--- _id: '12920' abstract: - lang: eng text: The multicomponent approach allows to incorporate several functionalities into a single covalent organic framework (COF) and consequently allows the construction of bifunctional materials for cooperative catalysis. The well-defined structure of such multicomponent COFs is furthermore ideally suited for structure-activity relationship studies. We report a series of multicomponent COFs that contain acridine- and 2,2’-bipyridine linkers connected through 1,3,5-benzenetrialdehyde derivatives. The acridine motif is responsible for broad light absorption, while the bipyridine unit enables complexation of nickel catalysts. These features enable the usage of the framework materials as catalysts for light-mediated carbon−heteroatom cross-couplings. Variation of the node units shows that the catalytic activity correlates to the keto-enamine tautomer isomerism. This allows switching between high charge-carrier mobility and persistent, localized charge-separated species depending on the nodes, a tool to tailor the materials for specific reactions. Moreover, nickel-loaded COFs are recyclable and catalyze cross-couplings even using red light irradiation. article_number: e202202967 article_processing_charge: No article_type: original author: - first_name: Michael full_name: Traxler, Michael last_name: Traxler - first_name: Susanne full_name: Reischauer, Susanne last_name: Reischauer - first_name: Sarah full_name: Vogl, Sarah last_name: Vogl - first_name: Jérôme full_name: Roeser, Jérôme last_name: Roeser - first_name: Jabor full_name: Rabeah, Jabor last_name: Rabeah - first_name: Christopher full_name: Penschke, Christopher last_name: Penschke - first_name: Peter full_name: Saalfrank, Peter last_name: Saalfrank - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X - first_name: Arne full_name: Thomas, Arne last_name: Thomas citation: ama: Traxler M, Reischauer S, Vogl S, et al. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. 2023;29(4). doi:10.1002/chem.202202967 apa: Traxler, M., Reischauer, S., Vogl, S., Roeser, J., Rabeah, J., Penschke, C., … Thomas, A. (2023). Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. Wiley. https://doi.org/10.1002/chem.202202967 chicago: Traxler, Michael, Susanne Reischauer, Sarah Vogl, Jérôme Roeser, Jabor Rabeah, Christopher Penschke, Peter Saalfrank, Bartholomäus Pieber, and Arne Thomas. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” Chemistry – A European Journal. Wiley, 2023. https://doi.org/10.1002/chem.202202967. ieee: M. Traxler et al., “Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts,” Chemistry – A European Journal, vol. 29, no. 4. Wiley, 2023. ista: Traxler M, Reischauer S, Vogl S, Roeser J, Rabeah J, Penschke C, Saalfrank P, Pieber B, Thomas A. 2023. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. 29(4), e202202967. mla: Traxler, Michael, et al. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” Chemistry – A European Journal, vol. 29, no. 4, e202202967, Wiley, 2023, doi:10.1002/chem.202202967. short: M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P. Saalfrank, B. Pieber, A. Thomas, Chemistry – A European Journal 29 (2023). date_created: 2023-05-08T08:25:34Z date_published: 2023-01-18T00:00:00Z date_updated: 2023-05-15T08:39:24Z day: '18' doi: 10.1002/chem.202202967 extern: '1' intvolume: ' 29' issue: '4' keyword: - General Chemistry - Catalysis - Organic Chemistry language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/chem.202202967 month: '01' oa: 1 oa_version: Published Version publication: Chemistry – A European Journal publication_identifier: eissn: - 1521-3765 issn: - 0947-6539 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 29 year: '2023' ... --- _id: '12921' abstract: - lang: eng text: Visible-light photocatalysis provides numerous useful methodologies for synthetic organic chemistry. However, the mechanisms of these reactions are often not fully understood. Common mechanistic experiments mainly aim to characterize excited state properties of photocatalysts and their interaction with other species. Recently, in situ reaction monitoring using dedicated techniques was shown to be well-suited for the identification of intermediates and to obtain kinetic insights, thereby providing more holistic pictures of the reactions of interest. This minireview surveys these technologies and discusses selected examples where reaction monitoring was used to elucidate the mechanism of photocatalytic reactions. article_number: e202201583 article_processing_charge: No article_type: original author: - first_name: Amiera full_name: Madani, Amiera last_name: Madani - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X citation: ama: Madani A, Pieber B. In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. 2023;15(7). doi:10.1002/cctc.202201583 apa: Madani, A., & Pieber, B. (2023). In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. Wiley. https://doi.org/10.1002/cctc.202201583 chicago: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic Organic Synthesis.” ChemCatChem. Wiley, 2023. https://doi.org/10.1002/cctc.202201583. ieee: A. Madani and B. Pieber, “In situ reaction monitoring in photocatalytic organic synthesis,” ChemCatChem, vol. 15, no. 7. Wiley, 2023. ista: Madani A, Pieber B. 2023. In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. 15(7), e202201583. mla: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic Organic Synthesis.” ChemCatChem, vol. 15, no. 7, e202201583, Wiley, 2023, doi:10.1002/cctc.202201583. short: A. Madani, B. Pieber, ChemCatChem 15 (2023). date_created: 2023-05-08T08:25:55Z date_published: 2023-04-06T00:00:00Z date_updated: 2023-05-15T08:35:48Z day: '06' doi: 10.1002/cctc.202201583 extern: '1' intvolume: ' 15' issue: '7' keyword: - Inorganic Chemistry - Organic Chemistry - Physical and Theoretical Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/cctc.202201583 month: '04' oa: 1 oa_version: Published Version publication: ChemCatChem publication_identifier: eissn: - 1867-3899 issn: - 1867-3880 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: In situ reaction monitoring in photocatalytic organic synthesis type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 15 year: '2023' ... --- _id: '12919' abstract: - lang: eng text: We report the visible light photocatalytic cleavage of trityl thioethers or ethers under pH-neutral conditions. The method results in the formation of the respective symmetrical disulfides and alcohols in moderate to excellent yield. The protocol only requires the addition of a suitable photocatalyst and light rendering it orthogonal to several functionalities, including acid labile protective groups. The same conditions can be used to directly convert trityl-protected thiols into unsymmetrical disulfides or selenosulfides, and to cleave trityl resins in solid phase organic synthesis. article_processing_charge: No article_type: original author: - first_name: Sho full_name: Murakami, Sho last_name: Murakami - first_name: Cosima full_name: Brudy, Cosima last_name: Brudy - first_name: Moritz full_name: Bachmann, Moritz last_name: Bachmann - first_name: Yoshiji full_name: Takemoto, Yoshiji last_name: Takemoto - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X citation: ama: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. Photocatalytic cleavage of trityl protected thiols and alcohols. Synthesis. 2023;55(09):1367-1374. doi:10.1055/a-1979-5933 apa: Murakami, S., Brudy, C., Bachmann, M., Takemoto, Y., & Pieber, B. (2023). Photocatalytic cleavage of trityl protected thiols and alcohols. Synthesis. Georg Thieme Verlag. https://doi.org/10.1055/a-1979-5933 chicago: Murakami, Sho, Cosima Brudy, Moritz Bachmann, Yoshiji Takemoto, and Bartholomäus Pieber. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” Synthesis. Georg Thieme Verlag, 2023. https://doi.org/10.1055/a-1979-5933. ieee: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, and B. Pieber, “Photocatalytic cleavage of trityl protected thiols and alcohols,” Synthesis, vol. 55, no. 09. Georg Thieme Verlag, pp. 1367–1374, 2023. ista: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. 2023. Photocatalytic cleavage of trityl protected thiols and alcohols. Synthesis. 55(09), 1367–1374. mla: Murakami, Sho, et al. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” Synthesis, vol. 55, no. 09, Georg Thieme Verlag, 2023, pp. 1367–74, doi:10.1055/a-1979-5933. short: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, B. Pieber, Synthesis 55 (2023) 1367–1374. date_created: 2023-05-08T08:25:08Z date_published: 2023-05-01T00:00:00Z date_updated: 2023-05-15T08:43:50Z day: '01' doi: 10.1055/a-1979-5933 extern: '1' intvolume: ' 55' issue: '09' keyword: - Organic Chemistry - Catalysis language: - iso: eng month: '05' oa_version: None page: 1367-1374 publication: Synthesis publication_identifier: eissn: - 1437-210X issn: - 0039-7881 publication_status: published publisher: Georg Thieme Verlag quality_controlled: '1' scopus_import: '1' status: public title: Photocatalytic cleavage of trityl protected thiols and alcohols type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 55 year: '2023' ... --- _id: '13048' abstract: - lang: eng text: In this paper we introduce a pruning of the medial axis called the (λ,α)-medial axis (axλα). We prove that the (λ,α)-medial axis of a set K is stable in a Gromov-Hausdorff sense under weak assumptions. More formally we prove that if K and K′ are close in the Hausdorff (dH) sense then the (λ,α)-medial axes of K and K′ are close as metric spaces, that is the Gromov-Hausdorff distance (dGH) between the two is 1/4-Hölder in the sense that dGH (axλα(K),axλα(K′)) ≲ dH(K,K′)1/4. The Hausdorff distance between the two medial axes is also bounded, by dH (axλα(K),λα(K′)) ≲ dH(K,K′)1/2. These quantified stability results provide guarantees for practical computations of medial axes from approximations. Moreover, they provide key ingredients for studying the computability of the medial axis in the context of computable analysis. acknowledgement: "We are greatly indebted to Erin Chambers for posing a number of questions that eventually led to this paper. We would also like to thank the other organizers of the workshop on ‘Algorithms\r\nfor the medial axis’. We are also indebted to Tatiana Ezubova for helping with the search for and translation of Russian literature. The second author thanks all members of the Edelsbrunner and Datashape groups for the atmosphere in which the research was conducted.\r\nThe research leading to these results has received funding from the European Research Council (ERC) under the European Union’s Seventh Framework Programme (FP/2007-2013) / ERC Grant Agreement No. 339025 GUDHI (Algorithmic Foundations of Geometry Understanding in Higher Dimensions). Supported by the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 754411. The Austrian science fund (FWF) M-3073." article_processing_charge: No author: - first_name: André full_name: Lieutier, André last_name: Lieutier - first_name: Mathijs full_name: Wintraecken, Mathijs id: 307CFBC8-F248-11E8-B48F-1D18A9856A87 last_name: Wintraecken orcid: 0000-0002-7472-2220 citation: ama: 'Lieutier A, Wintraecken M. Hausdorff and Gromov-Hausdorff stable subsets of the medial axis. In: Proceedings of the 55th Annual ACM Symposium on Theory of Computing. Association for Computing Machinery; 2023:1768-1776. doi:10.1145/3564246.3585113' apa: 'Lieutier, A., & Wintraecken, M. (2023). Hausdorff and Gromov-Hausdorff stable subsets of the medial axis. In Proceedings of the 55th Annual ACM Symposium on Theory of Computing (pp. 1768–1776). Orlando, FL, United States: Association for Computing Machinery. https://doi.org/10.1145/3564246.3585113' chicago: Lieutier, André, and Mathijs Wintraecken. “Hausdorff and Gromov-Hausdorff Stable Subsets of the Medial Axis.” In Proceedings of the 55th Annual ACM Symposium on Theory of Computing, 1768–76. Association for Computing Machinery, 2023. https://doi.org/10.1145/3564246.3585113. ieee: A. Lieutier and M. Wintraecken, “Hausdorff and Gromov-Hausdorff stable subsets of the medial axis,” in Proceedings of the 55th Annual ACM Symposium on Theory of Computing, Orlando, FL, United States, 2023, pp. 1768–1776. ista: 'Lieutier A, Wintraecken M. 2023. Hausdorff and Gromov-Hausdorff stable subsets of the medial axis. Proceedings of the 55th Annual ACM Symposium on Theory of Computing. STOC: Symposium on Theory of Computing, 1768–1776.' mla: Lieutier, André, and Mathijs Wintraecken. “Hausdorff and Gromov-Hausdorff Stable Subsets of the Medial Axis.” Proceedings of the 55th Annual ACM Symposium on Theory of Computing, Association for Computing Machinery, 2023, pp. 1768–76, doi:10.1145/3564246.3585113. short: A. Lieutier, M. Wintraecken, in:, Proceedings of the 55th Annual ACM Symposium on Theory of Computing, Association for Computing Machinery, 2023, pp. 1768–1776. conference: end_date: 2023-06-23 location: Orlando, FL, United States name: 'STOC: Symposium on Theory of Computing' start_date: 2023-06-20 date_created: 2023-05-22T08:02:02Z date_published: 2023-06-02T00:00:00Z date_updated: 2023-05-22T08:15:19Z day: '02' department: - _id: HeEd doi: 10.1145/3564246.3585113 ec_funded: 1 external_id: arxiv: - '2303.04014' language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2303.04014 month: '06' oa: 1 oa_version: Preprint page: 1768-1776 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships - _id: fc390959-9c52-11eb-aca3-afa58bd282b2 grant_number: M03073 name: Learning and triangulating manifolds via collapses publication: Proceedings of the 55th Annual ACM Symposium on Theory of Computing publication_identifier: isbn: - '9781450399135' publication_status: published publisher: Association for Computing Machinery quality_controlled: '1' status: public title: Hausdorff and Gromov-Hausdorff stable subsets of the medial axis type: conference user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2023' ... --- _id: '13053' abstract: - lang: eng text: 'Deep neural networks (DNNs) often have to be compressed, via pruning and/or quantization, before they can be deployed in practical settings. In this work we propose a new compression-aware minimizer dubbed CrAM that modifies the optimization step in a principled way, in order to produce models whose local loss behavior is stable under compression operations such as pruning. Thus, dense models trained via CrAM should be compressible post-training, in a single step, without significant accuracy loss. Experimental results on standard benchmarks, such as residual networks for ImageNet classification and BERT models for language modelling, show that CrAM produces dense models that can be more accurate than the standard SGD/Adam-based baselines, but which are stable under weight pruning: specifically, we can prune models in one-shot to 70-80% sparsity with almost no accuracy loss, and to 90% with reasonable (∼1%) accuracy loss, which is competitive with gradual compression methods. Additionally, CrAM can produce sparse models which perform well for transfer learning, and it also works for semi-structured 2:4 pruning patterns supported by GPU hardware. The code for reproducing the results is available at this https URL .' acknowledged_ssus: - _id: ScienComp acknowledgement: "AP, EK, DA received funding from the European Research Council (ERC) under the European\r\nUnion’s Horizon 2020 research and innovation programme (grant agreement No 805223 ScaleML). AV acknowledges the support of the French Agence Nationale de la Recherche (ANR), under grant ANR-21-CE48-0016 (project COMCOPT). We further acknowledge the support from the Scientific Service Units (SSU) of ISTA through resources provided by Scientific Computing (SciComp)-" article_processing_charge: No author: - first_name: Elena-Alexandra full_name: Peste, Elena-Alexandra id: 32D78294-F248-11E8-B48F-1D18A9856A87 last_name: Peste - first_name: Adrian full_name: Vladu, Adrian last_name: Vladu - first_name: Eldar full_name: Kurtic, Eldar id: 47beb3a5-07b5-11eb-9b87-b108ec578218 last_name: Kurtic - first_name: Christoph full_name: Lampert, Christoph id: 40C20FD2-F248-11E8-B48F-1D18A9856A87 last_name: Lampert orcid: 0000-0001-8622-7887 - first_name: Dan-Adrian full_name: Alistarh, Dan-Adrian id: 4A899BFC-F248-11E8-B48F-1D18A9856A87 last_name: Alistarh orcid: 0000-0003-3650-940X citation: ama: 'Peste E-A, Vladu A, Kurtic E, Lampert C, Alistarh D-A. CrAM: A Compression-Aware Minimizer. In: 11th International Conference on Learning Representations .' apa: 'Peste, E.-A., Vladu, A., Kurtic, E., Lampert, C., & Alistarh, D.-A. (n.d.). CrAM: A Compression-Aware Minimizer. In 11th International Conference on Learning Representations . Kigali, Rwanda .' chicago: 'Peste, Elena-Alexandra, Adrian Vladu, Eldar Kurtic, Christoph Lampert, and Dan-Adrian Alistarh. “CrAM: A Compression-Aware Minimizer.” In 11th International Conference on Learning Representations , n.d.' ieee: 'E.-A. Peste, A. Vladu, E. Kurtic, C. Lampert, and D.-A. Alistarh, “CrAM: A Compression-Aware Minimizer,” in 11th International Conference on Learning Representations , Kigali, Rwanda .' ista: 'Peste E-A, Vladu A, Kurtic E, Lampert C, Alistarh D-A. CrAM: A Compression-Aware Minimizer. 11th International Conference on Learning Representations . ICLR: International Conference on Learning Representations.' mla: 'Peste, Elena-Alexandra, et al. “CrAM: A Compression-Aware Minimizer.” 11th International Conference on Learning Representations .' short: E.-A. Peste, A. Vladu, E. Kurtic, C. Lampert, D.-A. Alistarh, in:, 11th International Conference on Learning Representations , n.d. conference: end_date: 2023-05-05 location: 'Kigali, Rwanda ' name: 'ICLR: International Conference on Learning Representations' start_date: 2023-05-01 date_created: 2023-05-23T11:36:18Z date_published: 2023-05-01T00:00:00Z date_updated: 2023-06-01T12:54:45Z department: - _id: GradSch - _id: DaAl - _id: ChLa ec_funded: 1 external_id: arxiv: - '2207.14200' language: - iso: eng main_file_link: - open_access: '1' url: https://openreview.net/pdf?id=_eTZBs-yedr month: '05' oa: 1 oa_version: Preprint project: - _id: 268A44D6-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '805223' name: Elastic Coordination for Scalable Machine Learning publication: '11th International Conference on Learning Representations ' publication_status: accepted quality_controlled: '1' related_material: record: - id: '13074' relation: dissertation_contains status: public status: public title: 'CrAM: A Compression-Aware Minimizer' type: conference user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2023' ...