Article
Chemistry, Multidisciplinary
Karnika Singh, Ankit Yadav, Prateek Dwivedi, Rahul Mangal
Summary: The study investigates the motion of active SiO2-Pt Janus particles in a complex environment of passive silica tracers, revealing significant impacts of collisions on the swimmers' motion. The frequency and nature of collisions determine the overall impact of tracers on the active particles, with high-density tracers leading to novel organizational behavior of tracers around the active particles.
Article
Chemistry, Organic
Qi Zhu, En Zhao, Yajing Shen, Zupeng Chen, Weiwei Fang
Summary: An easy to prepare nickel-coordinated mesoporous graphitic carbon nitride (Ni-mpg-CN) was used as a heterogeneous photocatalyst to efficiently catalyze the photocatalytic C-N cross-coupling of (hetero)aryl bromides and aliphatic amines, yielding the desired monoaminated products in good yields. Furthermore, the synthesis of the pharmaceutical tetracaine was successfully achieved, highlighting its practical applicability.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Physical
Bingjie Zhang, Fei Tan, Nanrong Zhao
Summary: This study systematically investigates polymer looping kinetics in active heterogeneous media crowded with a mixture of mobile active particles and immobile obstacles using Langevin dynamics simulations. The results reveal the novel phenomena of inhibition-facilitation transition of the looping rate induced by heterogeneity, crowdedness, and activity, as well as a very non-trivial crowder size effect on the looping kinetics. The underlying mechanism is rationalized by the interplay of polymer diffusion, conformational change, and looping free-energy barrier.
Article
Chemistry, Multidisciplinary
Xianglong Lyu, Xiaoxia Liu, Chao Zhou, Shifang Duan, Pengzhao Xu, Jia Dai, Xiaowen Chen, Yixin Peng, Donghao Cui, Jinyao Tang, Xing Ma, Wei Wang
Summary: The popular principle of designing chemical micro-machines based on asymmetric chemical reactions like catalytic decomposition of H2O2 may not be sufficient in powering the micromotors into self-propulsion. Surface morphology plays a critical role in enabling/disabling the performance of catalytic caps on chemical micromotors. This study offers a refreshed perspective on understanding how chemistry powers nano- and microscopic objects by emphasizing the importance of an electrochemical mechanism over nonelectrochemical pathways in self-propulsion.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Kathleen T. Krist, Ayusman Sen, W. G. Noid
Summary: This study presents a thermodynamic theory for molecular chemotaxis, exploring the role of chemical binding equilibrium and its contribution to the effective thermodynamic force driving solutes towards their binding partners. Numerical simulations show qualitative consistency with experimental studies, potentially providing additional insight into the thermodynamic binding free energy in molecular chemotaxis.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Physics, Fluids & Plasmas
Hidde D. Vuijk, Sophie Klempahn, Holger Merlitz, Jens-Uwe Sommer, Abhinav Sharma
Summary: The study focuses on the behavior of an active colloidal dimer consisting of two active Brownian particles in an activity gradient, showing chemotactic and antichemotactic behavior depending on the relative orientation of the two particles. The research has implications for designing autonomous active colloidal structures that adjust their motion based on local activity gradients.
Article
Chemistry, Physical
Siteng Zhang, Jiuling Wang, Ting Ge
Summary: This study investigates the active motion of nanorods in a viscoelastic medium using molecular dynamics simulations. It is found that the active force overcomes random diffusive motion and leads to ballistic motion along the applied force direction. The speed of the ballistic motion is determined by the balance of active force and friction from nanorod-polymer coupling. The simulations show that the friction coefficient decreases as the active force increases, and a scaling theory is developed to quantify this dependence. The study also demonstrates that force-driven ballistic motion suppresses rotational diffusion of the rod.
Article
Chemistry, Medicinal
Timothy Cholko, Shivansh Kaushik, Kingsley Y. Wu, Ruben Montes, Chia-En A. Chang
Summary: GeomBD3 is a robust Brownian dynamics simulation package that can easily handle natural or engineered systems in diverse environments and arrangements, providing a versatile tool for researchers from various disciplines for rational design and explanatory role of systems.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Multidisciplinary
Shidong Song, Antoni Llopis-Lorente, Alexander F. Mason, Loai K. E. A. Abdelmohsen, Jan C. M. van Hest
Summary: This study showcases a tunable experimental platform to gain insight into the dynamics of active particles in environments with restricted 3D topology. The results indicate that confinement leads to anomalous diffusion and decreased motility, which is predominantly governed by the theoretically predicted hydrodynamic effect within this platform.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Lin-Yan Bao, Rong-Wan Gao, Shuang Wang, Run-Han Li, Bo Zhu, Zhong-Min Su, Wei Guan
Summary: Photoredox/transition-metal dual catalysis is an efficient method for constructing C-N bonds. However, low recovery, low utilization rate, and high cost have hindered its application and development. By utilizing zinc powder, the oxidation state of nickel was successfully regulated, achieving a catalytic cycle without light.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Yuting Li, Yu Tang, Franklin (Feng) Tao
Summary: This article reports a new supported catalyst, Rh-1/P25, consisting of singly dispersed Rh-1 atoms anchored on TiO2 (P25) nanoparticles. The Rh-1/P25 catalyst exhibits high activity for C-N coupling and demonstrates selectivity of higher than 90% for producing tertiary amines in six hydroaminoalkylation reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Applied
Mingyang Gao, Jiamin Wang, Weixiang Shang, Yuchao Chai, Weili Dai, Guangjun Wu, Naijia Guan, Landong Li
Summary: Suzuki-Miyaura cross-coupling reaction is a powerful method to construct carbon-carbon bonds and is widely used in the synthesis of functional organic compounds. In this study, zeolite-encased Pd particles (Pd@MFI) were successfully prepared and investigated as promising heterogeneous catalysts for the Suzuki-Miyaura cross-coupling reaction. The Pd@MFI catalysts showed high activity, with dispersed Pd particles efficiently stabilized within the MFI zeolite matrix. The presence of basic sites adjacent to Pd sites was crucial for achieving high catalytic activity.
Article
Chemistry, Organic
Xiao Dan, Qian Yang, Liuzhuang Xing, Yurong Tang, Wentao Wang, Yunfei Cai
Summary: A fully heterogeneous metallaphotocatalytic C-C cross-coupling of aryl/vinyl halides with alkyl/allyl trifluoroborates has been developed using an integrated bipyridyl-Ni-(II)-carbon nitride as a stable and recyclable bifunctional catalyst. This visible-light-mediated heterogeneous protocol enables the sustainable synthesis of diverse valuable diarylmethanes and allylarenes in high efficiency.
Review
Multidisciplinary Sciences
D. Gomez, S. Iyaniwura, F. Paquin-Lefebvre, M. J. Ward
Summary: This article presents analytical and numerical results for pattern formation properties associated with novel types of reaction-diffusion systems. The results characterize Turing and Hopf bifurcations and the existence of localized membrane-bound spike patterns. The emergence of collective intracellular oscillations in a two-dimensional domain with dynamically active circular cells is also studied.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Zhijun Li, Xiaowen Lu, Rufang Zhao, Siqi Ji, Mingyang Zhang, J. Hugh Horton, Yang Wang, Qian Xu, Junfa Zhu
Summary: Researchers have developed an efficient molten-salt-assisted approach to create atomically dispersed cobalt atoms supported over vanadium pentoxide layered material. This cobalt single-atom catalyst achieves extraordinary catalytic efficiency in the dehydrogenative coupling reaction of alcohols and amines, with high selectivity and conversion. Density functional theory calculations confirm the optimized coordination environment and strong metal-support interaction contribute significantly to the activation of reactants.
