[{"date_created":"2024-01-17T12:48:35Z","department":[{"_id":"MaIb"}],"language":[{"iso":"eng"}],"scopus_import":"1","publisher":"American Chemical Society","oaworkID":1,"article_type":"original","date_published":"2024-01-08T00:00:00Z","month":"01","page":"214-229","publication":"ACS Applied Energy Materials","issue":"1","status":"public","intvolume":"         7","type":"journal_article","day":"08","isi":1,"external_id":{"isi":["001138342900001"],"oaworkID":["w4389780443"]},"title":"Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity","doi":"10.1021/acsaem.3c02519","year":"2024","quality_controlled":"1","oa_version":"None","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","acknowledgement":"This work was supported by the Technology Innovation Program (20011622, Development of Battery System Applied High-Efficiency Heat Control Polymer and Part Component) funded by the Ministry of Trade, Industry & Energy (MOTIE, Korea). Author acknowledge to Prof. Tsunehiro Takeuchi from Toyota Technological Institute, Nagoya, Japan for the support of computational resources.","publication_identifier":{"issn":["2574-0962"]},"_id":"14828","article_processing_charge":"No","date_updated":"2025-07-22T14:07:29Z","volume":7,"author":[{"first_name":"Gundegowda Kalligowdanadoddi","last_name":"Kiran","full_name":"Kiran, Gundegowda Kalligowdanadoddi"},{"id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","last_name":"Singh","full_name":"Singh, Saurabh","orcid":"0000-0003-2209-5269","first_name":"Saurabh"},{"last_name":"Mahato","full_name":"Mahato, Neelima","first_name":"Neelima"},{"first_name":"Thupakula Venkata Madhukar","full_name":"Sreekanth, Thupakula Venkata Madhukar","last_name":"Sreekanth"},{"first_name":"Gowra Raghupathy","last_name":"Dillip","full_name":"Dillip, Gowra Raghupathy"},{"last_name":"Yoo","full_name":"Yoo, Kisoo","first_name":"Kisoo"},{"last_name":"Kim","full_name":"Kim, Jonghoon","first_name":"Jonghoon"}],"keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"abstract":[{"lang":"eng","text":"Production of hydrogen at large scale requires development of non-noble, inexpensive, and high-performing catalysts for constructing water-splitting devices. Herein, we report the synthesis of Zn-doped NiO heterostructure (ZnNiO) catalysts at room temperature via a coprecipitation method followed by drying (at 80 °C, 6 h) and calcination at an elevated temperature of 400 °C for 5 h under three distinct conditions, namely, air, N2, and vacuum. The vacuum-synthesized catalyst demonstrates a low overpotential of 88 mV at −10 mA cm–2 and a small Tafel slope of 73 mV dec–1 suggesting relatively higher charge transfer kinetics for hydrogen evolution reactions (HER) compared with the specimens synthesized under N2 or O2 atmosphere. It also demonstrates an oxygen evolution (OER) overpotential of 260 mV at 10 mA cm–2 with a low Tafel slope of 63 mV dec–1. In a full-cell water-splitting device, the vacuum-synthesized ZnNiO heterostructure demonstrates a cell voltage of 1.94 V at 50 mA cm–2 and shows remarkable stability over 24 h at a high current density of 100 mA cm–2. It is also demonstrated in this study that Zn-doping, surface, and interface engineering in transition-metal oxides play a crucial role in efficient electrocatalytic water splitting. Also, the results obtained from density functional theory (DFT + U = 0–8 eV), where U is the on-site Coulomb repulsion parameter also known as Hubbard U, based electronic structure calculations confirm that Zn doping constructively modifies the electronic structure, in both the valence band and the conduction band, and found to be suitable in tailoring the carrier’s effective masses of electrons and holes. The decrease in electron’s effective masses together with large differences between the effective masses of electrons and holes is noticed, which is found to be mainly responsible for achieving the best water-splitting performance from a 9% Zn-doped NiO sample prepared under vacuum."}],"citation":{"chicago":"Kiran, Gundegowda Kalligowdanadoddi, Saurabh Singh, Neelima Mahato, Thupakula Venkata Madhukar Sreekanth, Gowra Raghupathy Dillip, Kisoo Yoo, and Jonghoon Kim. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2024. <a href=\"https://doi.org/10.1021/acsaem.3c02519\">https://doi.org/10.1021/acsaem.3c02519</a>.","apa":"Kiran, G. K., Singh, S., Mahato, N., Sreekanth, T. V. M., Dillip, G. R., Yoo, K., &#38; Kim, J. (2024). Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.3c02519\">https://doi.org/10.1021/acsaem.3c02519</a>","ieee":"G. K. Kiran <i>et al.</i>, “Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity,” <i>ACS Applied Energy Materials</i>, vol. 7, no. 1. American Chemical Society, pp. 214–229, 2024.","ista":"Kiran GK, Singh S, Mahato N, Sreekanth TVM, Dillip GR, Yoo K, Kim J. 2024. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. 7(1), 214–229.","short":"G.K. Kiran, S. Singh, N. Mahato, T.V.M. Sreekanth, G.R. Dillip, K. Yoo, J. Kim, ACS Applied Energy Materials 7 (2024) 214–229.","ama":"Kiran GK, Singh S, Mahato N, et al. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. <i>ACS Applied Energy Materials</i>. 2024;7(1):214-229. doi:<a href=\"https://doi.org/10.1021/acsaem.3c02519\">10.1021/acsaem.3c02519</a>","mla":"Kiran, Gundegowda Kalligowdanadoddi, et al. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” <i>ACS Applied Energy Materials</i>, vol. 7, no. 1, American Chemical Society, 2024, pp. 214–29, doi:<a href=\"https://doi.org/10.1021/acsaem.3c02519\">10.1021/acsaem.3c02519</a>."},"publication_status":"published"},{"status":"public","day":"28","type":"journal_article","publication":"ACS Applied Energy Materials","publisher":"American Chemical Society","language":[{"iso":"eng"}],"month":"12","date_published":"2023-12-28T00:00:00Z","article_type":"original","date_created":"2024-01-05T09:20:48Z","has_accepted_license":"1","department":[{"_id":"StFr"}],"abstract":[{"lang":"eng","text":"Redox flow batteries (RFBs) rely on the development of cheap, highly soluble, and high-energy-density electrolytes. Several candidate quinones have already been investigated in the literature as two-electron anolytes or catholytes, benefiting from fast kinetics, high tunability, and low cost. Here, an investigation of nitrogen-rich fused heteroaromatic quinones was carried out to explore avenues for electrolyte development. These quinones were synthesized and screened by using electrochemical techniques. The most promising candidate, 4,8-dioxo-4,8-dihydrobenzo[1,2-d:4,5-d′]bis([1,2,3]triazole)-1,5-diide (−0.68 V(SHE)), was tested in both an asymmetric and symmetric full-cell setup resulting in capacity fade rates of 0.35% per cycle and 0.0124% per cycle, respectively. In situ ultraviolet-visible spectroscopy (UV–Vis), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR) spectroscopies were used to investigate the electrochemical stability of the charged species during operation. UV–Vis spectroscopy, supported by density functional theory (DFT) modeling, reaffirmed that the two-step charging mechanism observed during battery operation consisted of two, single-electron transfers. The radical concentration during battery operation and the degree of delocalization of the unpaired electron were quantified with NMR and EPR spectroscopy."}],"keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"author":[{"first_name":"Rajesh B","orcid":"0000-0002-0404-4356","full_name":"Jethwa, Rajesh B","last_name":"Jethwa","id":"4cc538d5-803f-11ed-ab7e-8139573aad8f"},{"last_name":"Hey","full_name":"Hey, Dominic","first_name":"Dominic"},{"first_name":"Rachel N.","last_name":"Kerber","full_name":"Kerber, Rachel N."},{"first_name":"Andrew D.","full_name":"Bond, Andrew D.","last_name":"Bond"},{"first_name":"Dominic S.","last_name":"Wright","full_name":"Wright, Dominic S."},{"first_name":"Clare P.","last_name":"Grey","full_name":"Grey, Clare P."}],"citation":{"ieee":"R. B. Jethwa, D. Hey, R. N. Kerber, A. D. Bond, D. S. Wright, and C. P. Grey, “Exploring the landscape of heterocyclic quinones for redox flow batteries,” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2023.","apa":"Jethwa, R. B., Hey, D., Kerber, R. N., Bond, A. D., Wright, D. S., &#38; Grey, C. P. (2023). Exploring the landscape of heterocyclic quinones for redox flow batteries. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.3c02223\">https://doi.org/10.1021/acsaem.3c02223</a>","chicago":"Jethwa, Rajesh B, Dominic Hey, Rachel N. Kerber, Andrew D. Bond, Dominic S. Wright, and Clare P. Grey. “Exploring the Landscape of Heterocyclic Quinones for Redox Flow Batteries.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsaem.3c02223\">https://doi.org/10.1021/acsaem.3c02223</a>.","ama":"Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. Exploring the landscape of heterocyclic quinones for redox flow batteries. <i>ACS Applied Energy Materials</i>. 2023. doi:<a href=\"https://doi.org/10.1021/acsaem.3c02223\">10.1021/acsaem.3c02223</a>","mla":"Jethwa, Rajesh B., et al. “Exploring the Landscape of Heterocyclic Quinones for Redox Flow Batteries.” <i>ACS Applied Energy Materials</i>, American Chemical Society, 2023, doi:<a href=\"https://doi.org/10.1021/acsaem.3c02223\">10.1021/acsaem.3c02223</a>.","ista":"Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. 2023. Exploring the landscape of heterocyclic quinones for redox flow batteries. ACS Applied Energy Materials.","short":"R.B. Jethwa, D. Hey, R.N. Kerber, A.D. Bond, D.S. Wright, C.P. Grey, ACS Applied Energy Materials (2023)."},"publication_status":"epub_ahead","publication_identifier":{"eissn":["2574-0962"]},"_id":"14733","project":[{"call_identifier":"H2020","name":"IST-BRIDGE: International postdoctoral program","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","grant_number":"101034413"}],"oa_version":"Published Version","quality_controlled":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","article_processing_charge":"Yes (in subscription journal)","oa":1,"date_updated":"2024-01-08T09:03:01Z","title":"Exploring the landscape of heterocyclic quinones for redox flow batteries","year":"2023","doi":"10.1021/acsaem.3c02223","ec_funded":1,"ddc":["540"],"tmp":{"image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"main_file_link":[{"url":"https://doi.org/10.1021/acsaem.3c02223","open_access":"1"}]},{"abstract":[{"lang":"eng","text":"Catalysis, the acceleration of product formation by a substance that is left unchanged, typically results from multiple elementary processes, including diffusion of the reactants toward the catalyst, chemical steps, and release of the products. While efforts to design catalysts are often focused on accelerating the chemical reaction on the catalyst, catalysis is a global property of the catalytic cycle that involves all processes. These are controlled by both intrinsic parameters such as the composition and shape of the catalyst and extrinsic parameters such as the concentration of the chemical species at play. We examine here the conditions that catalysis imposes on the different steps of a reaction cycle and the respective role of intrinsic and extrinsic parameters of the system on the emergence of catalysis by using an approach based on first-passage times. We illustrate this approach for various decompositions of a catalytic cycle into elementary steps, including non-Markovian decompositions, which are useful when the presence and nature of intermediate states are a priori unknown. Our examples cover different types of reactions and clarify the constraints on elementary steps and the impact of species concentrations on catalysis."}],"keyword":["Materials Chemistry","Surfaces","Coatings and Films","Physical and Theoretical Chemistry"],"author":[{"full_name":"Sakref, Yann","last_name":"Sakref","first_name":"Yann"},{"orcid":"0000-0003-1483-1457","full_name":"Muñoz Basagoiti, Maitane","last_name":"Muñoz Basagoiti","first_name":"Maitane","id":"1a8a7950-82cd-11ed-bd4f-9624c913a607"},{"first_name":"Zorana","full_name":"Zeravcic, Zorana","last_name":"Zeravcic"},{"first_name":"Olivier","last_name":"Rivoire","full_name":"Rivoire, Olivier"}],"publication_status":"published","citation":{"mla":"Sakref, Yann, et al. “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” <i>The Journal of Physical Chemistry B</i>, vol. 127, no. 51, American Chemical Society, 2023, pp. 10950–59, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">10.1021/acs.jpcb.3c04627</a>.","ama":"Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. On kinetic constraints that catalysis imposes on elementary processes. <i>The Journal of Physical Chemistry B</i>. 2023;127(51):10950-10959. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">10.1021/acs.jpcb.3c04627</a>","short":"Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, O. Rivoire, The Journal of Physical Chemistry B 127 (2023) 10950–10959.","ista":"Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. 2023. On kinetic constraints that catalysis imposes on elementary processes. The Journal of Physical Chemistry B. 127(51), 10950–10959.","ieee":"Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, and O. Rivoire, “On kinetic constraints that catalysis imposes on elementary processes,” <i>The Journal of Physical Chemistry B</i>, vol. 127, no. 51. American Chemical Society, pp. 10950–10959, 2023.","apa":"Sakref, Y., Muñoz Basagoiti, M., Zeravcic, Z., &#38; Rivoire, O. (2023). On kinetic constraints that catalysis imposes on elementary processes. <i>The Journal of Physical Chemistry B</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">https://doi.org/10.1021/acs.jpcb.3c04627</a>","chicago":"Sakref, Yann, Maitane Muñoz Basagoiti, Zorana Zeravcic, and Olivier Rivoire. “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” <i>The Journal of Physical Chemistry B</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">https://doi.org/10.1021/acs.jpcb.3c04627</a>."},"_id":"14831","publication_identifier":{"issn":["1520-6106"],"eissn":["1520-5207"]},"acknowledgement":"We acknowledge funding from ANR-22-CE06-0037-02. This work has received funding from the European Unions Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754387.","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Preprint","quality_controlled":"1","arxiv":1,"volume":127,"date_updated":"2024-01-23T07:58:27Z","oa":1,"article_processing_charge":"No","title":"On kinetic constraints that catalysis imposes on elementary processes","external_id":{"isi":["001134068000001"],"arxiv":["2312.15940"]},"doi":"10.1021/acs.jpcb.3c04627","year":"2023","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2312.15940"}],"isi":1,"intvolume":"       127","status":"public","day":"13","type":"journal_article","issue":"51","publication":"The Journal of Physical Chemistry B","page":"10950-10959","publisher":"American Chemical Society","language":[{"iso":"eng"}],"month":"12","article_type":"original","date_published":"2023-12-13T00:00:00Z","date_created":"2024-01-18T07:47:11Z","department":[{"_id":"AnSa"}]},{"doi":"10.1038/s42004-022-00658-8","year":"2022","title":"Encapsulation within a coordination cage modulates the reactivity of redox-active dyes","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1038/s42004-022-00658-8"}],"article_number":"44","publication_status":"published","citation":{"mla":"Yanshyna, Oksana, et al. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” <i>Communications Chemistry</i>, vol. 5, 44, Springer Nature, 2022, doi:<a href=\"https://doi.org/10.1038/s42004-022-00658-8\">10.1038/s42004-022-00658-8</a>.","ama":"Yanshyna O, Białek MJ, Chashchikhin OV, Klajn R. Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. <i>Communications Chemistry</i>. 2022;5. doi:<a href=\"https://doi.org/10.1038/s42004-022-00658-8\">10.1038/s42004-022-00658-8</a>","short":"O. Yanshyna, M.J. Białek, O.V. Chashchikhin, R. Klajn, Communications Chemistry 5 (2022).","ista":"Yanshyna O, Białek MJ, Chashchikhin OV, Klajn R. 2022. Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. Communications Chemistry. 5, 44.","apa":"Yanshyna, O., Białek, M. J., Chashchikhin, O. V., &#38; Klajn, R. (2022). Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. <i>Communications Chemistry</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s42004-022-00658-8\">https://doi.org/10.1038/s42004-022-00658-8</a>","ieee":"O. Yanshyna, M. J. Białek, O. V. Chashchikhin, and R. Klajn, “Encapsulation within a coordination cage modulates the reactivity of redox-active dyes,” <i>Communications Chemistry</i>, vol. 5. Springer Nature, 2022.","chicago":"Yanshyna, Oksana, Michał J. Białek, Oleg V. Chashchikhin, and Rafal Klajn. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” <i>Communications Chemistry</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s42004-022-00658-8\">https://doi.org/10.1038/s42004-022-00658-8</a>."},"keyword":["Materials Chemistry","Biochemistry","Environmental Chemistry","General Chemistry"],"author":[{"first_name":"Oksana","full_name":"Yanshyna, Oksana","last_name":"Yanshyna"},{"first_name":"Michał J.","full_name":"Białek, Michał J.","last_name":"Białek"},{"first_name":"Oleg V.","last_name":"Chashchikhin","full_name":"Chashchikhin, Oleg V."},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","full_name":"Klajn, Rafal","first_name":"Rafal"}],"abstract":[{"text":"Confining molecules within well-defined nanosized spaces can profoundly alter their physicochemical characteristics. For example, the controlled aggregation of chromophores into discrete oligomers has been shown to tune their optical properties whereas encapsulation of reactive species within molecular hosts can increase their stability. The resazurin/resorufin pair has been widely used for detecting redox processes in biological settings; yet, how tight confinement affects the properties of these two dyes remains to be explored. Here, we show that a flexible Pd<jats:sup>II</jats:sup><jats:sub>6</jats:sub>L<jats:sub>4</jats:sub> coordination cage can efficiently encapsulate both resorufin and resazurin in the form of dimers, dramatically modulating their optical properties. Furthermore, binding within the cage significantly decreases the reduction rate of resazurin to resorufin, and the rate of the subsequent reduction of resorufin to dihydroresorufin. During our studies, we also found that upon dilution, the Pd<jats:sup>II</jats:sup><jats:sub>6</jats:sub>L<jats:sub>4</jats:sub> cage disassembles to afford Pd<jats:sup>II</jats:sup><jats:sub>2</jats:sub>L<jats:sub>2</jats:sub> species, which lacks the ability to form inclusion complexes – a process that can be reversed upon the addition of the strongly binding resorufin/resazurin guests. We expect that the herein disclosed ability of a water-soluble cage to reversibly modulate the optical and chemical properties of a molecular redox probe will expand the versatility of synthetic fluorescent probes in biologically relevant environments.","lang":"eng"}],"volume":5,"oa":1,"date_updated":"2023-08-02T06:41:54Z","article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","quality_controlled":"1","_id":"13347","extern":"1","publication_identifier":{"eissn":["2399-3669"]},"article_type":"original","date_published":"2022-03-30T00:00:00Z","month":"03","language":[{"iso":"eng"}],"publisher":"Springer Nature","scopus_import":"1","date_created":"2023-08-01T09:30:47Z","type":"journal_article","day":"30","status":"public","intvolume":"         5","publication":"Communications Chemistry"},{"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1016/j.chempr.2022.05.008"}],"year":"2022","doi":"10.1016/j.chempr.2022.05.008","external_id":{"pmid":["36133801"]},"title":"Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence","oa":1,"volume":8,"date_updated":"2023-08-02T09:39:35Z","article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","quality_controlled":"1","pmid":1,"_id":"13350","publication_identifier":{"eissn":["2451-9294"],"issn":["2451-9308"]},"extern":"1","publication_status":"published","citation":{"apa":"Gemen, J., Białek, M. J., Kazes, M., Shimon, L. J. W., Feller, M., Semenov, S. N., … Klajn, R. (2022). Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">https://doi.org/10.1016/j.chempr.2022.05.008</a>","ieee":"J. Gemen <i>et al.</i>, “Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence,” <i>Chem</i>, vol. 8, no. 9. Elsevier, pp. 2362–2379, 2022.","chicago":"Gemen, Julius, Michał J. Białek, Miri Kazes, Linda J.W. Shimon, Moran Feller, Sergey N. Semenov, Yael Diskin-Posner, Dan Oron, and Rafal Klajn. “Ternary Host-Guest Complexes with Rapid Exchange Kinetics and Photoswitchable Fluorescence.” <i>Chem</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">https://doi.org/10.1016/j.chempr.2022.05.008</a>.","ama":"Gemen J, Białek MJ, Kazes M, et al. Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. <i>Chem</i>. 2022;8(9):2362-2379. doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">10.1016/j.chempr.2022.05.008</a>","mla":"Gemen, Julius, et al. “Ternary Host-Guest Complexes with Rapid Exchange Kinetics and Photoswitchable Fluorescence.” <i>Chem</i>, vol. 8, no. 9, Elsevier, 2022, pp. 2362–79, doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">10.1016/j.chempr.2022.05.008</a>.","short":"J. Gemen, M.J. Białek, M. Kazes, L.J.W. Shimon, M. Feller, S.N. Semenov, Y. Diskin-Posner, D. Oron, R. Klajn, Chem 8 (2022) 2362–2379.","ista":"Gemen J, Białek MJ, Kazes M, Shimon LJW, Feller M, Semenov SN, Diskin-Posner Y, Oron D, Klajn R. 2022. Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. Chem. 8(9), 2362–2379."},"author":[{"first_name":"Julius","full_name":"Gemen, Julius","last_name":"Gemen"},{"first_name":"Michał J.","full_name":"Białek, Michał J.","last_name":"Białek"},{"first_name":"Miri","full_name":"Kazes, Miri","last_name":"Kazes"},{"full_name":"Shimon, Linda J.W.","last_name":"Shimon","first_name":"Linda J.W."},{"first_name":"Moran","last_name":"Feller","full_name":"Feller, Moran"},{"first_name":"Sergey N.","last_name":"Semenov","full_name":"Semenov, Sergey N."},{"full_name":"Diskin-Posner, Yael","last_name":"Diskin-Posner","first_name":"Yael"},{"first_name":"Dan","full_name":"Oron, Dan","last_name":"Oron"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","full_name":"Klajn, Rafal","last_name":"Klajn"}],"keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"abstract":[{"text":"Confinement within molecular cages can dramatically modify the physicochemical properties of the encapsulated guest molecules, but such host-guest complexes have mainly been studied in a static context. Combining confinement effects with fast guest exchange kinetics could pave the way toward stimuli-responsive supramolecular systems—and ultimately materials—whose desired properties could be tailored “on demand” rapidly and reversibly. Here, we demonstrate rapid guest exchange between inclusion complexes of an open-window coordination cage that can simultaneously accommodate two guest molecules. Working with two types of guests, anthracene derivatives and BODIPY dyes, we show that the former can substantially modify the optical properties of the latter upon noncovalent heterodimer formation. We also studied the light-induced covalent dimerization of encapsulated anthracenes and found large effects of confinement on reaction rates. By coupling the photodimerization with the rapid guest exchange, we developed a new way to modulate fluorescence using external irradiation.","lang":"eng"}],"date_created":"2023-08-01T09:32:14Z","date_published":"2022-09-08T00:00:00Z","article_type":"original","month":"09","language":[{"iso":"eng"}],"publisher":"Elsevier","scopus_import":"1","page":"2362-2379","issue":"9","publication":"Chem","type":"journal_article","day":"08","status":"public","intvolume":"         8"},{"publication":"Chem","issue":"5","page":"1183-1186","intvolume":"         8","status":"public","day":"12","type":"journal_article","date_created":"2023-08-01T09:32:27Z","scopus_import":"1","publisher":"Elsevier","language":[{"iso":"eng"}],"month":"05","article_type":"original","date_published":"2022-05-12T00:00:00Z","extern":"1","publication_identifier":{"issn":["2451-9308"],"eissn":["2451-9294"]},"_id":"13351","oa_version":"Published Version","quality_controlled":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","article_processing_charge":"No","date_updated":"2023-08-02T07:24:57Z","volume":8,"oa":1,"abstract":[{"lang":"eng","text":"Molecular recognition is at the heart of the noncovalent synthesis of supramolecular assemblies and, at higher length scales, supramolecular materials. In a recent publication in Nature, Stoddart and co-workers demonstrate that the formation of host-guest complexes can be catalyzed by one of the simplest possible catalysts: the electron."}],"author":[{"first_name":"Julius","full_name":"Gemen, Julius","last_name":"Gemen"},{"first_name":"Rafal","full_name":"Klajn, Rafal","last_name":"Klajn","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"}],"keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"citation":{"short":"J. Gemen, R. Klajn, Chem 8 (2022) 1183–1186.","ista":"Gemen J, Klajn R. 2022. Electron catalysis expands the supramolecular chemist’s toolbox. Chem. 8(5), 1183–1186.","ama":"Gemen J, Klajn R. Electron catalysis expands the supramolecular chemist’s toolbox. <i>Chem</i>. 2022;8(5):1183-1186. doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">10.1016/j.chempr.2022.04.022</a>","mla":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” <i>Chem</i>, vol. 8, no. 5, Elsevier, 2022, pp. 1183–86, doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">10.1016/j.chempr.2022.04.022</a>.","chicago":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” <i>Chem</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">https://doi.org/10.1016/j.chempr.2022.04.022</a>.","ieee":"J. Gemen and R. Klajn, “Electron catalysis expands the supramolecular chemist’s toolbox,” <i>Chem</i>, vol. 8, no. 5. Elsevier, pp. 1183–1186, 2022.","apa":"Gemen, J., &#38; Klajn, R. (2022). Electron catalysis expands the supramolecular chemist’s toolbox. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">https://doi.org/10.1016/j.chempr.2022.04.022</a>"},"publication_status":"published","main_file_link":[{"url":"https://doi.org/10.1016/j.chempr.2022.04.022","open_access":"1"}],"title":"Electron catalysis expands the supramolecular chemist’s toolbox","year":"2022","doi":"10.1016/j.chempr.2022.04.022"},{"language":[{"iso":"eng"}],"scopus_import":"1","publisher":"Royal Society of Chemistry","article_type":"original","date_published":"2022-01-22T00:00:00Z","month":"01","date_created":"2023-08-01T09:32:55Z","status":"public","intvolume":"        58","type":"journal_article","day":"22","page":"3461-3464","publication":"Chemical Communications","issue":"21","external_id":{"pmid":["35064258"]},"title":"Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine","doi":"10.1039/d1cc07081a","year":"2022","main_file_link":[{"url":"https://doi.org/10.1039/D1CC07081A","open_access":"1"}],"author":[{"first_name":"Oksana","last_name":"Yanshyna","full_name":"Yanshyna, Oksana"},{"first_name":"Liat","last_name":"Avram","full_name":"Avram, Liat"},{"first_name":"Linda J. W.","last_name":"Shimon","full_name":"Shimon, Linda J. W."},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","full_name":"Klajn, Rafal","last_name":"Klajn"}],"keyword":["Materials Chemistry","Metals and Alloys","Surfaces","Coatings and Films","General Chemistry","Ceramics and Composites","Electronic","Optical and Magnetic Materials","Catalysis"],"abstract":[{"text":"We show that the optical properties of indigo carmine can be modulated by encapsulation within a coordination cage. Depending on the host/guest molar ratio, the cage can predominantly encapsulate either one or two dye molecules. The 1 : 1 complex is fluorescent, unique for an indigo dye in an aqueous solution. We have also found that binding two dye molecules stabilizes a previously unknown conformation of the cage.","lang":"eng"}],"citation":{"apa":"Yanshyna, O., Avram, L., Shimon, L. J. W., &#38; Klajn, R. (2022). Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. <i>Chemical Communications</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d1cc07081a\">https://doi.org/10.1039/d1cc07081a</a>","ieee":"O. Yanshyna, L. Avram, L. J. W. Shimon, and R. Klajn, “Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine,” <i>Chemical Communications</i>, vol. 58, no. 21. Royal Society of Chemistry, pp. 3461–3464, 2022.","chicago":"Yanshyna, Oksana, Liat Avram, Linda J. W. Shimon, and Rafal Klajn. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” <i>Chemical Communications</i>. Royal Society of Chemistry, 2022. <a href=\"https://doi.org/10.1039/d1cc07081a\">https://doi.org/10.1039/d1cc07081a</a>.","ama":"Yanshyna O, Avram L, Shimon LJW, Klajn R. Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. <i>Chemical Communications</i>. 2022;58(21):3461-3464. doi:<a href=\"https://doi.org/10.1039/d1cc07081a\">10.1039/d1cc07081a</a>","mla":"Yanshyna, Oksana, et al. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” <i>Chemical Communications</i>, vol. 58, no. 21, Royal Society of Chemistry, 2022, pp. 3461–64, doi:<a href=\"https://doi.org/10.1039/d1cc07081a\">10.1039/d1cc07081a</a>.","ista":"Yanshyna O, Avram L, Shimon LJW, Klajn R. 2022. Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. Chemical Communications. 58(21), 3461–3464.","short":"O. Yanshyna, L. Avram, L.J.W. Shimon, R. Klajn, Chemical Communications 58 (2022) 3461–3464."},"publication_status":"published","quality_controlled":"1","oa_version":"Published Version","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","extern":"1","publication_identifier":{"eissn":["1364-548X"],"issn":["1359-7345"]},"_id":"13353","pmid":1,"article_processing_charge":"No","volume":58,"oa":1,"date_updated":"2023-08-02T09:46:51Z"},{"abstract":[{"text":"Polydicyclopentadiene (pDCPD), a thermoset with excellent mechanical properties, has enormous potential as a lightweight, tough, and stable matrix material owing to its highly cross-linked macromolecular network. This work describes generating pDCPD-based foams and hierarchically porous carbons derived therefrom by combining ring-opening metathesis polymerization (ROMP) of DCPD, high internal phase emulsions (HIPEs) as structural templates, and subsequent carbonization. The structure and function of the carbon foams were characterized and discussed in detail using scanning electron, transmission electron, or atomic force microscopy (SEM, TEM, AFM), electron energy-loss spectroscopy (TEM-EELS), N2 sorption, and analyses of electrical conductivity as well as mechanical properties. The resulting materials exhibited uniform, shape-retaining shrinkage of only ∼1/3 after carbonization. No structural failure was observed even when the pDCPD precursor foams were heated to 1400 °C. Instead, the high porosity, void size, and 3D interconnectivity were fully preserved, and the void diameters could be adjusted between 87 and 2.5 μm. Moreover, foams have a carbon content >97%, an electronic conductivity of up to 2800 S·m–1, a Young’s modulus of up to 2.1 GPa, and a specific surface area of up to 1200 m2·g–1. Surprisingly, the pDCPD foams were carbonized into shapes other than monoliths, such as 10’s of micron thick membranes or foamy coatings adhered to a metal foil or grid substrate. The latter coatings even adhere upon bending. Finally, as a use case, carbonized foams were applied as porous cathodes for Li–O2 batteries where the foams show a favorable combination of porosity, active surface area, and pore size for outstanding capacity.","lang":"eng"}],"keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"author":[{"first_name":"Sebastijan","last_name":"Kovačič","full_name":"Kovačič, Sebastijan"},{"full_name":"Schafzahl, Bettina","last_name":"Schafzahl","first_name":"Bettina"},{"last_name":"Matsko","full_name":"Matsko, Nadejda B.","first_name":"Nadejda B."},{"first_name":"Katharina","last_name":"Gruber","full_name":"Gruber, Katharina"},{"first_name":"Martin","last_name":"Schmuck","full_name":"Schmuck, Martin"},{"first_name":"Stefan","last_name":"Koller","full_name":"Koller, Stefan"},{"id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","orcid":"0000-0003-2902-5319"},{"full_name":"Slugovc, Christian","last_name":"Slugovc","first_name":"Christian"}],"citation":{"ama":"Kovačič S, Schafzahl B, Matsko NB, et al. Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. <i>ACS Applied Energy Materials</i>. 2022;5(11):14381-14390. doi:<a href=\"https://doi.org/10.1021/acsaem.2c02787\">10.1021/acsaem.2c02787</a>","mla":"Kovačič, Sebastijan, et al. “Carbon Foams via Ring-Opening Metathesis Polymerization of Emulsion Templates: A Facile Method to Make Carbon Current Collectors for Battery Applications.” <i>ACS Applied Energy Materials</i>, vol. 5, no. 11, American Chemical Society, 2022, pp. 14381–90, doi:<a href=\"https://doi.org/10.1021/acsaem.2c02787\">10.1021/acsaem.2c02787</a>.","short":"S. Kovačič, B. Schafzahl, N.B. Matsko, K. Gruber, M. Schmuck, S. Koller, S.A. Freunberger, C. Slugovc, ACS Applied Energy Materials 5 (2022) 14381–14390.","ista":"Kovačič S, Schafzahl B, Matsko NB, Gruber K, Schmuck M, Koller S, Freunberger SA, Slugovc C. 2022. Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. ACS Applied Energy Materials. 5(11), 14381–14390.","ieee":"S. Kovačič <i>et al.</i>, “Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications,” <i>ACS Applied Energy Materials</i>, vol. 5, no. 11. American Chemical Society, pp. 14381–14390, 2022.","apa":"Kovačič, S., Schafzahl, B., Matsko, N. B., Gruber, K., Schmuck, M., Koller, S., … Slugovc, C. (2022). Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.2c02787\">https://doi.org/10.1021/acsaem.2c02787</a>","chicago":"Kovačič, Sebastijan, Bettina Schafzahl, Nadejda B. Matsko, Katharina Gruber, Martin Schmuck, Stefan Koller, Stefan Alexander Freunberger, and Christian Slugovc. “Carbon Foams via Ring-Opening Metathesis Polymerization of Emulsion Templates: A Facile Method to Make Carbon Current Collectors for Battery Applications.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acsaem.2c02787\">https://doi.org/10.1021/acsaem.2c02787</a>."},"publication_status":"published","publication_identifier":{"issn":["2574-0962"]},"_id":"12227","quality_controlled":"1","oa_version":"Published Version","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","acknowledgement":"S.K. acknowledges the financial support from the Slovenian Research Agency (grants P1-0021, P2-0150). Support by Graz University of Technology (LP-03 – Porous Materials@Work) and from VARTA Innovation GmbH is kindly acknowledged. We thank Umicore for providing the initiator and Matjaž Mazaj (National Institute of Chemistry, Ljubljana) and Karel Jerabek (Czech Academy of Sciences) for measurements and fruitful discussions. S.A.F. is indebted to the Austrian Federal Ministry of Science, Research and Economy; the Austrian Research Promotion Agency (Grant No. 845364); and ISTA for support.","article_processing_charge":"No","volume":5,"oa":1,"date_updated":"2023-08-04T09:27:32Z","title":"Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications","external_id":{"isi":["000875635900001"]},"doi":"10.1021/acsaem.2c02787","year":"2022","ddc":["540"],"tmp":{"image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"isi":1,"intvolume":"         5","status":"public","day":"16","type":"journal_article","publication":"ACS Applied Energy Materials","issue":"11","file_date_updated":"2023-01-27T09:09:15Z","page":"14381-14390","scopus_import":"1","publisher":"American Chemical Society","language":[{"iso":"eng"}],"month":"10","article_type":"original","date_published":"2022-10-16T00:00:00Z","date_created":"2023-01-16T09:48:53Z","file":[{"success":1,"content_type":"application/pdf","relation":"main_file","creator":"dernst","file_id":"12420","file_name":"2022_AppliedEnergyMaterials_Kovacic.pdf","file_size":13105589,"date_created":"2023-01-27T09:09:15Z","checksum":"572d15c250ab83d44f4e2c3aeb5f7388","date_updated":"2023-01-27T09:09:15Z","access_level":"open_access"}],"has_accepted_license":"1","department":[{"_id":"StFr"}]},{"status":"public","intvolume":"        34","type":"journal_article","day":"20","page":"8471-8489","file_date_updated":"2023-01-30T07:35:09Z","issue":"19","publication":"Chemistry of Materials","language":[{"iso":"eng"}],"publisher":"American Chemical Society","scopus_import":"1","date_published":"2022-09-20T00:00:00Z","article_type":"original","month":"09","file":[{"success":1,"content_type":"application/pdf","relation":"main_file","file_id":"12434","creator":"dernst","file_name":"2022_ChemistryMaterials_Fiedler.pdf","file_size":10923495,"date_created":"2023-01-30T07:35:09Z","checksum":"f7143e44ab510519d1949099c3558532","date_updated":"2023-01-30T07:35:09Z","access_level":"open_access"}],"date_created":"2023-01-16T09:51:26Z","department":[{"_id":"MaIb"}],"has_accepted_license":"1","keyword":["Materials Chemistry","General Chemical Engineering","General Chemistry"],"author":[{"id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","full_name":"Fiedler, Christine","last_name":"Fiedler","first_name":"Christine"},{"full_name":"Kleinhanns, Tobias","last_name":"Kleinhanns","first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425"},{"first_name":"Maria","last_name":"Garcia","full_name":"Garcia, Maria","id":"6e5c50b8-97dc-11ed-be98-b0a74c84cae0"},{"id":"BB243B88-D767-11E9-B658-BC13E6697425","full_name":"Lee, Seungho","last_name":"Lee","orcid":"0000-0002-6962-8598","first_name":"Seungho"},{"full_name":"Calcabrini, Mariano","last_name":"Calcabrini","first_name":"Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Ibáñez, Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"}],"abstract":[{"lang":"eng","text":"Thermoelectric technology requires synthesizing complex materials where not only the crystal structure but also other structural features such as defects, grain size and orientation, and interfaces must be controlled. To date, conventional solid-state techniques are unable to provide this level of control. Herein, we present a synthetic approach in which dense inorganic thermoelectric materials are produced by the consolidation of well-defined nanoparticle powders. The idea is that controlling the characteristics of the powder allows the chemical transformations that take place during consolidation to be guided, ultimately yielding inorganic solids with targeted features. Different from conventional methods, syntheses in solution can produce particles with unprecedented control over their size, shape, crystal structure, composition, and surface chemistry. However, to date, most works have focused only on the low-cost benefits of this strategy. In this perspective, we first cover the opportunities that solution processing of the powder offers, emphasizing the potential structural features that can be controlled by precisely engineering the inorganic core of the particle, the surface, and the organization of the particles before consolidation. We then discuss the challenges of this synthetic approach and more practical matters related to solution processing. Finally, we suggest some good practices for adequate knowledge transfer and improving reproducibility among different laboratories."}],"publication_status":"published","citation":{"chicago":"Fiedler, Christine, Tobias Kleinhanns, Maria Garcia, Seungho Lee, Mariano Calcabrini, and Maria Ibáñez. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” <i>Chemistry of Materials</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">https://doi.org/10.1021/acs.chemmater.2c01967</a>.","ieee":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, and M. Ibáñez, “Solution-processed inorganic thermoelectric materials: Opportunities and challenges,” <i>Chemistry of Materials</i>, vol. 34, no. 19. American Chemical Society, pp. 8471–8489, 2022.","apa":"Fiedler, C., Kleinhanns, T., Garcia, M., Lee, S., Calcabrini, M., &#38; Ibáñez, M. (2022). Solution-processed inorganic thermoelectric materials: Opportunities and challenges. <i>Chemistry of Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">https://doi.org/10.1021/acs.chemmater.2c01967</a>","short":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, M. Ibáñez, Chemistry of Materials 34 (2022) 8471–8489.","ista":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. 2022. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. Chemistry of Materials. 34(19), 8471–8489.","ama":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. <i>Chemistry of Materials</i>. 2022;34(19):8471-8489. doi:<a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">10.1021/acs.chemmater.2c01967</a>","mla":"Fiedler, Christine, et al. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” <i>Chemistry of Materials</i>, vol. 34, no. 19, American Chemical Society, 2022, pp. 8471–89, doi:<a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">10.1021/acs.chemmater.2c01967</a>."},"acknowledgement":"This work was financially supported by ISTA and the Werner Siemens Foundation. M.C. has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement no. 665385.","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","quality_controlled":"1","project":[{"call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","name":"International IST Doctoral Program","grant_number":"665385"}],"oa_version":"Published Version","pmid":1,"_id":"12237","publication_identifier":{"eissn":["1520-5002"],"issn":["0897-4756"]},"date_updated":"2023-08-04T09:38:26Z","volume":34,"oa":1,"article_processing_charge":"Yes (via OA deal)","external_id":{"isi":["000917837600001"],"pmid":["36248227"]},"title":"Solution-processed inorganic thermoelectric materials: Opportunities and challenges","ec_funded":1,"year":"2022","doi":"10.1021/acs.chemmater.2c01967","ddc":["540"],"related_material":{"record":[{"id":"12885","relation":"dissertation_contains","status":"public"}]},"isi":1,"tmp":{"image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"}},{"date_published":"2021-01-14T00:00:00Z","article_type":"original","month":"01","language":[{"iso":"eng"}],"scopus_import":"1","publisher":"Elsevier","date_created":"2023-08-01T09:35:19Z","type":"journal_article","day":"14","status":"public","intvolume":"         7","page":"23-37","publication":"Chem","issue":"1","year":"2021","doi":"10.1016/j.chempr.2020.11.025","title":"Dissipative self-assembly: Fueling with chemicals versus light","main_file_link":[{"url":"https://doi.org/10.1016/j.chempr.2020.11.025","open_access":"1"}],"citation":{"chicago":"Weißenfels, Maren, Julius Gemen, and Rafal Klajn. “Dissipative Self-Assembly: Fueling with Chemicals versus Light.” <i>Chem</i>. Elsevier, 2021. <a href=\"https://doi.org/10.1016/j.chempr.2020.11.025\">https://doi.org/10.1016/j.chempr.2020.11.025</a>.","apa":"Weißenfels, M., Gemen, J., &#38; Klajn, R. (2021). Dissipative self-assembly: Fueling with chemicals versus light. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2020.11.025\">https://doi.org/10.1016/j.chempr.2020.11.025</a>","ieee":"M. Weißenfels, J. Gemen, and R. Klajn, “Dissipative self-assembly: Fueling with chemicals versus light,” <i>Chem</i>, vol. 7, no. 1. Elsevier, pp. 23–37, 2021.","ista":"Weißenfels M, Gemen J, Klajn R. 2021. Dissipative self-assembly: Fueling with chemicals versus light. Chem. 7(1), 23–37.","short":"M. Weißenfels, J. Gemen, R. Klajn, Chem 7 (2021) 23–37.","ama":"Weißenfels M, Gemen J, Klajn R. Dissipative self-assembly: Fueling with chemicals versus light. <i>Chem</i>. 2021;7(1):23-37. doi:<a href=\"https://doi.org/10.1016/j.chempr.2020.11.025\">10.1016/j.chempr.2020.11.025</a>","mla":"Weißenfels, Maren, et al. “Dissipative Self-Assembly: Fueling with Chemicals versus Light.” <i>Chem</i>, vol. 7, no. 1, Elsevier, 2021, pp. 23–37, doi:<a href=\"https://doi.org/10.1016/j.chempr.2020.11.025\">10.1016/j.chempr.2020.11.025</a>."},"publication_status":"published","keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"author":[{"first_name":"Maren","last_name":"Weißenfels","full_name":"Weißenfels, Maren"},{"first_name":"Julius","last_name":"Gemen","full_name":"Gemen, Julius"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","full_name":"Klajn, Rafal","first_name":"Rafal"}],"abstract":[{"text":"Dissipative self-assembly is ubiquitous in nature, where it gives rise to complex structures and functions such as self-healing, homeostasis, and camouflage. These phenomena are enabled by the continuous conversion of energy stored in chemical fuels, such as ATP. Over the past decade, an increasing number of synthetic chemically driven systems have been reported that mimic the features of their natural counterparts. At the same time, it has been shown that dissipative self-assembly can also be fueled by light; these optically fueled systems have been developed in parallel to the chemically fueled ones. In this perspective, we critically compare these two classes of systems. Despite the complementarity and fundamental differences between these two modes of dissipative self-assembly, our analysis reveals that multiple analogies exist between chemically and light-fueled systems. We hope that these considerations will facilitate further development of the field of dissipative self-assembly.","lang":"eng"}],"article_processing_charge":"No","oa":1,"volume":7,"date_updated":"2023-08-07T10:04:28Z","quality_controlled":"1","oa_version":"Published Version","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"issn":["2451-9294"]},"extern":"1","_id":"13359"},{"date_created":"2021-06-03T09:58:38Z","department":[{"_id":"StFr"}],"language":[{"iso":"eng"}],"publisher":"IOP Publishing","date_published":"2021-05-01T00:00:00Z","month":"05","publication":"Journal of The Electrochemical Society","issue":"5","status":"public","intvolume":"       168","type":"journal_article","day":"01","isi":1,"article_number":"050550","external_id":{"isi":["000657724200001"]},"title":"Investigation of electrochemical and chemical processes occurring at positive potentials in “Water-in-Salt” electrolytes","year":"2021","doi":"10.1149/1945-7111/ac0300","oa_version":"None","quality_controlled":"1","user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","publication_identifier":{"issn":["0013-4651"],"eissn":["1945-7111"]},"_id":"9447","article_processing_charge":"No","date_updated":"2023-09-05T13:25:30Z","volume":168,"author":[{"full_name":"Maffre, Marion","last_name":"Maffre","first_name":"Marion"},{"last_name":"Bouchal","full_name":"Bouchal, Roza","first_name":"Roza"},{"id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","first_name":"Stefan Alexander"},{"first_name":"Niklas","full_name":"Lindahl, Niklas","last_name":"Lindahl"},{"last_name":"Johansson","full_name":"Johansson, Patrik","first_name":"Patrik"},{"full_name":"Favier, Frédéric","last_name":"Favier","first_name":"Frédéric"},{"last_name":"Fontaine","full_name":"Fontaine, Olivier","first_name":"Olivier"},{"first_name":"Daniel","last_name":"Bélanger","full_name":"Bélanger, Daniel"}],"keyword":["Renewable Energy","Sustainability and the Environment","Electrochemistry","Materials Chemistry","Electronic","Optical and Magnetic Materials","Surfaces","Coatings and Films","Condensed Matter Physics"],"abstract":[{"text":"Lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) based water-in-salt electrolytes (WiSEs) has recently emerged as a new promising class of electrolytes, primarily owing to their wide electrochemical stability windows (~3–4 V), that by far exceed the thermodynamic stability window of water (1.23 V). Upon increasing the salt concentration towards superconcentration the onset of the oxygen evolution reaction (OER) shifts more significantly than the hydrogen evolution reaction (HER) does. The OER shift has been explained by the accumulation of hydrophobic anions blocking water access to the electrode surface, hence by double layer theory. Here we demonstrate that the processes during oxidation are much more complex, involving OER, carbon and salt decomposition by OER intermediates, and salt precipitation upon local oversaturation. The positive shift in the onset potential of oxidation currents was elucidated by combining several advanced analysis techniques: rotating ring-disk electrode voltammetry, online electrochemical mass spectrometry, and X-ray photoelectron spectroscopy, using both dilute and superconcentrated electrolytes. The results demonstrate the importance of reactive OER intermediates and surface films for electrolyte and electrode stability and motivate further studies of the nature of the electrode.","lang":"eng"}],"citation":{"ama":"Maffre M, Bouchal R, Freunberger SA, et al. Investigation of electrochemical and chemical processes occurring at positive potentials in “Water-in-Salt” electrolytes. <i>Journal of The Electrochemical Society</i>. 2021;168(5). doi:<a href=\"https://doi.org/10.1149/1945-7111/ac0300\">10.1149/1945-7111/ac0300</a>","mla":"Maffre, Marion, et al. “Investigation of Electrochemical and Chemical Processes Occurring at Positive Potentials in ‘Water-in-Salt’ Electrolytes.” <i>Journal of The Electrochemical Society</i>, vol. 168, no. 5, 050550, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1149/1945-7111/ac0300\">10.1149/1945-7111/ac0300</a>.","short":"M. Maffre, R. Bouchal, S.A. Freunberger, N. Lindahl, P. Johansson, F. Favier, O. Fontaine, D. Bélanger, Journal of The Electrochemical Society 168 (2021).","ista":"Maffre M, Bouchal R, Freunberger SA, Lindahl N, Johansson P, Favier F, Fontaine O, Bélanger D. 2021. Investigation of electrochemical and chemical processes occurring at positive potentials in “Water-in-Salt” electrolytes. Journal of The Electrochemical Society. 168(5), 050550.","ieee":"M. Maffre <i>et al.</i>, “Investigation of electrochemical and chemical processes occurring at positive potentials in ‘Water-in-Salt’ electrolytes,” <i>Journal of The Electrochemical Society</i>, vol. 168, no. 5. IOP Publishing, 2021.","apa":"Maffre, M., Bouchal, R., Freunberger, S. A., Lindahl, N., Johansson, P., Favier, F., … Bélanger, D. (2021). Investigation of electrochemical and chemical processes occurring at positive potentials in “Water-in-Salt” electrolytes. <i>Journal of The Electrochemical Society</i>. IOP Publishing. <a href=\"https://doi.org/10.1149/1945-7111/ac0300\">https://doi.org/10.1149/1945-7111/ac0300</a>","chicago":"Maffre, Marion, Roza Bouchal, Stefan Alexander Freunberger, Niklas Lindahl, Patrik Johansson, Frédéric Favier, Olivier Fontaine, and Daniel Bélanger. “Investigation of Electrochemical and Chemical Processes Occurring at Positive Potentials in ‘Water-in-Salt’ Electrolytes.” <i>Journal of The Electrochemical Society</i>. IOP Publishing, 2021. <a href=\"https://doi.org/10.1149/1945-7111/ac0300\">https://doi.org/10.1149/1945-7111/ac0300</a>."},"publication_status":"published"},{"main_file_link":[{"url":"https://doi.org/10.1016/j.chempr.2019.08.012","open_access":"1"}],"title":"Diamond grows up","year":"2019","doi":"10.1016/j.chempr.2019.08.012","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","quality_controlled":"1","oa_version":"Published Version","_id":"13371","extern":"1","publication_identifier":{"eissn":["2451-9294"],"issn":["2451-9308"]},"volume":5,"date_updated":"2023-08-07T10:46:50Z","oa":1,"article_processing_charge":"No","keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"author":[{"last_name":"Białek","full_name":"Białek, Michał J.","first_name":"Michał J."},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","full_name":"Klajn, Rafal","last_name":"Klajn"}],"abstract":[{"lang":"eng","text":"Diamondoid nanoporous crystals represent a synthetically challenging class of materials that typically have been obtained from tetrahedral building blocks. In this issue of Chem, Stoddart and coworkers demonstrate that it is possible to generate diamondoid frameworks from a hexacationic building block lacking a tetrahedral symmetry. These results highlight the great potential of self-assembly for rapidly transforming small molecules into structurally complex functional materials."}],"publication_status":"published","citation":{"ama":"Białek MJ, Klajn R. Diamond grows up. <i>Chem</i>. 2019;5(9):2283-2285. doi:<a href=\"https://doi.org/10.1016/j.chempr.2019.08.012\">10.1016/j.chempr.2019.08.012</a>","mla":"Białek, Michał J., and Rafal Klajn. “Diamond Grows Up.” <i>Chem</i>, vol. 5, no. 9, Elsevier, 2019, pp. 2283–85, doi:<a href=\"https://doi.org/10.1016/j.chempr.2019.08.012\">10.1016/j.chempr.2019.08.012</a>.","short":"M.J. Białek, R. Klajn, Chem 5 (2019) 2283–2285.","ista":"Białek MJ, Klajn R. 2019. Diamond grows up. Chem. 5(9), 2283–2285.","apa":"Białek, M. J., &#38; Klajn, R. (2019). Diamond grows up. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2019.08.012\">https://doi.org/10.1016/j.chempr.2019.08.012</a>","ieee":"M. J. Białek and R. Klajn, “Diamond grows up,” <i>Chem</i>, vol. 5, no. 9. Elsevier, pp. 2283–2285, 2019.","chicago":"Białek, Michał J., and Rafal Klajn. “Diamond Grows Up.” <i>Chem</i>. Elsevier, 2019. <a href=\"https://doi.org/10.1016/j.chempr.2019.08.012\">https://doi.org/10.1016/j.chempr.2019.08.012</a>."},"date_created":"2023-08-01T09:38:38Z","language":[{"iso":"eng"}],"publisher":"Elsevier","scopus_import":"1","article_type":"original","date_published":"2019-09-12T00:00:00Z","month":"09","page":"2283-2285","issue":"9","publication":"Chem","status":"public","intvolume":"         5","type":"journal_article","day":"12"},{"publication":"Macromolecular Rapid Communications","issue":"1","intvolume":"        39","status":"public","day":"08","type":"journal_article","date_created":"2023-08-01T09:40:48Z","scopus_import":"1","publisher":"Wiley","language":[{"iso":"eng"}],"month":"01","date_published":"2018-01-08T00:00:00Z","article_type":"letter_note","extern":"1","publication_identifier":{"eissn":["1521-3927"],"issn":["1022-1336"]},"pmid":1,"_id":"13379","quality_controlled":"1","oa_version":"Published Version","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","article_processing_charge":"No","oa":1,"volume":39,"date_updated":"2023-08-07T11:16:49Z","author":[{"first_name":"David","full_name":"Bléger, David","last_name":"Bléger"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","full_name":"Klajn, Rafal","first_name":"Rafal"}],"keyword":["Materials Chemistry","Polymers and Plastics","Organic Chemistry"],"citation":{"chicago":"Bléger, David, and Rafal Klajn. “Integrating Macromolecules with Molecular Switches.” <i>Macromolecular Rapid Communications</i>. Wiley, 2018. <a href=\"https://doi.org/10.1002/marc.201700827\">https://doi.org/10.1002/marc.201700827</a>.","ieee":"D. Bléger and R. Klajn, “Integrating macromolecules with molecular switches,” <i>Macromolecular Rapid Communications</i>, vol. 39, no. 1. Wiley, 2018.","apa":"Bléger, D., &#38; Klajn, R. (2018). Integrating macromolecules with molecular switches. <i>Macromolecular Rapid Communications</i>. Wiley. <a href=\"https://doi.org/10.1002/marc.201700827\">https://doi.org/10.1002/marc.201700827</a>","ista":"Bléger D, Klajn R. 2018. Integrating macromolecules with molecular switches. Macromolecular Rapid Communications. 39(1), 1700827.","short":"D. Bléger, R. Klajn, Macromolecular Rapid Communications 39 (2018).","mla":"Bléger, David, and Rafal Klajn. “Integrating Macromolecules with Molecular Switches.” <i>Macromolecular Rapid Communications</i>, vol. 39, no. 1, 1700827, Wiley, 2018, doi:<a href=\"https://doi.org/10.1002/marc.201700827\">10.1002/marc.201700827</a>.","ama":"Bléger D, Klajn R. Integrating macromolecules with molecular switches. <i>Macromolecular Rapid Communications</i>. 2018;39(1). doi:<a href=\"https://doi.org/10.1002/marc.201700827\">10.1002/marc.201700827</a>"},"publication_status":"published","article_number":"1700827","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1002/marc.201700827"}],"title":"Integrating macromolecules with molecular switches","external_id":{"pmid":["29314396"]},"year":"2018","doi":"10.1002/marc.201700827"},{"publication_status":"published","citation":{"ieee":"A. J. Dear, A. Šarić, T. C. T. Michaels, C. M. Dobson, and T. P. J. Knowles, “Statistical mechanics of globular oligomer formation by protein molecules,” <i>The Journal of Physical Chemistry B</i>, vol. 122, no. 49. American Chemical Society, pp. 11721–11730, 2018.","apa":"Dear, A. J., Šarić, A., Michaels, T. C. T., Dobson, C. M., &#38; Knowles, T. P. J. (2018). Statistical mechanics of globular oligomer formation by protein molecules. <i>The Journal of Physical Chemistry B</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.jpcb.8b07805\">https://doi.org/10.1021/acs.jpcb.8b07805</a>","chicago":"Dear, Alexander J., Anđela Šarić, Thomas C. T. Michaels, Christopher M. Dobson, and Tuomas P. J. Knowles. “Statistical Mechanics of Globular Oligomer Formation by Protein Molecules.” <i>The Journal of Physical Chemistry B</i>. American Chemical Society, 2018. <a href=\"https://doi.org/10.1021/acs.jpcb.8b07805\">https://doi.org/10.1021/acs.jpcb.8b07805</a>.","ama":"Dear AJ, Šarić A, Michaels TCT, Dobson CM, Knowles TPJ. Statistical mechanics of globular oligomer formation by protein molecules. <i>The Journal of Physical Chemistry B</i>. 2018;122(49):11721-11730. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.8b07805\">10.1021/acs.jpcb.8b07805</a>","mla":"Dear, Alexander J., et al. “Statistical Mechanics of Globular Oligomer Formation by Protein Molecules.” <i>The Journal of Physical Chemistry B</i>, vol. 122, no. 49, American Chemical Society, 2018, pp. 11721–30, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.8b07805\">10.1021/acs.jpcb.8b07805</a>.","short":"A.J. Dear, A. Šarić, T.C.T. Michaels, C.M. Dobson, T.P.J. Knowles, The Journal of Physical Chemistry B 122 (2018) 11721–11730.","ista":"Dear AJ, Šarić A, Michaels TCT, Dobson CM, Knowles TPJ. 2018. Statistical mechanics of globular oligomer formation by protein molecules. The Journal of Physical Chemistry B. 122(49), 11721–11730."},"abstract":[{"text":"The misfolding and aggregation of proteins into linear fibrils is widespread in human biology, for example, in connection with amyloid formation and the pathology of neurodegenerative disorders such as Alzheimer’s and Parkinson’s diseases. The oligomeric species that are formed in the early stages of protein aggregation are of great interest, having been linked with the cellular toxicity associated with these conditions. However, these species are not characterized in any detail experimentally, and their properties are not well understood. Many of these species have been found to have approximately spherical morphology and to be held together by hydrophobic interactions. We present here an analytical statistical mechanical model of globular oligomer formation from simple idealized amphiphilic protein monomers and show that this correlates well with Monte Carlo simulations of oligomer formation. We identify the controlling parameters of the model, which are closely related to simple quantities that may be fitted directly from experiment. We predict that globular oligomers are unlikely to form at equilibrium in many polypeptide systems but instead form transiently in the early stages of amyloid formation. We contrast the globular model of oligomer formation to a well-established model of linear oligomer formation, highlighting how the differing ensemble properties of linear and globular oligomers offer a potential strategy for characterizing oligomers from experimental measurements.","lang":"eng"}],"keyword":["materials chemistry"],"author":[{"first_name":"Alexander J.","last_name":"Dear","full_name":"Dear, Alexander J."},{"id":"bf63d406-f056-11eb-b41d-f263a6566d8b","last_name":"Šarić","full_name":"Šarić, Anđela","orcid":"0000-0002-7854-2139","first_name":"Anđela"},{"first_name":"Thomas C. T.","last_name":"Michaels","full_name":"Michaels, Thomas C. T."},{"first_name":"Christopher M.","last_name":"Dobson","full_name":"Dobson, Christopher M."},{"full_name":"Knowles, Tuomas P. J.","last_name":"Knowles","first_name":"Tuomas P. J."}],"date_updated":"2021-11-26T12:40:02Z","volume":122,"article_processing_charge":"No","_id":"10357","pmid":1,"publication_identifier":{"issn":["1520-6106"],"eissn":["1520-5207"]},"extern":"1","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","acknowledgement":"We acknowledge support from the Schiff Foundation (A.J.D.), the Royal Society (A.Š.), the Academy of Medical Sciences and Wellcome Trust (A.Š.), Peterhouse, Cambridge (T.C.T.M.), the Swiss National Science foundation (T.C.T.M.), the Wellcome Trust (T.P.J.K.), the Cambridge Centre for Misfolding Diseases (T.P.J.K.), the BBSRC (T.P.J.K.), the Frances and Augustus Newman foundation (T.P.J.K.). The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (Grant FP7/2007-2013) through the ERC Grant PhysProt (Agreement No. 337969). We thank Daan Frenkel for several useful discussions.","oa_version":"None","quality_controlled":"1","doi":"10.1021/acs.jpcb.8b07805","year":"2018","external_id":{"pmid":["30336667"]},"title":"Statistical mechanics of globular oligomer formation by protein molecules","day":"18","type":"journal_article","intvolume":"       122","status":"public","issue":"49","publication":"The Journal of Physical Chemistry B","page":"11721-11730","month":"10","date_published":"2018-10-18T00:00:00Z","article_type":"original","publisher":"American Chemical Society","scopus_import":"1","language":[{"iso":"eng"}],"date_created":"2021-11-26T11:55:12Z"},{"publication_status":"published","day":"08","citation":{"ista":"Kurauskas V, Weber E, Hessel A, Ayala I, Marion D, Schanda P. 2016. Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics measurements. The Journal of Physical Chemistry B. 120(34), 8905–8913.","short":"V. Kurauskas, E. Weber, A. Hessel, I. Ayala, D. Marion, P. Schanda, The Journal of Physical Chemistry B 120 (2016) 8905–8913.","ama":"Kurauskas V, Weber E, Hessel A, Ayala I, Marion D, Schanda P. Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics measurements. <i>The Journal of Physical Chemistry B</i>. 2016;120(34):8905-8913. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.6b06129\">10.1021/acs.jpcb.6b06129</a>","mla":"Kurauskas, Vilius, et al. “Cross-Correlated Relaxation of Dipolar Coupling and Chemical-Shift Anisotropy in Magic-Angle Spinning R1ρ NMR Measurements: Application to Protein Backbone Dynamics Measurements.” <i>The Journal of Physical Chemistry B</i>, vol. 120, no. 34, American Chemical Society, 2016, pp. 8905–13, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.6b06129\">10.1021/acs.jpcb.6b06129</a>.","chicago":"Kurauskas, Vilius, Emmanuelle Weber, Audrey Hessel, Isabel Ayala, Dominique Marion, and Paul Schanda. “Cross-Correlated Relaxation of Dipolar Coupling and Chemical-Shift Anisotropy in Magic-Angle Spinning R1ρ NMR Measurements: Application to Protein Backbone Dynamics Measurements.” <i>The Journal of Physical Chemistry B</i>. American Chemical Society, 2016. <a href=\"https://doi.org/10.1021/acs.jpcb.6b06129\">https://doi.org/10.1021/acs.jpcb.6b06129</a>.","apa":"Kurauskas, V., Weber, E., Hessel, A., Ayala, I., Marion, D., &#38; Schanda, P. (2016). Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics measurements. <i>The Journal of Physical Chemistry B</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.jpcb.6b06129\">https://doi.org/10.1021/acs.jpcb.6b06129</a>","ieee":"V. Kurauskas, E. Weber, A. Hessel, I. Ayala, D. Marion, and P. Schanda, “Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics measurements,” <i>The Journal of Physical Chemistry B</i>, vol. 120, no. 34. American Chemical Society, pp. 8905–8913, 2016."},"type":"journal_article","intvolume":"       120","abstract":[{"lang":"eng","text":"Transverse relaxation rate measurements in magic-angle spinning solid-state nuclear magnetic resonance provide information about molecular motions occurring on nanosecond-to-millisecond (ns–ms) time scales. The measurement of heteronuclear (13C, 15N) relaxation rate constants in the presence of a spin-lock radiofrequency field (R1ρ relaxation) provides access to such motions, and an increasing number of studies involving R1ρ relaxation in proteins have been reported. However, two factors that influence the observed relaxation rate constants have so far been neglected, namely, (1) the role of CSA/dipolar cross-correlated relaxation (CCR) and (2) the impact of fast proton spin flips (i.e., proton spin diffusion and relaxation). We show that CSA/D CCR in R1ρ experiments is measurable and that the CCR rate constant depends on ns–ms motions; it can thus provide insight into dynamics. We find that proton spin diffusion attenuates this CCR due to its decoupling effect on the doublet components. For measurements of dynamics, the use of R1ρ rate constants has practical advantages over the use of CCR rates, and this article reveals factors that have so far been disregarded and which are important for accurate measurements and interpretation."}],"author":[{"first_name":"Vilius","full_name":"Kurauskas, Vilius","last_name":"Kurauskas"},{"last_name":"Weber","full_name":"Weber, Emmanuelle","first_name":"Emmanuelle"},{"first_name":"Audrey","full_name":"Hessel, Audrey","last_name":"Hessel"},{"full_name":"Ayala, Isabel","last_name":"Ayala","first_name":"Isabel"},{"first_name":"Dominique","full_name":"Marion, Dominique","last_name":"Marion"},{"id":"7B541462-FAF6-11E9-A490-E8DFE5697425","full_name":"Schanda, Paul","last_name":"Schanda","orcid":"0000-0002-9350-7606","first_name":"Paul"}],"status":"public","keyword":["Physical and Theoretical Chemistry","Materials Chemistry","Surfaces","Coatings and Films"],"issue":"34","publication":"The Journal of Physical Chemistry B","volume":120,"date_updated":"2021-01-12T08:19:22Z","page":"8905-8913","article_processing_charge":"No","_id":"8453","publication_identifier":{"issn":["1520-6106","1520-5207"]},"extern":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"None","quality_controlled":"1","month":"08","year":"2016","doi":"10.1021/acs.jpcb.6b06129","article_type":"original","date_published":"2016-08-08T00:00:00Z","publisher":"American Chemical Society","title":"Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics measurements","language":[{"iso":"eng"}],"date_created":"2020-09-18T10:07:07Z"},{"type":"journal_article","publication_status":"published","citation":{"ama":"Kurauskas V, Crublet E, Macek P, et al. Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit. <i>Chemical Communications</i>. 2016;52(61):9558-9561. doi:<a href=\"https://doi.org/10.1039/c6cc04484k\">10.1039/c6cc04484k</a>","mla":"Kurauskas, Vilius, et al. “Sensitive Proton-Detected Solid-State NMR Spectroscopy of Large Proteins with Selective CH3labelling: Application to the 50S Ribosome Subunit.” <i>Chemical Communications</i>, vol. 52, no. 61, Royal Society of Chemistry, 2016, pp. 9558–61, doi:<a href=\"https://doi.org/10.1039/c6cc04484k\">10.1039/c6cc04484k</a>.","ista":"Kurauskas V, Crublet E, Macek P, Kerfah R, Gauto DF, Boisbouvier J, Schanda P. 2016. Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit. Chemical Communications. 52(61), 9558–9561.","short":"V. Kurauskas, E. Crublet, P. Macek, R. Kerfah, D.F. Gauto, J. Boisbouvier, P. Schanda, Chemical Communications 52 (2016) 9558–9561.","apa":"Kurauskas, V., Crublet, E., Macek, P., Kerfah, R., Gauto, D. F., Boisbouvier, J., &#38; Schanda, P. (2016). Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit. <i>Chemical Communications</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c6cc04484k\">https://doi.org/10.1039/c6cc04484k</a>","ieee":"V. Kurauskas <i>et al.</i>, “Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit,” <i>Chemical Communications</i>, vol. 52, no. 61. Royal Society of Chemistry, pp. 9558–9561, 2016.","chicago":"Kurauskas, Vilius, Elodie Crublet, Pavel Macek, Rime Kerfah, Diego F. Gauto, Jérôme Boisbouvier, and Paul Schanda. “Sensitive Proton-Detected Solid-State NMR Spectroscopy of Large Proteins with Selective CH3labelling: Application to the 50S Ribosome Subunit.” <i>Chemical Communications</i>. Royal Society of Chemistry, 2016. <a href=\"https://doi.org/10.1039/c6cc04484k\">https://doi.org/10.1039/c6cc04484k</a>."},"day":"04","author":[{"first_name":"Vilius","full_name":"Kurauskas, Vilius","last_name":"Kurauskas"},{"first_name":"Elodie","full_name":"Crublet, Elodie","last_name":"Crublet"},{"first_name":"Pavel","full_name":"Macek, Pavel","last_name":"Macek"},{"first_name":"Rime","full_name":"Kerfah, Rime","last_name":"Kerfah"},{"first_name":"Diego F.","full_name":"Gauto, Diego F.","last_name":"Gauto"},{"first_name":"Jérôme","last_name":"Boisbouvier","full_name":"Boisbouvier, Jérôme"},{"first_name":"Paul","full_name":"Schanda, Paul","last_name":"Schanda","orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425"}],"keyword":["Materials Chemistry","Electronic","Optical and Magnetic Materials","General Chemistry","Surfaces","Coatings and Films","Metals and Alloys","Ceramics and Composites","Catalysis"],"status":"public","abstract":[{"text":"Solid-state NMR spectroscopy allows the characterization of the structure, interactions and dynamics of insoluble and/or very large proteins. Sensitivity and resolution are often major challenges for obtaining atomic-resolution information, in particular for very large protein complexes. Here we show that the use of deuterated, specifically CH3-labelled proteins result in significant sensitivity gains compared to previously employed CHD2 labelling, while line widths increase only marginally. We apply this labelling strategy to a 468 kDa-large dodecameric aminopeptidase, TET2, and the 1.6 MDa-large 50S ribosome subunit of Thermus thermophilus.","lang":"eng"}],"intvolume":"        52","date_updated":"2021-01-12T08:19:23Z","volume":52,"page":"9558-9561","article_processing_charge":"No","issue":"61","publication":"Chemical Communications","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","quality_controlled":"1","oa_version":"None","_id":"8455","extern":"1","publication_identifier":{"issn":["1359-7345","1364-548X"]},"article_type":"original","date_published":"2016-07-04T00:00:00Z","month":"07","doi":"10.1039/c6cc04484k","year":"2016","language":[{"iso":"eng"}],"publisher":"Royal Society of Chemistry","title":"Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit","date_created":"2020-09-18T10:07:29Z"},{"date_created":"2023-08-01T09:44:48Z","language":[{"iso":"eng"}],"publisher":"Royal Society of Chemistry","scopus_import":"1","article_type":"original","date_published":"2015-11-18T00:00:00Z","month":"11","page":"2036-2039","issue":"11","publication":"Chemical Communications","status":"public","intvolume":"        51","type":"journal_article","day":"18","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1039/C4CC08541H"}],"title":"Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2","external_id":{"pmid":["25417754"]},"doi":"10.1039/c4cc08541h","year":"2015","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","quality_controlled":"1","_id":"13395","pmid":1,"publication_identifier":{"eissn":["1364-548X"],"issn":["1359-7345"]},"extern":"1","date_updated":"2023-08-07T13:01:53Z","volume":51,"oa":1,"article_processing_charge":"No","keyword":["Materials Chemistry","Metals and Alloys","Surfaces","Coatings and Films","General Chemistry","Ceramics and Composites","Electronic","Optical and Magnetic Materials","Catalysis"],"author":[{"first_name":"Ji-Woong","full_name":"Lee, Ji-Woong","last_name":"Lee"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","last_name":"Klajn","full_name":"Klajn, Rafal"}],"abstract":[{"lang":"eng","text":"Metallic nanoparticles co-functionalised with monolayers of UV- and CO2-sensitive ligands were prepared and shown to respond to these two types of stimuli reversibly and in an orthogonal fashion. The composition of the coating could be tailored to yield nanoparticles capable of aggregating exclusively when both UV and CO2 were applied at the same time, analogously to the behaviour of an AND logic gate."}],"publication_status":"published","citation":{"ista":"Lee J-W, Klajn R. 2015. Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2. Chemical Communications. 51(11), 2036–2039.","short":"J.-W. Lee, R. Klajn, Chemical Communications 51 (2015) 2036–2039.","mla":"Lee, Ji-Woong, and Rafal Klajn. “Dual-Responsive Nanoparticles That Aggregate under the Simultaneous Action of Light and CO2.” <i>Chemical Communications</i>, vol. 51, no. 11, Royal Society of Chemistry, 2015, pp. 2036–39, doi:<a href=\"https://doi.org/10.1039/c4cc08541h\">10.1039/c4cc08541h</a>.","ama":"Lee J-W, Klajn R. Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2. <i>Chemical Communications</i>. 2015;51(11):2036-2039. doi:<a href=\"https://doi.org/10.1039/c4cc08541h\">10.1039/c4cc08541h</a>","chicago":"Lee, Ji-Woong, and Rafal Klajn. “Dual-Responsive Nanoparticles That Aggregate under the Simultaneous Action of Light and CO2.” <i>Chemical Communications</i>. Royal Society of Chemistry, 2015. <a href=\"https://doi.org/10.1039/c4cc08541h\">https://doi.org/10.1039/c4cc08541h</a>.","apa":"Lee, J.-W., &#38; Klajn, R. (2015). Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2. <i>Chemical Communications</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c4cc08541h\">https://doi.org/10.1039/c4cc08541h</a>","ieee":"J.-W. Lee and R. Klajn, “Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2,” <i>Chemical Communications</i>, vol. 51, no. 11. Royal Society of Chemistry, pp. 2036–2039, 2015."}},{"day":"15","type":"journal_article","intvolume":"       115","status":"public","publication":"The Journal of Physical Chemistry B","issue":"22","page":"7182-7189","month":"10","date_published":"2010-10-15T00:00:00Z","article_type":"original","scopus_import":"1","publisher":"American Chemical Society","language":[{"iso":"eng"}],"date_created":"2021-11-29T15:13:17Z","citation":{"ieee":"A. Šarić, B. Bozorgui, and A. Cacciuto, “Packing of soft asymmetric dumbbells,” <i>The Journal of Physical Chemistry B</i>, vol. 115, no. 22. American Chemical Society, pp. 7182–7189, 2010.","apa":"Šarić, A., Bozorgui, B., &#38; Cacciuto, A. (2010). Packing of soft asymmetric dumbbells. <i>The Journal of Physical Chemistry B</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jp107545w\">https://doi.org/10.1021/jp107545w</a>","chicago":"Šarić, Anđela, Behnaz Bozorgui, and Angelo Cacciuto. “Packing of Soft Asymmetric Dumbbells.” <i>The Journal of Physical Chemistry B</i>. American Chemical Society, 2010. <a href=\"https://doi.org/10.1021/jp107545w\">https://doi.org/10.1021/jp107545w</a>.","mla":"Šarić, Anđela, et al. “Packing of Soft Asymmetric Dumbbells.” <i>The Journal of Physical Chemistry B</i>, vol. 115, no. 22, American Chemical Society, 2010, pp. 7182–89, doi:<a href=\"https://doi.org/10.1021/jp107545w\">10.1021/jp107545w</a>.","ama":"Šarić A, Bozorgui B, Cacciuto A. Packing of soft asymmetric dumbbells. <i>The Journal of Physical Chemistry B</i>. 2010;115(22):7182-7189. doi:<a href=\"https://doi.org/10.1021/jp107545w\">10.1021/jp107545w</a>","ista":"Šarić A, Bozorgui B, Cacciuto A. 2010. Packing of soft asymmetric dumbbells. The Journal of Physical Chemistry B. 115(22), 7182–7189.","short":"A. Šarić, B. Bozorgui, A. Cacciuto, The Journal of Physical Chemistry B 115 (2010) 7182–7189."},"publication_status":"published","abstract":[{"lang":"eng","text":"We use numerical simulations to study the phase behavior of a system of purely repulsive soft dumbbells as a function of size ratio of the two components and their relative degree of deformability. We find a plethora of different phases, which includes most of the mesophases observed in self-assembly of block copolymers but also crystalline structures formed by asymmetric, hard binary mixtures. Our results detail the phenomenological behavior of these systems when softness is introduced in terms of two different classes of interparticle interactions: (a) the elastic Hertz potential, which has a finite energy cost for complete overlap of any two components, and (b) a generic power-law repulsion with tunable exponent. We discuss how simple geometric arguments can be used to account for the large structural variety observed in these systems and detail the similarities and differences in the phase behavior for the two classes of potentials under consideration."}],"author":[{"full_name":"Šarić, Anđela","last_name":"Šarić","orcid":"0000-0002-7854-2139","first_name":"Anđela","id":"bf63d406-f056-11eb-b41d-f263a6566d8b"},{"first_name":"Behnaz","last_name":"Bozorgui","full_name":"Bozorgui, Behnaz"},{"last_name":"Cacciuto","full_name":"Cacciuto, Angelo","first_name":"Angelo"}],"keyword":["materials chemistry"],"arxiv":1,"article_processing_charge":"No","oa":1,"volume":115,"date_updated":"2021-11-29T16:20:29Z","extern":"1","publication_identifier":{"issn":["1520-6106"],"eissn":["1520-5207"]},"pmid":1,"_id":"10390","quality_controlled":"1","oa_version":"Preprint","acknowledgement":"This work was supported by the National Science Foundation under CAREER Grant No. DMR-0846426 and partly by Columbia University.","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","year":"2010","doi":"10.1021/jp107545w","title":"Packing of soft asymmetric dumbbells","external_id":{"pmid":["20949934"],"arxiv":["1010.2458"]},"main_file_link":[{"url":"https://arxiv.org/abs/1010.2458","open_access":"1"}]},{"status":"public","intvolume":"       110","type":"journal_article","day":"25","page":"2482-2496","issue":"6","publication":"The Journal of Physical Chemistry B","language":[{"iso":"eng"}],"publisher":"American Chemical Society","scopus_import":"1","article_type":"original","date_published":"2006-01-25T00:00:00Z","month":"01","date_created":"2023-08-01T10:37:35Z","keyword":["Materials Chemistry","Surfaces","Coatings and Films","Physical and Theoretical Chemistry"],"author":[{"first_name":"Marcin","last_name":"Fialkowski","full_name":"Fialkowski, Marcin"},{"last_name":"Bishop","full_name":"Bishop, Kyle J. M.","first_name":"Kyle J. M."},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","last_name":"Klajn","first_name":"Rafal"},{"last_name":"Smoukov","full_name":"Smoukov, Stoyan K.","first_name":"Stoyan K."},{"first_name":"Christopher J.","last_name":"Campbell","full_name":"Campbell, Christopher J."},{"first_name":"Bartosz A.","full_name":"Grzybowski, Bartosz A.","last_name":"Grzybowski"}],"abstract":[{"text":"Dynamic self-assembly (DySA) processes occurring outside of thermodynamic equilibrium underlie many forms of adaptive and intellligent behaviors in natural systems. Relatively little, however, is known about the principles that govern DySA and the ways in which it can be extended to artificial ensembles. This article discusses recent advances in both the theory and the practice of nonequilibrium self-assembly. It is argued that a union of ideas from thermodynamics and dynamic systems' theory can provide a general description of DySA. In parallel, heuristic design rules can be used to construct DySA systems of increasing complexities based on a variety of suitable interactions/potentials on length scales from nanoscopic to macroscopic. Applications of these rules to magnetohydrodynamic DySA are also discussed.","lang":"eng"}],"publication_status":"published","citation":{"chicago":"Fialkowski, Marcin, Kyle J. M. Bishop, Rafal Klajn, Stoyan K. Smoukov, Christopher J. Campbell, and Bartosz A. Grzybowski. “Principles and Implementations of Dissipative (Dynamic) Self-Assembly.” <i>The Journal of Physical Chemistry B</i>. American Chemical Society, 2006. <a href=\"https://doi.org/10.1021/jp054153q\">https://doi.org/10.1021/jp054153q</a>.","apa":"Fialkowski, M., Bishop, K. J. M., Klajn, R., Smoukov, S. K., Campbell, C. J., &#38; Grzybowski, B. A. (2006). Principles and implementations of dissipative (dynamic) self-assembly. <i>The Journal of Physical Chemistry B</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jp054153q\">https://doi.org/10.1021/jp054153q</a>","ieee":"M. Fialkowski, K. J. M. Bishop, R. Klajn, S. K. Smoukov, C. J. Campbell, and B. A. Grzybowski, “Principles and implementations of dissipative (dynamic) self-assembly,” <i>The Journal of Physical Chemistry B</i>, vol. 110, no. 6. American Chemical Society, pp. 2482–2496, 2006.","short":"M. Fialkowski, K.J.M. Bishop, R. Klajn, S.K. Smoukov, C.J. Campbell, B.A. Grzybowski, The Journal of Physical Chemistry B 110 (2006) 2482–2496.","ista":"Fialkowski M, Bishop KJM, Klajn R, Smoukov SK, Campbell CJ, Grzybowski BA. 2006. Principles and implementations of dissipative (dynamic) self-assembly. The Journal of Physical Chemistry B. 110(6), 2482–2496.","mla":"Fialkowski, Marcin, et al. “Principles and Implementations of Dissipative (Dynamic) Self-Assembly.” <i>The Journal of Physical Chemistry B</i>, vol. 110, no. 6, American Chemical Society, 2006, pp. 2482–96, doi:<a href=\"https://doi.org/10.1021/jp054153q\">10.1021/jp054153q</a>.","ama":"Fialkowski M, Bishop KJM, Klajn R, Smoukov SK, Campbell CJ, Grzybowski BA. Principles and implementations of dissipative (dynamic) self-assembly. <i>The Journal of Physical Chemistry B</i>. 2006;110(6):2482-2496. doi:<a href=\"https://doi.org/10.1021/jp054153q\">10.1021/jp054153q</a>"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","quality_controlled":"1","oa_version":"None","_id":"13430","pmid":1,"extern":"1","publication_identifier":{"issn":["1520-6106","1520-5207"]},"date_updated":"2023-08-08T11:33:08Z","volume":110,"article_processing_charge":"No","title":"Principles and implementations of dissipative (dynamic) self-assembly","external_id":{"pmid":["16471845"]},"year":"2006","doi":"10.1021/jp054153q"}]