Article
Multidisciplinary Sciences
Ling-Jun Kong, Weixuan Zhang, Peng Li, Xuyue Guo, Jingfeng Zhang, Furong Zhang, Jianlin Zhao, Xiangdong Zhang
Summary: The authors develop a topological all-optical coding scheme using nested vortex knots and links, which exhibits good stability and high capacity. By designing and fabricating metasurface holograms, light fields sustaining different kinds of nested vortex links are generated, and the feasibility of the high-capacity coding scheme is verified.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Story Temen, Alexey Akimov
Summary: The new state tracking algorithm based on stochastic state reassignment reduces state population fluctuations as the quantum system evolves, facilitating thermalization and suppressing population revivals and oscillations near equilibrium. Additionally, it has favorable computational scaling, conceptual transparency, and treats various types of state identity changes equally.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Materials Science, Textiles
Natarajan Sivanesan, Rameshbabu Venugopal, Ariharasudhan Subramanian
Summary: This research examined the effects of braided silk sutures on parameters such as tensile strength, elongation, bending stiffness, and friction. By studying different braiding angles, filament twists, and braid structures, optimal conditions for enhanced handling characteristics were determined.
JOURNAL OF INDUSTRIAL TEXTILES
(2022)
Article
Chemistry, Physical
Andrew J. S. Valentine, Xiaosong Li
Summary: This study explores the challenges of treating intersystem crossing (ISC) in late-row elements, such as the loss of spin, the inclusion of spin-orbit coupling (SOC) through variational two- or four-component electronic structure, and the high density of states in late-row complexes. Density functional theory (DFT) calculations and a model Hamiltonian are used for simulation and analysis.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
John P. Carpenter, Charlie T. McTernan, Jake L. Greenfield, Roy Lavendomme, Tanya K. Ronson, Jonathan R. Nitschke
Summary: In this study, a molecular knot with eight crossing points was synthesized through self-assembly process. The structure and topology of the knot were confirmed using NMR spectroscopy, mass spectrometry, and X-ray crystallography. After demetallation, the organic strand relaxed into a symmetric conformation while maintaining the original knot's topology.
Article
Physics, Multidisciplinary
Thomas Lachner, Daniel de las Heras, Thomas M. Fischer
Summary: In this study, the trajectories of magnetic octupole colloids driven by periodic loops of an external magnetic field above a two-dimensional threefold symmetric magnetic pattern were simulated. The octupoles avoid the high symmetric points above the lattice either in a topologically trivial or nontrivial way. By changing lattice symmetries and modulation loops, the full dynamical phase space of the winding behavior of the octupoles was calculated.
PHYSICAL REVIEW RESEARCH
(2021)
Article
Optics
Sourav Manna, Callum W. Duncan, Carrie A. Weidner, Jacob F. Sherson, Anne E. B. Nielsen
Summary: Researchers constructed a local Hamiltonian on a fractal lattice, whose ground state exhibits topological braiding properties, which is of great significance in the fields of topology and condensed matter physics.
Article
Materials Science, Textiles
Jing Li, Yajun Yin, Qing Huang, Gui Yang, Feng Jiang
Summary: This research proposes a novel braiding machine model that is extendable, capable of changing patterns quickly, and incorporates multiple functionalities. This advanced machine contributes to the evolution of the braiding industry by breaking the limitations of traditional equipment and significantly reducing equipment costs for braiding factories. The research highlights the superior mechanical structure, operational mode, and functional characteristics of the robotic arm braiding machine.
JOURNAL OF THE TEXTILE INSTITUTE
(2023)
Article
Engineering, Manufacturing
Marc Gondran, Yasmine Abdin, Yohan Gendreau, Farbod Khameneifar, Louis Laberge Lebel
Summary: This study introduces a novel method for controlling the local targeted braiding angle during the braiding process by iteratively calculating the speed profile. The proposed approach effectively reduces errors when braiding on mandrels with irregular cross-sections.
COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING
(2021)
Article
Mathematics, Applied
Gyo Taek Tin, Hyuntae Kim, Seungwoo Lee, Hun Joo Myung
Summary: The study continues previous work, providing minimal grid diagrams of prime alternating knots with arc index 12 and a list of prime knots with 12 to 16 crossings. The results have been published on arXiv.
JOURNAL OF THE KOREAN MATHEMATICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Qiu-Shui Mu, Xiang Gao, Zheng Cui, Yue-Jian Lin, Guo-Xin Jin
Summary: Using the strategy of ligand fine-tuning by steric hindrance, we successfully obtained Solomon and figure-eight knots with half-sandwich organometallic unit and amino-acid embedded ligands. The two curved bidentate ligands exhibit subtle differences, whereas they result in totally distinct entanglement modes. In addition, unsymmetrical ligands were utilized to achieve selective reactions and form directional molecules.
SCIENCE CHINA-CHEMISTRY
(2023)
Article
Materials Science, Textiles
Peter Glessner, Yordan Kyosev
Summary: This paper discusses the pattern changes on 3D rotary braiding machines and their applications in medical and technical fields. It proposes a new rule to speed up the development process and encourage braiders worldwide to continue researching this complex process.
TEXTILE RESEARCH JOURNAL
(2021)
Review
Medicine, General & Internal
Philippe R. Koninckx, Anastasia Ussia, Arnaud Wattiez, William Kondo, Armando Romeo
Summary: Surgical knots are defined by the number of throws, rotation, and whether they are sliding or blocking. The loop security varies depending on the type of suture material. Polyfilament sutures require more throws for secure knots, while monofilament sutures only need a specific sequence. Half-hitch sequences are recommended for gynecology and surgery as they provide flexibility for loop security with less risk of destabilization.
JOURNAL OF CLINICAL MEDICINE
(2023)
Article
Multidisciplinary Sciences
T. I. Andersen, Y. D. Lensky, K. Kechedzhi, I. K. Drozdov, A. Bengtsson, S. Hong, A. Morvan, X. Mi, A. Opremcak, R. Acharya, R. Allen, M. Ansmann, F. Arute, K. Arya, A. Asfaw, J. Atalaya, R. Babbush, D. Bacon, J. C. Bardin, G. Bortoli, A. Bourassa, J. Bovaird, L. Brill, M. Broughton, B. B. Buckley, D. A. Buell, T. Burger, B. Burkett, N. Bushnell, Z. Chen, B. Chiaro, D. Chik, C. Chou, J. Cogan, R. Collins, P. Conner, W. Courtney, A. L. Crook, B. Curtin, D. M. Debroy, A. Del Toro Barba, S. Demura, A. Dunsworth, D. Eppens, C. Erickson, L. Faoro, E. Farhi, R. Fatemi, V. S. Ferreira, L. F. Burgos, E. Forati, A. G. Fowler, B. Foxen, W. Giang, C. Gidney, D. Gilboa, M. Giustina, R. Gosula, A. G. Dau, J. A. Gross, S. Habegger, M. C. Hamilton, M. Hansen, M. P. Harrigan, S. D. Harrington, P. Heu, J. Hilton, M. R. Hoffmann, T. Huang, A. Huff, W. J. Huggins, L. B. Ioffe, S. V. Isakov, J. Iveland, E. Jeffrey, Z. Jiang, C. Jones, P. Juhas, D. Kafri, T. Khattar, M. Khezri, M. Kieferova, S. Kim, A. Kitaev, P. V. Klimov, A. R. Klots, A. N. Korotkov, F. Kostritsa, J. M. Kreikebaum, D. Landhuis, P. Laptev, K. -M. Lau, L. Laws, J. Lee, K. W. Lee, B. J. Lester, A. T. Lill, W. Liu, A. Locharla, E. Lucero, F. D. Malone, O. Martin, J. R. McClean, T. McCourt, M. McEwen, K. C. Miao, A. Mieszala, M. Mohseni, S. Montazeri, E. Mount, R. Movassagh, W. Mruczkiewicz, O. Naaman, M. Neeley, C. Neill, A. Nersisyan, M. Newman, J. H. Ng, A. Nguyen, M. Nguyen, M. Y. Niu, T. E. O'Brien, S. Omonije, A. Petukhov, R. Potter, L. P. Pryadko, C. Quintana, C. Rocque, N. C. Rubin, N. Saei, D. Sank, K. Sankaragomathi, K. J. Satzinger, H. F. Schurkus, C. Schuster, M. J. Shearn, A. Shorter, N. Shutty, V. Shvarts, J. Skruzny, W. C. Smith, R. Somma, G. Sterling, D. Strain, M. Szalay, A. Torres, G. Vidal, B. Villalonga, C. V. Heidweiller, T. White, B. W. K. Woo, C. Xing, Z. J. Yao, P. Yeh, J. Yoo, G. Young, A. Zalcman, Y. Zhang, N. Zhu, N. Zobrist, H. Neven, S. Boixo, A. Megrant, J. Kelly, Y. Chen, V. Smelyanskiy, E. -A. Kim, I. Aleiner, P. Roushan
Summary: Indistinguishability of particles is a fundamental principle in quantum mechanics. While braiding of Abelian anyons leaves the system unchanged, braiding of non-Abelian anyons can change the observables of the system without violating the principle of indistinguishability. Experimental observation of non-Abelian anyons' exchange statistics has remained elusive, but using quantum processors, it is now possible to manipulate and braid them, allowing for the verification of their fusion rules and statistics. This work provides insights into non-Abelian braiding and its potential application in fault-tolerant quantum computing with the inclusion of error correction.
Article
Multidisciplinary Sciences
Karen Tobias, Pierre-Yves Mulon, Alec Daniels, Xiaocun Sun
Summary: This study examined the effects of repetition within a single training session on the quality of knotted loops for both novice trainees and experienced surgeons. The results showed that there was no significant difference in mechanical testing results between novices and surgeons. However, a large percentage of knotted loops were found to be insecure under testing conditions, indicating the need for extra training in loop security for novices.
Article
Biochemistry & Molecular Biology
Saravanan Kandasamy, George F. S. Whitehead, Inigo J. Vitorica-Yrezabal, John M. Gardiner
Summary: 5-O-protected and 1,2-acetonide-protected D-glucurono-6,3-lactone furanosides were converted into novel furano-glucuronamides through treatment with ammonia. Different protection and deprotection routes led to primary gluconamide derivatives, while benzylations led to silyl migration, N-benzylation, or reclosure to lactone. The use of 5-O-PMB protection provided a method for obtaining fully protection-differentiated glucofuranamide. Crystal structures of fully protected glucurono-6,3-lactone lactone and glucuronamide derivatives were reported.
CARBOHYDRATE RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
A. R. Bonity J. Lutton-Gething, Lynda T. Nangkam, Jens O. W. Johansson, Ioanna Pallikara, Jonathan M. Skelton, George F. S. Whitehead, Inigo Vitorica-Yrezabal, Martin P. Attfield
Summary: Controlling the mu(2)-X- bridging anion in Ga-MIL-53 [GaX(bdc)] (X-=(OH)(-) or F-, bdc=1, 4-benzenedicarboxylate) can direct the temperature at which breathing transitions of this framework occur. Substituting (OH)(-) with F- stabilizes the large pore (lp) form and decreases the onset temperature of lp to narrow pore (np) transition. In situ diffraction studies provide a plausible crystal structure and reveal a lower temperature pathway for the transition.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
William D. Jobbins, Bono van IJzendoorn, Inigo J. Vitorica-Yrezabal, George F. S. Whitehead, Meera Mehta
Summary: The solution-state molecular chemistry of heptapnictogen clusters has not been well established. We investigated the heteroallene capture ability of heavy element derivatives of tetrel functionalized heptapnictogen clusters towards isocyanates and CO2. The experimental results showed that these clusters could capture isocyanates through their tetrel-pnictogen bonds, with different preferences for coordinating with nitrogen or oxygen atoms. This study also used density functional theory to explore the heteroallene insertion at these clusters.
DALTON TRANSACTIONS
(2023)
Review
Chemistry, Multidisciplinary
Nathan J. Castellino, Andrew P. Montgomery, Jonathan J. Danon, Michael Kassiou
Summary: The development of late-stage functionalization (LSF) methodologies, particularly C-H functionalization, has had a revolutionary impact on organic synthesis. In recent years, medicinal chemists have incorporated LSF strategies into their drug discovery programs to improve efficiency. This review comprehensively surveys the latest progress in utilizing LSF techniques to enhance drug-like molecular properties, highlighting case studies and commenting on the potential transformative role of LSF in drug discovery.
Review
Pharmacology & Pharmacy
Andrew P. Montgomery, Jack M. Joyce, Jonathan J. Danon, Michael Kassiou
Summary: Late-stage functionalization (LSF) allows for the introduction of new chemical groups toward the end of a synthetic sequence, providing rapid access to new molecules without laborious de novo chemical synthesis. Medicinal chemists have increasingly utilized LSF strategies in drug discovery programs, resulting in efficient exploration of structure-activity relationships and improvement of physicochemical and pharmacokinetic properties.
EXPERT OPINION ON DRUG DISCOVERY
(2023)
Article
Chemistry, Multidisciplinary
Martin J. Power, David T. J. Morris, Inigo J. Vitorica-Yrezabal, David A. . Leigh
Summary: Challenges in developing effective new superbases include synthesis ease, chemical stability, high basicity, and minimizing nucleophilicity. In this study, a new family of organic superbases called compact amine-crown ether rotaxanes are introduced, which exhibit desirable characteristics in all these aspects. These rotaxanes are synthesized using metal-free active template synthesis, have high basicity, low nucleophilicity, and show excellent stability and selectivity in reactions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Andrei S. Baluna, Albano Galan, David A. . Leigh, Gareth D. Smith, Justin T. J. Spence, Daniel J. Tetlow, Inigo J. Vitorica-Yrezabal, Min Zhang
Summary: We repeated the earliest claimed catenane synthesis reported by Wasserman over 60 years ago to investigate the formation of mechanically interlocked rings through a nontemplate, statistical synthesis. Using modern synthetic methods, we reconstructed Wasserman's deuterium-labeled macrocycle and other building blocks on a scale necessary to generate approximately 1 mg of catenane. We employed advanced spectroscopic and chemical techniques to detect, isolate, and prove the structure of a putative [2]catenane consisting of a 34-membered cyclic hydrocarbon mechanically linked with a 34-membered cyclic alpha-hydroxyketone.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Zhipeng Zhou, Lei Zhang, Yonghang Yang, Inigo J. Vitorica-Yrezabal, Honglei Wang, Fanglin Tan, Li Gong, Yuyao Li, Pohua Chen, Xin Dong, Zihao Liang, Jing Yang, Chao Wang, Yuexian Hong, Yi Qiu, Armin Goelzhaeuser, Xudong Chen, Haoyuan Qi, Sihai Yang, Wei Liu, Junliang Sun, Zhikun Zheng
Summary: This study reports a strategy that utilizes amphiphilic amino-acid derivatives with long hydrophobic chains to produce single-crystal imine-linked COFs in aqueous solutions under ambient conditions. The self-assembled micelles act as dynamic barriers to separate monomers in aqueous solution and hydrophobic compartments, thereby regulating the polymerization and crystallization processes. Five different three-dimensional COFs and a two-dimensional COF were obtained as single crystals on the gram scale, with yields of 92% and above.
Article
Chemistry, Organic
Fahad Ayesh Alharthi, Garrett T. Potter, Gordon C. Jayson, George F. S. Whitehead, Inigo J. Vitorica-Yrezabal, John M. Gardiner
Summary: Reactions of a glucuronic acid (GlcA) beta-thioglyco-side with cyclohexadione result in the formation of two expected all-trans decalin-type O2,O3 and O3,O4 cyclohexane-1,2-diacetals (CDAs), along with an epimer of the main O2,O3 acetal. This trans-cis isomer is then converted to higher amounts of the two all-trans products. Isomerization studies demonstrate slow interconversion between the all-trans CDA acetals, with only one significant interconversion with the minor 2,3-diastereomer. Crystal structures of all three isomers are included. These findings are important for understanding the occurrence and interconversion of apparently disfavored isomers in other uses of CDA protections.
Article
Chemistry, Multidisciplinary
Lorna Binks, Stefan Borsley, Todd R. Gingrich, David A. Leigh, Emanuele Penocchio, Benjamin M. W. Roberts
Summary: The study found that kinetic asymmetry determines the directionality of the information ratchets, while power strokes influence the performance and energy storage form. These findings have important implications for understanding biological ratchets and designing artificial molecular machines.
Article
Chemistry, Multidisciplinary
Luis Martinez-Crespo, Inigo J. Vitorica-Yrezabal, George F. S. Whitehead, Simon J. Webb
Summary: Relaying conformational change over several nanometers is crucial in allosterically regulated proteins. Scientists have successfully replicated this mechanism using nanometer-sized molecules that can reversibly switch between defined shapes in response to signaling molecules. The study demonstrated that a 1.8 nm long rigid rod molecule can serve as a switchable multi-squaramide hydrogen-bond relay, with each relay adopting different orientations based on proton signals and undergoing reversible changes. Additionally, a chemical fuel acted as a dissipative signal, causing the relay to return to its original orientation when consumed.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Selena J. Lockyer, Deepak Asthana, George F. S. Whitehead, Inigo J. Vitorica-Yrezabal, Grigore. A. Timco, Eric J. L. McInnes, Richard E. P. Winpenny
Summary: A synthetic strategy is used to prepare two distinct trimers of antiferromagnetically coupled {Cr7Ni} rings, showing substantial variation in magnetic interactions between spin centers.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Isabel Abanades Lazaro, Eleni C. Mazarakioti, Eduardo Andres-Garcia, Bruno J. C. Vieira, Joao C. Waerenborgh, Inigo J. Vitorica-Yrezabal, Monica Gimenez-Marques, Guillermo Minguez Espallargas
Summary: Two ultramicroporous 2D and 3D iron-based Metal-Organic Frameworks (MOFs) were synthesized through solvothermal synthesis, using different ratios and concentrations of precursors. These MOFs have reduced pore spaces decorated with pendant pyridine from tangling isonicotinic ligands, enabling them to achieve size-exclusion kinetic gas separation and thermodynamic separation, resulting in efficient and renewable CO2/N2 selectivity for dynamic breakthrough gas separation.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Inorganic & Nuclear
Rajeh Alotaibi, Amy Booth, Edmund Little, Adam Brookfield, Amritroop Achari, Selena J. Lockyer, Grigore A. Timco, George F. S. Whitehead, Inigo J. Vitorica-Yrezabal, Nicholas F. Chilton, Rahul R. Nair, David Collison, Richard E. P. Winpenny
Summary: We synthesized and characterized a series of heterometallic rings using alkylammonium or imidazolium cations as templates. The structure of these rings can be controlled by the template and the coordination geometry preference of each metal, resulting in rings with eight, nine, ten, twelve, and fourteen metals. The compounds were analyzed using various techniques, including X-ray diffraction, elemental analysis, magnetometry, and EPR measurements. The magnetic measurements showed antiferromagnetic exchange coupling between the metal centers, while the EPR spectroscopy revealed different ground and excited states for different ring structures. These findings provide insights into the transferability of magnetic parameters among related compounds.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Organic
David P. Tilly, Catherine McColl, Mingda Hu, Inigo J. Vitorica-Yrezabal, Simon J. Webb
Summary: This article describes the study of two short pentapeptides rich in alpha-aminoisobutyric acid (Aib) as enantioselective organocatalysts. The findings show that folding into a 310 helical structure allows the peptides to transmit chiral information and promote the enantioselectivity of the reaction. This demonstrates the important role of achiral residues in catalysis.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)