Physical chemistry articles within Nature Communications

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  • Article
    | Open Access

    Despite the importance of dynamic phosphorylation in biology, enzyme-free, synthetic systems that use dynamic phosphorylation to regulate supramolecular processes are unexplored. Here, the authors report an enzyme-free chemical reaction cycle that can dynamically phosphorylate amino acids and peptides using simple phosphorylating agents and regulate supramolecular functions.

    • Simone M. Poprawa
    • , Michele Stasi
    •  & Job Boekhoven

  • Article
    | Open Access

    Stark spectroscopy of molecules in liquid solutions was once challenging due to orientation effects, solved by freezing but limiting ambient studies. Now, THz Stark spectroscopy with intense terahertz pulses enables dynamic analysis of molecules in both non-polar and polar solvents at any temperature, advancing conventional methods.

    • Bong Joo Kang
    • , Egmont J. Rohwer
    •  & Thomas Feurer

  • Article
    | Open Access

    Physicochemical heterogeneity poses a significant constraint in photocatalyst advancement. Here the authors introduce a multimodal optical microscopy platform to assess activity and defects concurrently in photoelectrocatalysts, revealing that disorder can unexpectedly enhance local photoelectrocatalytic performance in certain instances.

    • Camilo A. Mesa
    • , Michael Sachs
    •  & Raj Pandya

  • Article
    | Open Access

    Crystal facets are known to be important in traditional heterogeneous catalysis, yet this effect has not been studied in plasmon-assisted catalysis. Here, the authors investigate the impact facets have on CO2 reduction using plasmonic Au NPs.

    • Yicui Kang
    • , Simão M. João
    •  & Emiliano Cortés

  • Article
    | Open Access

    Experimental characterization of the transition state in chemical reactions is challenging due to its transient nature. Here, Zhang et al. observe quantum states near the activated complex region of the F + NH3 → HF + NH2 reaction via a dipole-bound state of the FNH3- anion formed upon photodetachment, which allows probing regions of reactive potential energy surfaces out of the Franck-Condon-active areas.

    • Rui Zhang
    • , Shuaiting Yan
    •  & Chuangang Ning

  • Article
    | Open Access

    Enzymes involve structural flexibility in their function, but understanding enzyme catalysis as connected to protein motions is a major challenge. Here, the authors obtain energetic description of C-H activation in nicotinamide coenzyme-dependent UDP-glucuronic acid C4 epimerase based on temperature kinetic studies and isotope effect measurements.

    • Christian Rapp
    • , Annika Borg
    •  & Bernd Nidetzky

  • Article
    | Open Access

    Tuning the physical interactions and structures to govern the viscoelastic properties in hydrogels without altering the chemistry is challenging. Here the authors design a complexation gel composite and utilize the physical principle of topologically frustrated dynamical state to tune the correlated structures between the guest polycation chains and negatively charged host gels.

    • Gui Kang Wang
    • , Yi Ming Yang
    •  & Di Jia

  • Article
    | Open Access

    While clusters in calcium orthophosphate nucleation have long been known, their speciation and mechanistic pathways to hydroxyapatite remain debated. Here the authors report a revision of ion association in the calcium phosphate system and explore the consequences thereof on the early stages of phase separation.

    • David P. McDonogh
    • , Julian D. Gale
    •  & Denis Gebauer

  • Article
    | Open Access

    Multiple autocatalytic reactions producing thiols are known, but negative feedback loop motifs are unavailable for thiol chemistry. Here, the authors develop a negative feedback loop based on the selenocarbonates, in which thiols induce the release of aromatic selenols that catalyze the oxidation of thiols by organic peroxides.

    • Xiuxiu Li
    • , Polina Fomitskaya
    •  & Sergey N. Semenov

  • Article
    | Open Access

    Chiral recognition of amino acids with luminescence, despite its advantages, is usually slow and lacks generality. Here, the authors demonstrate that L-phenylalanine derived benzamide can manifest the structural difference between the natural, left-handed amino acid and its right-handed counterpart via the difference in room-temperature phosphorescence, irrespective of the specific chemical structure.

    • Xiaoyu Chen
    • , Renlong Zhu
    •  & Guoqing Zhang

  • Article
    | Open Access

    The correlation between asymmetric molecular geometry of non-fullerene acceptors and their optoelectronic properties was unclear. Here, the authors found asymmetric ones exhibit increased open-circuit voltage compared to their symmetric counterparts due to reduced non-radiative charge recombination.

    • Jinfeng Huang
    • , Tianyi Chen
    •  & Lijian Zuo

  • Article
    | Open Access

    Photosynthesis in biological systems occurs in a noisy environment that reduces the lifetime of coherences in the excitation energy transfer. Here the author demonstrate that long-lasting coherences are protected by quantum phase synchronization, realized in dimers by exciton-vibrational coupling where energy dissipation occurs predominantly in resonant anti-symmetric collective modes.

    • Ruidan Zhu
    • , Wenjun Li
    •  & Yuxiang Weng

  • Article
    | Open Access

    Here the authors induce asymmetric transmission in planar Fabry–Pérot microcavities by embedding organic thin films exhibiting apparent circular dichroism (ACD), an optical phenomenon based on 2D chirality.

    • Tzu-Ling Chen
    • , Andrew Salij
    •  & Randall H. Goldsmith

  • Article
    | Open Access

    Radicals are expected to be inactive on metal surfaces. Here the authors describe general intermolecular radical transfer reactions on Ag and Cu surfaces and confirm the reaction mechanism by extensive control experiments.

    • Junbo Wang
    • , Kaifeng Niu
    •  & Lifeng Chi

  • Article
    | Open Access

    Current desalination technologies are energy intensive and suffer from membrane degradation and fouling. Here, authors propose and explore the potential of thermodiffusion as a means of membrane-free, single-phase thermal desalination. A pathway towards a feasible thermodiffusive desalination is provided.

    • Shuqi Xu
    • , Alice J. Hutchinson
    •  & Juan F. Torres

  • Article
    | Open Access

    The authors demonstrate that the band structure of graphene nanoribbons is modulated by cove edges, brightening the luminescence 4-fold via emission from otherwise dark twilight states. High spectral resolution of the optical response reveals strong vibron-electron coupling

    • Bernd K. Sturdza
    • , Fanmiao Kong
    •  & Robin J. Nicholas

  • Article
    | Open Access

    Aqueous batteries have a short lifespan due to Al current collector corrosion and Li loss from side reactions on the anode. Here, the authors propose a prototype of self-prolonging aqueous Li-ion batteries by introducing hydrolyzation-type anodic additives to regulate Al corrosion-passivation.

    • Binghang Liu
    • , Tianshi Lv
    •  & Liumin Suo

  • Article
    | Open Access

    The formation of C–H bonds via reaction of small inorganic molecules is of great interest for understanding the transition from inorganic to organic matter, but the detailed mechanisms remain elusive. Here, the authors demonstrate real-time visualization and coherent control of the ultrafast C–H bond formation dynamics in a light-induced bimolecular reaction from inorganic species.

    • Zhejun Jiang
    • , Hao Huang
    •  & Jian Wu

  • Article
    | Open Access

    Amyloid fibrils are ordered protein assemblies implicated in neurodegenerative disease. Here the authors show that hairpin trimers can be transition states of fibril nucleation, explaining how different fibril isoforms may arise from alternative nucleation sites.

    • Levent Sari
    • , Sofia Bali
    •  & Milo M. Lin

  • Article
    | Open Access

    Li et al. report large circular dichroism in 2D chiral perovskite single crystals, arises from the inorganic sublattice, instead of chiral ligands, driven by electron-hole exchange interactions. This is evidenced by both reflective circular dichroism spectroscopy and ab initio theory.

    • Shunran Li
    • , Xian Xu
    •  & Peijun Guo

  • Article
    | Open Access

    Bioimaging with photocontrol and multiplexing capability is vital for studying cellular interactions and dynamics, but multiplexed stimulated Raman scattering (SRS) imaging with reversible photocontrol is elusive. Here, the authors report SRS microscopy with Carbow-switch enabling multiplexed SRS imaging and tracking in live cells with reversible photocontrol and high spatiotemporal selectivity.

    • Yueli Yang
    • , Xueyang Bai
    •  & Fanghao Hu

  • Article
    | Open Access

    The interconversion of the two spin isomers of formaldehyd has been studied in the gas phase but has never been observed experimentally in the condensed phase. Here the authors report the encapsulation of formaldehyde inside C60 cages and observe spin-isomer conversion of the formaldehyde guest molecules in the cryogenic solid state.

    • Vijyesh K. Vyas
    • , George R. Bacanu
    •  & Richard J. Whitby

  • Article
    | Open Access

    Solvated electrons can be formed through photo-induced charge-transfer-to-solvent electronic states of halide ions in water. Here, the authors use machine learning accelerated molecular dynamics simulations to follow the evolution of these states for aqueous iodide in detail.

    • Jinggang Lan
    • , Majed Chergui
    •  & Alfredo Pasquarello

  • Article
    | Open Access

    Strong light-matter interactions in optical microcavities can be used to control molecular kinetic and thermodynamic phenomena. Here, the authors introduce a theory that describes the nonperturbative effects of infrared microcavities on chemical equilibria.

    • Kaihong Sun
    •  & Raphael F. Ribeiro

  • Article
    | Open Access

    The strong ionic bond in salt is broken by electrostatic interactions with water, but direct observation at the level of a single ion is challenging. Here, the authors have visualized the preferential dissolution of an anion by manipulating a single water molecule.

    • Huijun Han
    • , Yunjae Park
    •  & Hyung-Joon Shin

  • Article
    | Open Access

    Malakar et al. investigate the photochemical dynamics in the isomerization of bacteriorhodopsin light and dark-adapted forms and in the first photocycle intermediate, K. The results prompt a reevaluation of the counter ion model, revealing that a different protonation then that shown in the classic quadrupole so far considered must be employed to account for the experimental data.

    • Partha Malakar
    • , Samira Gholami
    •  & Sanford Ruhman

  • Article
    | Open Access

    What is static charge? Analysis of molecularly well-defined surfaces shows that static charge is an ionic molecular fragment. Contact electrification causes the heterolytic cleavage of covalent bonds, generating these fragments.

    • Yan Fang
    • , Chi Kit Ao
    •  & Siowling Soh

  • Article
    | Open Access

    Computing platforms based on chemical processes can be an alternative to digital computers in some scenarios but have limited programmability. Here the authors demonstrate a hybrid computing platform combining digital electronics and an oscillatory chemical reaction and demonstrate its computational capabilities.

    • Abhishek Sharma
    • , Marcus Tze-Kiat Ng
    •  & Leroy Cronin

  • Article
    | Open Access

    The nature of the molecule-metal interface is crucial for many technological applications. Here, the authors show that the photostability of the material can be sensitive to room light when coated with a single molecular layer, with implications for devices and processes.

    • Chenyang Guo
    • , Philip Benzie
    •  & Jeremy J. Baumberg

  • Article
    | Open Access

    By performing long ab initio molecular dynamics simulations of water under external electric fields, for up to 500 picoseconds, the authors identify a transition to a ferroelectric amorphous phase at ambient conditions.

    • Giuseppe Cassone
    •  & Fausto Martelli

  • Article
    | Open Access

    Understanding excitonic optical excitations is integral to improving optoelectronic and photovoltaic semiconductor devices. Here, Bennecke et al. use photoemission exciton tomography to unravel the multiorbital electron and hole contributions of entangled excitonic states in the prototypical organic semiconductor C60.

    • Wiebke Bennecke
    • , Andreas Windischbacher
    •  & Stefan Mathias

  • Article
    | Open Access

    Graphene oxide is in demand for various applications - however, this is complicated by changing physicochemical properties over time. Here, the authors show the intrinsic, metastable, and transient states of graphene oxide colloids upon ripening.

    • Hayato Otsuka
    • , Koki Urita
    •  & Katsumi Kaneko

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