Reaction kinetics and dynamics articles within Nature Communications

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  • Article
    | Open Access

    Controlling selectivity between homochiral and heterochiral reaction pathways on surfaces is intriguing but challenging. Here, the authors demonstrate strategies in steering the reactions of prochiral terminal alkynes between the homochiral and heterochiral pathways by tuning the precursor substituents and the kinetic parameters.

    • Tao Wang
    • , Haifeng Lv
    •  & Junfa Zhu

  • Article
    | Open Access

    Detonation of high explosives can produce many nanocarbon allotropes and morphologies, but the mechanism of formation is challenging to explore. Here the authors observe, by time-resolved small-angle X-ray scattering, a transient liquid phase that precedes the formation of carbon onions.

    • M. Bagge-Hansen
    • , S. Bastea
    •  & T. M. Willey

  • Article
    | Open Access

    Electrophoretic mobility shift assays are widely used in gel electrophoresis to study binding interactions between different molecular species, but these assays access only a subset of reaction possibilities. Here, the authors develop a band-collision gel electrophoresis (BCGE) approach that demonstrates a much wider variety of reaction types.

    • Dimitri A. Bikos
    •  & Thomas G. Mason

  • Article
    | Open Access

    Nonadiabatic excited state processes involve mixing of electronic and nuclear wavefunctions, which are difficult to disentangle. Here the authors explore by time-resolved X-ray absorption near edge structure the wavepacket dynamics of a copper(I)-phenanthroline complex, resolving different vibrational modes.

    • Tetsuo Katayama
    • , Thomas Northey
    •  & Thomas J. Penfold

  • Article
    | Open Access

    Excited-state molecular dynamics may be too complex to be resolved by femtosecond spectroscopic studies. Here the authors resolve the competing pathways in the excited state dynamics of methyl bromide by attosecond transient absorption spectroscopy, from excitation to fragmentation.

    • Henry Timmers
    • , Xiaolei Zhu
    •  & Stephen R. Leone

  • Article
    | Open Access

    Ultracold polar molecules are an excellent platform for quantum science but experiments so far see fast trap losses that are poorly understood. Here the authors investigate collisional losses of nonreactive RbCs, and show they are consistent with the sticky collision hypothesis, but are slower than the universal rate.

    • Philip D. Gregory
    • , Matthew D. Frye
    •  & Simon L. Cornish

  • Article
    | Open Access

    Zero-field nuclear magnetic resonance can identify species and collective behaviors in mixtures without applied magnetic fields. Here the authors demonstrate its use for resolving proton exchange in ammonium and for the detection of hyperpolarized pyruvic acid, an important imaging biomarker.

    • Danila A. Barskiy
    • , Michael C. D. Tayler
    •  & Alexander Pines

  • Article
    | Open Access

    Radiosensitisers are believed to interfere with cancer cells by dissociating upon interaction with electrons. Here the authors observe instead that the dominant path for nitroimidazolic radiosensitisers involves formation of a non-dissociated radical anion, prerequisite for their accumulation in tumour cells.

    • Rebecca Meißner
    • , Jaroslav Kočišek
    •  & Stephan Denifl

  • Article
    | Open Access

    The membrane attack complex (MAC) is a hetero-oligomeric protein assembly that kills pathogens by perforating their cell envelopes. Here, the authors use atomic force microscopy to show that MAC proteins oligomerize within the membrane, allowing them to identify the kinetic bottleneck of MAC formation.

    • Edward S. Parsons
    • , George J. Stanley
    •  & Bart W. Hoogenboom

  • Article
    | Open Access

    The reason for dolomite being widespread in ancient rocks remains an unsolved conundrum and artificial attempts to form well-ordered dolomite at ambient conditions have proven very challenging. Here, the authors provide laboratory experiments that show the acceleration of dolomite formation via dissolved zinc.

    • Veerle Vandeginste
    • , Oliver Snell
    •  & Arne Vandeginste

  • Article
    | Open Access

    Distinguishing electronic and vibrational coherences helps to clarify the near-unity efficiency of primary electron transfer in reaction centres. Here, the authors report their respective correlation with the electron transfer rate by comparing the 2D electronic spectra of three mutant reaction centres.

    • Fei Ma
    • , Elisabet Romero
    •  & Rienk van Grondelle

  • Article
    | Open Access

    Rydberg atoms can be created from photoexcitation of molecules using intense ultrafast laser pulses. Here the authors use a coincidence detection of electrons, ion and excited Rydberg atoms and their energy sharing to reveal the general mechanism of Rydberg state excitation in a dissociating H2 molecule.

    • Wenbin Zhang
    • , Xiaochun Gong
    •  & Jian Wu

  • Article
    | Open Access

    Here, the authors explore the ultrafast photodynamics of methyl anthranilate. From the quantum beat behavior, the authors find evidence for ultrafast energy redistribution processes which hinder excited state relaxation, making methyl anthranilate a poor choice for a sunscreen chemical filter.

    • Natércia d. N. Rodrigues
    • , Neil C. Cole-Filipiak
    •  & Vasilios G. Stavros

  • Article
    | Open Access

    It is known that intermolecular interactions impact electron transfer rates, but the mechanisms involved are challenging to define experimentally. Here, the authors have developed a platform that enables atomic orbital resolution of electron transfer through an explicit intermolecular interaction.

    • Cameron W. Kellett
    • , Wesley B. Swords
    •  & Curtis P. Berlinguette

  • Article
    | Open Access

    “Diffusing diffusivity” concept has been recently put forward to account for rapid structural rearrangements in soft matter and biological systems. Here the authors propose a general mathematical framework to compute the distribution of first-passage times in a dynamically heterogeneous medium.

    • Yann Lanoiselée
    • , Nicolas Moutal
    •  & Denis S. Grebenkov

  • Article
    | Open Access

    The existence of a crystalline precursor is key to perovskite film formation, but the precise chemistry of the precursor and its transformation into perovskite are poorly understood. Here, the authors identify the crystal structure and conversion chemistry of the precursor for PbCl2-derived methylammonium lead iodide perovskites.

    • Kevin H. Stone
    • , Aryeh Gold-Parker
    •  & Christopher J. Tassone

  • Article
    | Open Access

    How intrinsically disordered proteins (IDPs) undergo a coupled folding and binding reaction with their molecular targets remains to be understood. Here authors use single-molecule FRET to assess the contribution of cis/trans isomerization of peptidyl-prolyl bonds in regulating IDP interactions.

    • Franziska Zosel
    • , Davide Mercadante
    •  & Benjamin Schuler

  • Article
    | Open Access

    A widely-assumed principle of chemical reactivity is that, for elementary reactions, higher activation barriers lead to slower reactions. Here, the authors show that some intramolecular electron transfer processes become faster as their apparent activation energies increase, contradicting chemical intuition.

    • Kamila K. Mentel
    • , Arménio Serra
    •  & Luis G. Arnaut

  • Article
    | Open Access

    Multidimensional spectroscopy is a powerful tool in exploring photo-induced dynamics and electron coupling processes in molecules. Here the authors demonstrate coherent two-dimensional electronic mass spectrometry on molecular beams and its application to photoionization studies of the NO2 molecule.

    • Sebastian Roeding
    •  & Tobias Brixner

  • Article
    | Open Access

    Molecular solar thermal systems are promising for storing solar energy but achieving high energy storage densities and absorption characteristics matching the solar spectrum is challenging. Here the authors present a design strategy for electronically coupled photoswitches which allow for high energy density storage for solar energy storage applications.

    • Mads Mansø
    • , Anne Ugleholdt Petersen
    •  & Kasper Moth-Poulsen

  • Article
    | Open Access

    Chemical reactions with ultracold atoms and ions are explored so far with the atom–ion interactions. Here the authors discuss spin-exchange process and show that the spin state of an ensemble of neutral Rb atoms can be used to control the final spin of an imbedded Sr+ ion in the collisions.

    • Tomas Sikorsky
    • , Ziv Meir
    •  & Roee Ozeri

  • Article
    | Open Access

    Hydrogen-bonds are widely found in many systems, such as DNAs and supramolecular assemblies, but it remains challenging to detect their dynamics at a molecular level. Here, Zhou et al. study the stochastic arrangement of hydrogen bonds using single-molecule junctions connected to graphene electrodes.

    • Ce Zhou
    • , Xingxing Li
    •  & Xuefeng Guo

  • Article
    | Open Access

    Understanding the behavior and structural transformation of metal species under reaction conditions is instrumental for developing more efficient and stable catalysts. Here, the authors reveal the evolution and stabilization of subnanometric Pt species confined in MCM-22 zeolite using in situ transmission electron microscopy.

    • Lichen Liu
    • , Dmitri N. Zakharov
    •  & Avelino Corma

  • Article
    | Open Access

    Proton motive forces are central for life but it is not well understood how these pH gradients emerged at the beginning of life. Here the authors show that heat flow across a water-filled chamber forms and sustains stable pH gradients and support their experimental findings with simulations.

    • Lorenz M. R. Keil
    • , Friederike M. Möller
    •  & Christof B. Mast

  • Article
    | Open Access

    Strong laser light can intervene and modify the dynamical processes of matter. Here, the authors show how an intense laser field affects the spatial distribution of fragments in a molecular bond-breaking process, and how the intensity of this laser field can be used as an external knob to control it.

    • María E. Corrales
    • , Rebeca de Nalda
    •  & Luis Bañares

  • Article
    | Open Access

    Binding and unbinding kinetics are important determinants of protein-protein or small molecule protein functional interactions that can guide drug development. Here the authors exploit the multi-ensemble Markov model framework to develop a computational approach that allows the estimation of binding kinetics reaching into the seconds timescale.

    • Fabian Paul
    • , Christoph Wehmeyer
    •  & Frank Noé

  • Article
    | Open Access

    The competition between chemical reactions critically affects our natural environment and the synthesis of new materials. Here, the authors present an approach to directly image distinct fingerprints of essential organic reactions and monitor their competition as a function of steric substitution.

    • Eduardo Carrascosa
    • , Jennifer Meyer
    •  & Roland Wester

  • Article
    | Open Access

    Ion exchange at charged mineral-water interfaces is an important geochemical process, but a molecular-level understanding is still required. Here, the authors probe real-time variations of the interfacial ion exchange dynamics at the muscovite-water interface, providing a general picture of adsorbed ion coverage and speciation.

    • Sang Soo Lee
    • , Paul Fenter
    •  & Neil C. Sturchio

  • Article
    | Open Access

    The rates of acid-catalysed reactions vary in constrained environments. Here the authors show that molecularly sized pores greatly promote aqueous phase alcohol dehydration by enhancing the association between substrate and hydronium ions, and even by lowering the free energy barrier.

    • Hui Shi
    • , Sebastian Eckstein
    •  & Johannes A. Lercher

  • Article
    | Open Access

    Abundant molecular oxygen was discovered recently in the coma of comet 67P, thought to be of primordial origin. Here, the authors propose a dynamic reaction mechanism for cometary comae, which produces O2directly in single collisions of energetic water ions with oxidized cometary surface analogues.

    • Yunxi Yao
    •  & Konstantinos P. Giapis

  • Article
    | Open Access

    The atomic mechanisms of reversible phase transitions are challenging to probe experimentally. Here, the authors induce melting and freezing processes in bismuth nanoparticles inside a high-resolution electron microscope, observing the atom-level stages of this phase transition pathway in real time.

    • Yingxuan Li
    • , Ling Zang
    •  & Chuanyi Wang

  • Article
    | Open Access

    STM is capable of imaging the configurations of molecules on surfaces and measuring the rate of transitions between them. Here the authors demonstrate that, controlled by the STM tip position, the entropic and conservative forces on the molecule can modify the rate by orders of magnitude.

    • J. C. Gehrig
    • , M. Penedo
    •  & H. J. Hug

  • Article
    | Open Access

    It is commonly held that van der Waals wells are inevitable in chemical reactions. Here, the authors show that weak van der Waals forces in the entrance channel of a prototypical complex-forming reaction cause a van der Waals saddle instead, with different dynamical effects from a well at low collision energies.

    • Zhitao Shen
    • , Haitao Ma
    •  & Jianwei Cao

  • Article
    | Open Access

    Understanding bimetallic alloy oxidation is key to design of hollow-structured binary oxides and their optimization for applications, e.g., as catalysts. Here the authors combine real-time imaging and chemically-sensitive electron tomography to uncover unexpected complexity in possible morphological outcomes of bimetallic oxidation.

    • Lili Han
    • , Qingping Meng
    •  & Huolin L. Xin

  • Article
    | Open Access

    Polymer mechanochemistry offers opportunities to control and engineer desired chemical transformations. Here, Craig and co-workers present a mechanical gating system whereby one mechanophore modulates the reactivity of another, resulting in a mechanochemical cascade reaction.

    • Junpeng Wang
    • , Tatiana B. Kouznetsova
    •  & Stephen L. Craig

  • Article
    | Open Access

    Propensity for a given Λ-doublet level is a common feature in many chemical reactions, but has so far remained unexplained. Here, the authors show how to predict computationally those propensities and relate them to the reaction mechanism on concurrent potential energy surfaces.

    • P. G. Jambrina
    • , A. Zanchet
    •  & F. J. Aoiz

  • Article
    | Open Access

    Indium arsenide quantum dots are promising materials for short-wavelength infrared emissive applications. Here, the authors investigate the kinetics of indium arsenide nanocrystal growth and design large quantum dots with narrow emission wavelengths which can be used for through-skull fluorescence imaging.

    • Daniel Franke
    • , Daniel K. Harris
    •  & Moungi G. Bawendi

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