yan-Feng Bi
Summary: A new silver thiolate cluster containing a [W10O32](6-) template was synthesized through a one-pot method. The [W10O32](6-) template transformed from WO42- polyoxoanion through self-assembly. The interaction between the reduced template and silver-oxygen contributes to the formation of the Ag-44 nanowheel. The luminescence, photocatalytic activity, and electrochemistry properties of the cluster were studied.
CHEMISTRY-AN ASIAN JOURNAL
(2022)
Article
Biology
Jayati Tripathi, B. Vasu, O. Anwar Beg
Summary: This article examines the unsteady two-dimensional blood flow through a diseased artery with an irregular stenosis, using a geometric model to simulate the irregular stenosis and discussing the impact of hybrid nanoparticles on blood flow. The study shows that an increase in viscosity parameter results in flow acceleration in the stenotic region, while a decrease in thermal conductivity reduces temperature magnitudes. Research on silver and silver-gold hybrid nanofluid models promotes the use of hybrid nanoparticles for more beneficial results in clinical nano-drug delivery in diseased hemodynamics.
COMPUTERS IN BIOLOGY AND MEDICINE
(2021)
Article
Optics
B. Abeln, K. Sponselee, M. Diem, N. Pintul, K. Sengstock, C. Becker
Summary: In this study, interisotope interorbital interactions between atoms in Yb-171 and Yb-173 mixture were characterized. The elastic interaction between Yb-173(e)-Yb-171(g) and Yb-173(g)-Yb-171(e) was found to be weakly attractive, with different two-body decay coefficients. By comparing different spin mixtures, the SU(2)⨂SU(6) symmetry of the elastic interactions was experimentally demonstrated. Additionally, the interorbital spin-exchange interaction in Yb-171 was measured and confirmed to be antiferromagnetic.
Article
Chemistry, Multidisciplinary
Rani Gourkhede, Neetu Prajesh, Rishabh Gupta, Ramamoorthy Boomishankar
Summary: Metal-organic hybrid supramolecular architectures based on lighter transition metal ions are promising ferroelectric materials with high crystallinity and low toxicity. However, synthesizing polar metal-ligand assemblies is still challenging without well-defined design strategies. In this study, a new discrete octahedral metal-organic cage with improved polarization characteristics was reported. The non-centrosymmetric structure of the cage was attributed to the rotation of octahedra around the metal center, and the polarization was influenced by the toggling of disordered nitrate anions. The involvement of solvate molecules in establishing long-range polar order was also observed.
JOURNAL OF CHEMICAL SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Shrodha Mondal, Jiko Raut, Olivia Sarkar, Santi M. Mandal, Ansuman Chattopadhyay, Prithidipa Sahoo
Summary: In this research, carbon quantum dots were developed to trap 6-thioguanine (6TG) and disrupt the spreading of fire blight caused by the bacterium Erwinia amylovora. The effectiveness of this approach was validated in guava saplings, and the trapping mechanism was confirmed through confocal microscopic imaging. Various analytical tools were used to elucidate the quenching mechanism and establish the attributes of the nitrogen-doped carbon quantum dots. The research provides a novel and significant approach to prevent and manage fire blight.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Mathematics, Applied
Xin Xing, Hua Huang, Edmond Chow
Summary: This paper presents a general algorithm for constructing an SPD HSS approximation as a preconditioner for solving linear systems with dense, ill-conditioned, symmetric positive definite (SPD) kernel matrices. The algorithm uses the H-2 representation of the SPD matrix to reduce computational complexity from quadratic to quasilinear, and numerical experiments demonstrate its performance.
SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS
(2021)
Article
Multidisciplinary Sciences
Zikri Altun, Erdi Ata Bleda, Carl Trindle
Summary: The text discusses the complexities of describing the environment of an atom trapped in a crystal vacancy, a metal cage, or a fullerene due to the inadequacy of traditional concepts such as valency or coordination number. Density functional theory, quantum theory of atoms in molecules (QTAIM), and theory of non-covalent interactions (NCI) are used to define structure and energetics for the systems. The analysis illustrates the interactions and environmental fields of atoms in various systems and their neighbors, as well as the deformation and restoration of symmetric fullerenes in a series of metal@C-20.
Article
Mathematics, Applied
Daniel Breaz, Luminita-Ioana Cotirla
Summary: This paper introduces new classes of m-fold symmetric bi-univalent functions and discusses estimates on the Taylor-Maclaurin coefficients |a(m+1)| and |a(2m+1)|. The Fekete-Szego problem for the new classes of functions is also considered. The study incorporates aspects of quantum calculus to enhance novelty and obtain more interesting results.
JOURNAL OF INEQUALITIES AND APPLICATIONS
(2023)
Article
Religion
Ulrich Heckel
Summary: The Letter to the Ephesians introduces seven characteristics for church unity, which are relevant for current ecumenical discussions and can be combined with the criteria set out in the Nicene-Constantinopolitan Creed to provide a solid foundation for both Protestant-Roman Catholic dialogue and worldwide ecumenism.
Article
Chemistry, Multidisciplinary
Qingsong Hu, Chengkai Zhang, Xian Wu, Guijie Liang, Lei Wang, Xiaowei Niu, Zhi Wang, Wei-Dan Si, Yibo Han, Ruiqin Huang, Jiawen Xiao, Di Sun
Summary: In this study, we introduce an efficient hybrid copper(I) iodide cluster emitter (DBA)(4)Cu4I4, which achieves ultra-bright triplet yellow-orange emission with a photoluminescence quantum yield over 94.9% through the cooperation of excited state structure reorganization and the metallophilicity interaction. The phonon-assisted de-trapping process of exciton induces the negative thermal quenching effect at 80-300 K. Furthermore, our (DBA)(4)Cu4I4 wafer shows great potential in practical X-ray imaging applications with a light yield higher than 10(4) photons MeV-1 and a high spatial resolution of approximate to 5.0 lp mm(-1). This new copper(I) iodide cluster emitter can be used as a model for investigating the thermodynamic mechanism of photoluminescence in hybrid copper(I) halide phosphorescence materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Rakesh Kumar Gupta, Li Li, Zhi Wang, Bao-Liang Han, Lei Feng, Zhi-Yong Gao, Chen-Ho Tung, Di Sun
Summary: With the use of anion template-driven self-assembly, we have achieved precise control over the shape and size of silver nanoclusters, reporting the atomically precise structures of Ag37 and Ag46. The results reveal that Cl- ions serve as both local and global templates in Ag37, while CrO42- ions function as local templates with Cl- ions as global templates in Ag46. By utilizing the deep cavity of thiacalix[4]arene with an extended phenyl group, Ag46 has been successfully used as a host material for dye adsorption depending on the charge and size of organic dyes. The study fills the knowledge gap in understanding the directing role of heteroanions in dictating the shape and size of nanoclusters at the atomic level.
Article
Materials Science, Multidisciplinary
Xiaonan Li, Luyang Jia, Wenguang Wang, Ying Wang, Di Sun, Hua Jiang
Summary: In this study, a nonalternant azulene-embedded carbon nanohoop, 1,3-Az[9]CPP, was introduced. The investigation revealed that 1,3-Az[9]CPP possesses unique properties including anti-Kasha emission, reversible pH stimuli-responsiveness, and tunable band gaps upon protonation and deprotonation. Moreover, 1,3-Az[9]CPP exhibited a highly selective binding for C-60 over C-70 in acidic media.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Xianqiang Huang, Sen Liu, Zhen Zhou, Haizhen Zhang, Zongyin Gao, Guodong Shen, Huaiwei Wang, Zhi Wang, Qingxia Yao, Di Sun
Summary: This study developed a bottom-up strategy to construct robust metal-organic frameworks for visible-light-driven oxidation of sulfides.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Guanglei Dong, Zhonghua Pan, Baoliang Han, Yunwen Tao, Xin Chen, Geng-Geng Luo, Panpan Sun, Cunfa Sun, Di Sun
Summary: This study presents an atom-precise 18-copper nanocluster (Cu18H) with a pseudo D-3-symmetrical triple-helical Cu-15 core. Cu18H exhibits unique multi-layered 3D chirality and forms an infinite double-stranded helix through intra-strand and inter-strand interactions. The hierarchical assemblies of Cu18H not only resemble the structure of DNA but also exhibit crystallization-induced emission enhancement and aggregation-induced emission enhancement effects, as well as efficient catalysis of electron transfer reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Kai Sheng, Zhi Wang, Li Li, Zhi-Yong Gao, Chen-Ho Tung, Di Sun
Summary: Despite being a relatively weak supramolecular force, the C-H...O interaction presents a significant challenge in the crystal engineering of complex metallosupramolecules. By altering the composition ratio of a ternary solvent system, the intermolecular C-H...O interaction can be tuned to control the formation of one-dimensional metal cluster polymorphs and modulate their temperature-dependent photoluminescence behavior and photothermal conversion properties, which can be applied in remote-controlled laser ignition.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Wei -Dan Si, Chengkai Zhang, Meng Zhou, Wei-Dong Tian, Zhi Wang, Qingsong Hu, Ke-Peng Song, Lei Feng, Xian-Qiang Huang, Zhi-Yong Gao, Chen-Ho Tung, Di Sun
Summary: In this study, an all-alkynyl-protected gold nanocluster, Au20, with distinguished photophysical properties including near-infrared dual-emission (DE) at 820 and 940 nm and high photo-luminescent quantum yield, was synthesized. Through systematic spectroscopic and theoretical studies, two triplet charge transfer states, ligand-to-kernel and kernel-based CT states, were identified as the origins of DE. The NIR DE also exhibited highly independent and sensitive responses to surrounding environments. This work provides insights into the DE mechanism and promotes the development of NIR DE materials.
Article
Chemistry, Multidisciplinary
Geng-Geng Luo, Zhong-Hua Pan, Bao-Liang Han, Guang-Lei Dong, Cheng-Long Deng, Mohammad Azam, Yun-Wen Tao, Jiao He, Cun-Fa Sun, Di Sun
Summary: Accurate identification and understanding of defect sites in nanomaterials are crucial for establishing defect-activity relationships. However, the synthesis and isolation of atomically precise coinage-metal nanoclusters with surface vacancy defects are challenging. In this study, a mixed-ligand strategy was employed to synthesize a chiral and metal-deficient copper nanocluster with high hydrogen content. Its crystal structure reveals specific defect sites and experimental results prove its catalytic activity in the hydrogenation reaction. This work paves the way for further research on well-defined chiral metal-deficient nanoclusters and their applications in asymmetrical catalysis.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Ran Wang, Kai Sheng, Xian-Qiang Huang, Mohammad Azam, Chen-Ho Tung, Di Sun
Summary: In the field of heterogeneous catalysis, the development of atom-precise heterometallic nanoclusters with bifunctional Lewis acid-base sites is a significant challenge. A new Ag/Ti heterometallic cluster with an hourglass-shaped Ag7 cluster surrounded by a quasi-plane {Ti4} metalloligand has been successfully synthesized. This cluster exhibits excellent Lewis acid-base activity and recyclability in C-C bond formation reactions.
JOURNAL OF CATALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Zhi Wang, Rakesh Kumar Gupta, Fahri Alkan, Bao-Liang Han, Lei Feng, Xian-Qiang Huang, Zhi-Yong Gao, Chen-Ho Tung, Di Sun
Summary: The structural transformation of metal nanoclusters has been of great interest, but the mechanisms and intermediates are still unclear. In this study, a flexible 54-nuclei silver cluster (Ag54) was synthesized and its transformation mechanism was revealed. Different silver clusters showed varying catalytic activities in the reduction reaction.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Zhi Wang, Yan-Jie Zhu, Bao-Liang Han, Yi-Zhi Li, Chen-Ho Tung, Di Sun
Summary: The authors demonstrate the synthesis of two atomically precise silver nanoclusters (NCs) and showcase the thermal-induced structure transformation between the clusters during a temperature-dependent assembly process. Ag14 shows superior photothermal conversion performance, indicating its potential for remote laser ignition.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Jiu-Hong Yu, Zhi-Rui Yuan, Jing Xu, Jin-Gui Wang, Mohammad Azam, Tian-Duo Li, Ying-Zhou Li, Di Sun
Summary: Ligand shells of gold nanoclusters have significant effects on their molecular and electronic structures. The study compares the impacts of two similar but distinct protecting ligands, Au13As8 and Au13Sb8. Au13As8 exhibits a blue-shifted electronic absorption band, which is attributed to stronger p-back donation interactions between Au-13 core and AsPh3 ligands. Furthermore, Au13As8 demonstrates better balance between catalytic stability and activity compared to Au13Sb8, making it a promising precursor cluster for further cluster preparation.
Article
Chemistry, Multidisciplinary
Zhi Wang, Yan-Jie Zhu, Olli Ahlstedt, Konstantinos Konstantinou, Jaakko Akola, Chen-Ho Tung, Fahri Alkan, Di Sun
Summary: This study presents a silver nanocluster that can encapsulate three kinds of molybdates, providing insights into the structural diversity and condensation growth of polyoxometalates (POMs) in solution. This finding not only unlocks the dynamic features of POMs but also offers a promising approach to synthesize silver nanoclusters.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Inorganic & Nuclear
Rakesh Kumar Gupta, Parashuram Kallem, Geng-Geng Luo, Ping Cui, Zhi Wang, Fawzi Banat, Chen-Ho Tung, Di Sun
Summary: Metal-organic frameworks (MOFs) are crystalline materials with unique and tunable properties, which have been widely used in various applications, especially in sensing, catalysis, drug delivery, and luminescence. This review summarizes the design, synthesis, and applications of these MOFs, and discusses the future development in this field.
COORDINATION CHEMISTRY REVIEWS
(2023)