@article{12793,
  abstract     = {Let F be a global function field with constant field Fq. Let G be a reductive group over Fq. We establish a variant of Arthur's truncated kernel for G and for its Lie algebra which generalizes Arthur's original construction. We establish a coarse geometric expansion for our variant truncation.
As applications, we consider some existence and uniqueness problems of some cuspidal automorphic representations for the functions field of the projective line P1Fq with two points of ramifications.},
  author       = {Yu, Hongjie},
  issn         = {1945-5844},
  journal      = {Pacific Journal of Mathematics},
  keywords     = {Arthur–Selberg trace formula, cuspidal automorphic representations, global function fields},
  number       = {1},
  pages        = {193--237},
  publisher    = {Mathematical Sciences Publishers},
  title        = {{ A coarse geometric expansion of a variant of Arthur's truncated traces and some applications}},
  doi          = {10.2140/pjm.2022.321.193},
  volume       = {321},
  year         = {2022},
}

@unpublished{12860,
  abstract     = {Memorization of the relation between entities in a dataset can lead to privacy issues when using a trained model for question answering. We introduce Relational Memorization (RM) to understand, quantify and control this phenomenon. While bounding general memorization can have detrimental effects on the performance of a trained model, bounding RM does not prevent effective learning. The difference is most pronounced when the data distribution is long-tailed, with many queries having only few training examples: Impeding general memorization prevents effective learning, while impeding only relational memorization still allows learning general properties of the underlying concepts. We formalize the notion of Relational Privacy (RP) and, inspired by Differential Privacy (DP), we provide a possible definition of Differential Relational Privacy (DrP). These notions can be used to describe and compute bounds on the amount of RM in a trained model. We illustrate Relational Privacy concepts in experiments with large-scale models for Question Answering.},
  author       = {Bombari, Simone and Achille, Alessandro and Wang, Zijian and Wang, Yu-Xiang and Xie, Yusheng and Singh, Kunwar Yashraj and Appalaraju, Srikar and Mahadevan, Vijay and Soatto, Stefano},
  booktitle    = {arXiv},
  title        = {{Towards differential relational privacy and its use in question answering}},
  doi          = {10.48550/arXiv.2203.16701},
  year         = {2022},
}

@inproceedings{12894,
  author       = {Schlögl, Alois and Hornoiu, Andrei and Elefante, Stefano and Stadlbauer, Stephan},
  booktitle    = {ASHPC22 - Austrian-Slovenian HPC Meeting 2022},
  isbn         = {978-3-200-08499-5},
  location     = {Grundlsee, Austria},
  pages        = {7},
  publisher    = {EuroCC Austria c/o Universität Wien},
  title        = {{Where is the sweet spot? A procurement story of general purpose compute nodes}},
  doi          = {10.25365/phaidra.337},
  year         = {2022},
}

@article{12923,
  abstract     = {Photoredox-mediated Ni-catalyzed cross-couplings are powerful transformations to form carbon–heteroatom bonds and are generally photocatalyzed by noble metal complexes. Low-cost and easy-to-prepare carbon dots (CDs) are attractive quasi-homogeneous photocatalyst alternatives, but their applicability is limited by their short photoluminescence (PL) lifetimes. By tuning the surface and PL properties of CDs, we designed colloidal CD nano-photocatalysts for a broad range of Ni-mediated cross-couplings between aryl halides and nucleophiles. In particular, a CD decorated with amino groups permitted coupling to a wide range of aryl halides and thiols under mild, base-free conditions. Mechanistic studies suggested dynamic quenching of the CD excited state by the Ni co-catalyst and identified that pyridinium iodide (pyHI), a previously used additive in metallaphotocatalyzed cross-couplings, can also act as a photocatalyst in such transformations.},
  author       = {Zhao, Zhouxiang and Pieber, Bartholomäus and Delbianco, Martina},
  issn         = {2155-5435},
  journal      = {ACS Catalysis},
  keywords     = {Catalysis, General Chemistry},
  number       = {22},
  pages        = {13831--13837},
  publisher    = {American Chemical Society},
  title        = {{Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings}},
  doi          = {10.1021/acscatal.2c04025},
  volume       = {12},
  year         = {2022},
}

@article{12924,
  abstract     = {We demonstrate that several visible-light-mediated carbon−heteroatom cross-coupling reactions can be carried out using a photoactive NiII precatalyst that forms in situ from a nickel salt and a bipyridine ligand decorated with two carbazole groups (Ni(Czbpy)Cl2). The activation of this precatalyst towards cross-coupling reactions follows a hitherto undisclosed mechanism that is different from previously reported light-responsive nickel complexes that undergo metal-to-ligand charge transfer. Theoretical and spectroscopic investigations revealed that irradiation of Ni(Czbpy)Cl2 with visible light causes an initial intraligand charge transfer event that triggers productive catalysis. Ligand polymerization affords a porous, recyclable organic polymer for heterogeneous nickel catalysis of cross-coupling reactions. The heterogeneous catalyst shows stable performance in a packed-bed flow reactor during a week of continuous operation.},
  author       = {Cavedon, Cristian and Gisbertz, Sebastian and Reischauer, Susanne and Vogl, Sarah and Sperlich, Eric and Burke, John H. and Wallick, Rachel F. and Schrottke, Stefanie and Hsu, Wei‐Hsin and Anghileri, Lucia and Pfeifer, Yannik and Richter, Noah and Teutloff, Christian and Müller‐Werkmeister, Henrike and Cambié, Dario and Seeberger, Peter H. and Vura‐Weis, Josh and van der Veen, Renske M. and Thomas, Arne and Pieber, Bartholomäus},
  issn         = {1521-3773},
  journal      = {Angewandte Chemie International Edition},
  keywords     = {General Chemistry, Catalysis},
  number       = {46},
  publisher    = {Wiley},
  title        = {{Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions}},
  doi          = {10.1002/anie.202211433},
  volume       = {61},
  year         = {2022},
}

@article{12938,
  abstract     = {In this work, a feed-forward artificial neural network (FF-ANN) design capable of locating eigensolutions to Schrödinger's equation via self-supervised learning is outlined. Based on the input potential determining the nature of the quantum problem, the presented FF-ANN strategy identifies valid solutions solely by minimizing Schrödinger's equation encoded in a suitably designed global loss function. In addition to benchmark calculations of prototype systems with known analytical solutions, the outlined methodology was also applied to experimentally accessible quantum systems, such as the vibrational states of molecular hydrogen H2 and its isotopologues HD and D2 as well as the torsional tunnel splitting in the phenol molecule. It is shown that in conjunction with the use of SIREN activation functions a high accuracy in the energy eigenvalues and wavefunctions is achieved without the requirement to adjust the implementation to the vastly different range of input potentials, thereby even considering problems under periodic boundary conditions.},
  author       = {Gamper, Jakob and Kluibenschedl, Florian and Weiss, Alexander K. H. and Hofer, Thomas S.},
  issn         = {1463-9076},
  journal      = {Physical Chemistry Chemical Physics},
  keywords     = {Physical and Theoretical Chemistry, General Physics and Astronomy},
  number       = {41},
  pages        = {25191--25202},
  publisher    = {Royal Society of Chemistry},
  title        = {{From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems}},
  doi          = {10.1039/d2cp03921d},
  volume       = {24},
  year         = {2022},
}

@misc{13064,
  abstract     = {Genetically informed, deep-phenotyped biobanks are an important research resource and it is imperative that the most powerful, versatile, and efficient analysis approaches are used. Here, we apply our recently developed Bayesian grouped mixture of regressions model (GMRM) in the UK and Estonian Biobanks and obtain the highest genomic prediction accuracy reported to date across 21 heritable traits. When compared to other approaches, GMRM accuracy was greater than annotation prediction models run in the LDAK or LDPred-funct software by 15% (SE 7%) and 14% (SE 2%), respectively, and was 18% (SE 3%) greater than a baseline BayesR model without single-nucleotide polymorphism (SNP) markers grouped into minor allele frequency–linkage disequilibrium (MAF-LD) annotation categories. For height, the prediction accuracy R 2 was 47% in a UK Biobank holdout sample, which was 76% of the estimated h SNP 2 . We then extend our GMRM prediction model to provide mixed-linear model association (MLMA) SNP marker estimates for genome-wide association (GWAS) discovery, which increased the independent loci detected to 16,162 in unrelated UK Biobank individuals, compared to 10,550 from BoltLMM and 10,095 from Regenie, a 62 and 65% increase, respectively. The average χ2 value of the leading markers increased by 15.24 (SE 0.41) for every 1% increase in prediction accuracy gained over a baseline BayesR model across the traits. Thus, we show that modeling genetic associations accounting for MAF and LD differences among SNP markers, and incorporating prior knowledge of genomic function, is important for both genomic prediction and discovery in large-scale individual-level studies.},
  author       = {Orliac, Etienne and Trejo Banos, Daniel and Ojavee, Sven and Läll, Kristi and Mägi, Reedik and Visscher, Peter and Robinson, Matthew Richard},
  publisher    = {Dryad},
  title        = {{Improving genome-wide association discovery and genomic prediction accuracy in biobank data}},
  doi          = {10.5061/DRYAD.GTHT76HMZ},
  year         = {2022},
}

@misc{13066,
  abstract     = {Chromosomal inversions have been shown to play a major role in local adaptation by suppressing recombination between alternative arrangements and maintaining beneficial allele combinations. However, so far, their importance relative to the remaining genome remains largely unknown. Understanding the genetic architecture of adaptation requires better estimates of how loci of different effect sizes contribute to phenotypic variation. Here, we used three Swedish islands where the marine snail Littorina saxatilis has repeatedly evolved into two distinct ecotypes along a habitat transition. We estimated the contribution of inversion polymorphisms to phenotypic divergence while controlling for polygenic effects in the remaining genome using a quantitative genetics framework. We confirmed the importance of inversions but showed that contributions of loci outside inversions are of similar magnitude, with variable proportions dependent on the trait and the population. Some inversions showed consistent effects across all sites, whereas others exhibited site-specific effects, indicating that the genomic basis for replicated phenotypic divergence is only partly shared. The contributions of sexual dimorphism as well as environmental factors to phenotypic variation were significant but minor compared to inversions and polygenic background. Overall, this integrated approach provides insight into the multiple mechanisms contributing to parallel phenotypic divergence.},
  author       = {Koch, Eva and Ravinet, Mark and Westram, Anja M and Jonannesson, Kerstin and Butlin, Roger},
  publisher    = {Dryad},
  title        = {{Data from: Genetic architecture of repeated phenotypic divergence in Littorina saxatilis ecotype evolution}},
  doi          = {10.5061/DRYAD.M905QFV4B},
  year         = {2022},
}

@misc{13076,
  abstract     = {The source code for replicating experiments presented in the paper.

The implementation of the designed priority schedulers can be found in Galois-2.2.1/include/Galois/WorkList/:
StealingMultiQueue.h is the StealingMultiQueue.
MQOptimized/ contains MQ Optimized variants.

We provide images that contain all the dependencies and datasets. Images can be pulled from npostnikova/mq-based-schedulers repository, or downloaded from Zenodo. See readme for more detail.},
  author       = {Postnikova, Anastasiia and Koval, Nikita and Nadiradze, Giorgi and Alistarh, Dan-Adrian},
  publisher    = {Zenodo},
  title        = {{Multi-queues can be state-of-the-art priority schedulers}},
  doi          = {10.5281/ZENODO.5733408},
  year         = {2022},
}

@inproceedings{13239,
  abstract     = {Brains are thought to engage in predictive learning - learning to predict upcoming stimuli - to construct an internal model of their environment. This is especially notable for spatial navigation, as first described by Tolman’s latent learning tasks. However, predictive learning has also been observed in sensory cortex, in settings unrelated to spatial navigation. Apart from normative frameworks such as active inference or efficient coding, what could be the utility of learning to predict the patterns of occurrence of correlated stimuli? Here we show that prediction, and thereby the construction of an internal model of sequential stimuli, can bootstrap the learning process of a working memory task in a recurrent neural network. We implemented predictive learning alongside working memory match-tasks, and networks emerged to solve the prediction task first by encoding information across time to predict upcoming stimuli, and then eavesdropped on this solution to solve the matching task. Eavesdropping was most beneficial when neural resources were limited. Hence, predictive learning acts as a general neural mechanism to learn to store sensory information that can later be essential for working memory tasks.},
  author       = {Van Der Plas, Thijs L. and Vogels, Tim P and Manohar, Sanjay G.},
  booktitle    = {Proceedings of Machine Learning Research},
  issn         = {2640-3498},
  pages        = {518--531},
  publisher    = {ML Research Press},
  title        = {{Predictive learning enables neural networks to learn complex working memory tasks}},
  volume       = {199},
  year         = {2022},
}

@article{13240,
  abstract     = {Ustilago maydis is a biotrophic phytopathogenic fungus that causes corn smut disease. As a well-established model system, U. maydis is genetically fully accessible with large omics datasets available and subject to various biological questions ranging from DNA-repair, RNA-transport, and protein secretion to disease biology. For many genetic approaches, tight control of transgene regulation is important. Here we established an optimised version of the Tetracycline-ON (TetON) system for U. maydis. We demonstrate the Tetracycline concentration-dependent expression of fluorescent protein transgenes and the system’s suitability for the induced expression of the toxic protein BCL2 Associated X-1 (Bax1). The Golden Gate compatible vector system contains a native minimal promoter from the mating factor a-1 encoding gene, mfa with ten copies of the tet-regulated operator (tetO) and a codon optimised Tet-repressor (tetR*) which is translationally fused to the native transcriptional corepressor Mql1 (UMAG_05501). The metabolism-independent transcriptional regulator system is functional both, in liquid culture as well as on solid media in the presence of the inducer and can become a useful tool for toxin-antitoxin studies, identification of antifungal proteins, and to study functions of toxic gene products in Ustilago maydis.},
  author       = {Ingole, Kishor D. and Nagarajan, Nithya and Uhse, Simon and Giannini, Caterina and Djamei, Armin},
  issn         = {2673-6128},
  journal      = {Frontiers in Fungal Biology},
  publisher    = {Frontiers Media},
  title        = {{Tetracycline-controlled (TetON) gene expression system for the smut fungus Ustilago maydis}},
  doi          = {10.3389/ffunb.2022.1029114},
  volume       = {3},
  year         = {2022},
}

@inproceedings{13241,
  abstract     = {Addressing fairness concerns about machine learning models is a crucial step towards their long-term adoption in real-world automated systems. Many approaches for training fair models from data have been developed and an implicit assumption about such algorithms is that they are able to recover a fair model, despite potential historical biases in the data. In this work we show a number of impossibility results that indicate that there is no learning algorithm that can recover a fair model when a proportion of the dataset is subject to arbitrary manipulations. Specifically, we prove that there are situations in which an adversary can force any learner to return a biased classifier, with or without degrading accuracy, and that the strength of this bias increases for learning problems with underrepresented protected groups in the data. Our results emphasize on the importance of studying further data corruption models of various strength and of establishing stricter data collection practices for fairness-aware learning.},
  author       = {Konstantinov, Nikola H and Lampert, Christoph},
  booktitle    = {Proceedings of Machine Learning Research},
  issn         = {2640-3498},
  pages        = {59--83},
  publisher    = {ML Research Press},
  title        = {{On the impossibility of fairness-aware learning from corrupted data}},
  volume       = {171},
  year         = {2022},
}

@unpublished{13345,
  abstract     = {The self-assembly of inorganic nanoparticles (NPs) into ordered structures (superlattices) has led to a wide range of nanomaterials with unique optical, magnetic, electronic, and catalytic properties. Various interactions have been employed to direct the crystallization of NPs, including van der Waals forces, hydrogen bonding, as well as electric and magnetic dipolar interactions. Among them, Coulombic interactions—ubiquitous in nature and the main driving force behind the formation of many minerals, such as fluorite or rock salt—have remained largely underexplored, owing to the rapid charge exchange between NPs bearing high densities of opposite charges (superionic NPs). Here, we worked with superionic NPs under conditions (room temperature, concentrated salt solutions) that preserved their native surface charge density. We demonstrate that under these conditions, the Coulombic interactions between superionic NPs are reminiscent of short-range intermolecular interactions. Our methodology was used to assemble oppositely charged NPs into high-quality superlattices exhibiting Catalan shapes. Depending on their size ratio, the NPs assembled into either rhombic dodecahedra or triakis tetrahedra with structures mimicking those of the ionic solids CsCl and Th3P4, respectively. We envision that the methodology described here can be applied to a wide range of charged NPs of various sizes, shapes, and compositions, thus facilitating the discovery of new nanomaterials.},
  author       = {Bian, Tong and Lobato, Ivan and Wang, Ji and Nitka, Tara A. and Peled, Tzuf Shay and Lee, Byeongdu and Van Aert, Sandra and Bals, Sara and Vuković, Lela and Altantzis, Thomas and Král, Petr and Klajn, Rafal},
  booktitle    = {ChemRxiv},
  title        = {{Catalan solids from superionic nanoparticles}},
  doi          = {10.26434/chemrxiv-2022-klncg},
  year         = {2022},
}

@article{13347,
  abstract     = {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.},
  author       = {Yanshyna, Oksana and Białek, Michał J. and Chashchikhin, Oleg V. and Klajn, Rafal},
  issn         = {2399-3669},
  journal      = {Communications Chemistry},
  keywords     = {Materials Chemistry, Biochemistry, Environmental Chemistry, General Chemistry},
  publisher    = {Springer Nature},
  title        = {{Encapsulation within a coordination cage modulates the reactivity of redox-active dyes}},
  doi          = {10.1038/s42004-022-00658-8},
  volume       = {5},
  year         = {2022},
}

@article{13348,
  abstract     = {Molecular confinement effects can profoundly alter the physicochemical properties of the confined species. A plethora of organic molecules were encapsulated within the cavities of supramolecular hosts, and the impact of the cavity size and polarity was widely investigated. However, the extent to which the properties of the confined guests can be affected by the symmetry of the cage─which dictates the shape of the cavity─remains to be understood. Here we show that cage symmetry has a dramatic effect on the equilibrium between two isomers of the encapsulated spiropyran guests. Working with two Pd-based coordination cages featuring similarly sized but differently shaped hydrophobic cavities, we found a highly selective stabilization of the isomer whose shape matches that of the cavity of the cage. A Td-symmetric cage stabilized the spiropyrans’ colorless form and rendered them photochemically inert. In contrast, a D2h-symmetric cage favored the colored isomer, while maintaining reversible photoswitching between the two states of the encapsulated spiropyrans. We also show that the switching kinetics strongly depend on the substitution pattern on the spiropyran scaffold. This finding was used to fabricate a time-sensitive information storage medium with tunable lifetimes of the encoded messages.},
  author       = {Wang, Jinhua and Avram, Liat and Diskin-Posner, Yael and Białek, Michał J. and Stawski, Wojciech and Feller, Moran and Klajn, Rafal},
  issn         = {1520-5126},
  journal      = {Journal of the American Chemical Society},
  keywords     = {Colloid and Surface Chemistry, Biochemistry, General Chemistry, Catalysis},
  number       = {46},
  pages        = {21244--21254},
  publisher    = {American Chemical Society},
  title        = {{Altering the properties of spiropyran switches using coordination cages with different symmetries}},
  doi          = {10.1021/jacs.2c08901},
  volume       = {144},
  year         = {2022},
}

@article{13350,
  abstract     = {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.},
  author       = {Gemen, Julius and Białek, Michał J. and Kazes, Miri and Shimon, Linda J.W. and Feller, Moran and Semenov, Sergey N. and Diskin-Posner, Yael and Oron, Dan and Klajn, Rafal},
  issn         = {2451-9294},
  journal      = {Chem},
  keywords     = {Materials Chemistry, Biochemistry (medical), General Chemical Engineering, Environmental Chemistry, Biochemistry, General Chemistry},
  number       = {9},
  pages        = {2362--2379},
  publisher    = {Elsevier},
  title        = {{Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence}},
  doi          = {10.1016/j.chempr.2022.05.008},
  volume       = {8},
  year         = {2022},
}

@article{13351,
  abstract     = {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       = {Gemen, Julius and Klajn, Rafal},
  issn         = {2451-9294},
  journal      = {Chem},
  keywords     = {Materials Chemistry, Biochemistry (medical), General Chemical Engineering, Environmental Chemistry, Biochemistry, General Chemistry},
  number       = {5},
  pages        = {1183--1186},
  publisher    = {Elsevier},
  title        = {{Electron catalysis expands the supramolecular chemist’s toolbox}},
  doi          = {10.1016/j.chempr.2022.04.022},
  volume       = {8},
  year         = {2022},
}

@article{13352,
  abstract     = {Optoelectronic effects differentiating absorption of right and left circularly polarized photons in thin films of chiral materials are typically prohibitively small for their direct photocurrent observation. Chiral metasurfaces increase the electronic sensitivity to circular polarization, but their out-of-plane architecture entails manufacturing and performance trade-offs. Here, we show that nanoporous thin films of chiral nanoparticles enable high sensitivity to circular polarization due to light-induced polarization-dependent ion accumulation at nanoparticle interfaces. Self-assembled multilayers of gold nanoparticles modified with L-phenylalanine generate a photocurrent under right-handed circularly polarized light as high as 2.41 times higher than under left-handed circularly polarized light. The strong plasmonic coupling between the multiple nanoparticles producing planar chiroplasmonic modes facilitates the ejection of electrons, whose entrapment at the membrane–electrolyte interface is promoted by a thick layer of enantiopure phenylalanine. Demonstrated detection of light ellipticity with equal sensitivity at all incident angles mimics phenomenological aspects of polarization vision in marine animals. The simplicity of self-assembly and sensitivity of polarization detection found in optoionic membranes opens the door to a family of miniaturized fluidic devices for chiral photonics.},
  author       = {Cai, Jiarong and Zhang, Wei and Xu, Liguang and Hao, Changlong and Ma, Wei and Sun, Maozhong and Wu, Xiaoling and Qin, Xian and Colombari, Felippe Mariano and de Moura, André Farias and Xu, Jiahui and Silva, Mariana Cristina and Carneiro-Neto, Evaldo Batista and Gomes, Weverson Rodrigues and Vallée, Renaud A. L. and Pereira, Ernesto Chaves and Liu, Xiaogang and Xu, Chuanlai and Klajn, Rafal and Kotov, Nicholas A. and Kuang, Hua},
  issn         = {1748-3395},
  journal      = {Nature Nanotechnology},
  keywords     = {Electrical and Electronic Engineering, Condensed Matter Physics, General Materials Science, Biomedical Engineering, Atomic and Molecular Physics, and Optics, Bioengineering},
  number       = {4},
  pages        = {408--416},
  publisher    = {Springer Nature},
  title        = {{Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticles}},
  doi          = {10.1038/s41565-022-01079-3},
  volume       = {17},
  year         = {2022},
}

@article{13353,
  abstract     = {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.},
  author       = {Yanshyna, Oksana and Avram, Liat and Shimon, Linda J. W. and Klajn, Rafal},
  issn         = {1364-548X},
  journal      = {Chemical Communications},
  keywords     = {Materials Chemistry, Metals and Alloys, Surfaces, Coatings and Films, General Chemistry, Ceramics and Composites, Electronic, Optical and Magnetic Materials, Catalysis},
  number       = {21},
  pages        = {3461--3464},
  publisher    = {Royal Society of Chemistry},
  title        = {{Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine}},
  doi          = {10.1039/d1cc07081a},
  volume       = {58},
  year         = {2022},
}

@article{13355,
  abstract     = {Supramolecular self-assembly in biological systems holds promise to convert and amplify disease-specific signals to physical or mechanical signals that can direct cell fate. However, it remains challenging to design physiologically stable self-assembling systems that demonstrate tunable and predictable behavior. Here, the use of zwitterionic tetrapeptide modalities to direct nanoparticle assembly under physiological conditions is reported. The self-assembly of gold nanoparticles can be activated by enzymatic unveiling of surface-bound zwitterionic tetrapeptides through matrix metalloprotease-9 (MMP-9), which is overexpressed by cancer cells. This robust nanoparticle assembly is achieved by multivalent, self-complementary interactions of the zwitterionic tetrapeptides. In cancer cells that overexpress MMP-9, the nanoparticle assembly process occurs near the cell membrane and causes size-induced selection of cellular uptake mechanism, resulting in diminished cell growth. The enzyme responsiveness, and therefore, indirectly, the uptake route of the system can be programmed by customizing the peptide sequence: a simple inversion of the two amino acids at the cleavage site completely inactivates the enzyme responsiveness, self-assembly, and consequently changes the endocytic pathway. This robust self-complementary, zwitterionic peptide design demonstrates the use of enzyme-activated electrostatic side-chain patterns as powerful and customizable peptide modalities to program nanoparticle self-assembly and alter cellular response in biological context.},
  author       = {Huang, Richard H. and Nayeem, Nazia and He, Ye and Morales, Jorge and Graham, Duncan and Klajn, Rafal and Contel, Maria and O'Brien, Stephen and Ulijn, Rein V.},
  issn         = {1521-4095},
  journal      = {Advanced Materials},
  keywords     = {Mechanical Engineering, Mechanics of Materials, General Materials Science},
  number       = {1},
  publisher    = {Wiley},
  title        = {{Self‐complementary zwitterionic peptides direct nanoparticle assembly and enable enzymatic selection of endocytic pathways}},
  doi          = {10.1002/adma.202104962},
  volume       = {34},
  year         = {2022},
}