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Synergistic interference with SARS-CoV-2 replication by molnupiravir-derived N4-hydroxycytidine and inhibitors of CTP synthetase in cell culture
No full text1,4-Phosphagermines: An Anionic 6π-heteroaromatic Biradicaloid and a Persistent π-Delocalized Radical
No full textTransferability of European-derived Alzheimer’s disease polygenic risk scores across multiancestry populations
No full textEffects of change in dysfunctional beliefs in avatar-based cognitive therapy for depressive symptoms: a randomized parallel trial
No full textAbstract This study evaluated the effect of an avatar-based intervention on depressive symptoms and self-esteem. Participants ( N = 151) with subclinical depressive symptoms were instructed to challenge an avatar over three sessions. While participants within the intervention group challenged their personal dysfunctional beliefs, participants in the control group challenged nonsense statements. Allocation to treatment groups was randomized. Data collection took place pre-intervention and post-intervention. Statistical analysis revealed a significant decrease in depressive symptoms, which was more pronounced for the intervention group ( p < .01), as well as a significant group × time interaction for self-esteem ( p < .05). The effect on depression symptom strength was large in the experimental group ( d = − 1.19) and medium ( d = − 0.72) in the control group, while the effect on self-esteem was moderate ( d = 0.54) in the intervention and small ( d = 0.29) in the control group. Our findings on symptom reduction align with prior research, while positive effects on self-esteem are a novelty. These results demonstrate the intervention’s potential for reducing the symptoms of mental illness
Dirac-cone induced metallic conductivity in Cu 3 (HHTP) 2 : high-quality MOF thin films fabricated via ML-driven robotic synthesis
No full textMachine learning-guided robotic synthesis enables fabrication of high-quality Cu 3 (HHTP) 2 SURMOFs exhibiting intrinsic metallic conductivity—marked by increasing conductivity upon cooling—paving the way for investigating quantum phenomena in 2D MOFs.Metal–organic frameworks have garnered interest for over 25 years in energy and electronics, yet their adoption in devices has been hindered by low electrical conductivity, largely attributed to activated transport. Our study demonstrates a significant shift, revealing metallic conductivity in Cu 3 (HHTP) 2 thin films—240 S m −1 at room temperature and 300 S m −1 at 100 K, a departure from its presumed semiconductive nature. Achieved through robotic, AI-based layer-by-layer assembly in a self-driving laboratory, this method produces SURMOFs with minimal defects, optimized via rapid surrogate characterization techniques. Our research, supported by both electronic structure calculations and experimental verification, identifies a persistent Dirac cone in the hexagonal D 6h symmetry of 2D sheets as crucial for the observed metallic behavior. Notably, even with ABAB stacking in the bulk, this Dirac cone feature maintains metallic conductivity, enhancing at lower temperatures. This breakthrough not only clarifies the conduction mechanism in Cu 3 (HHTP) 2 but also highlights the SDL's potential in developing high-quality MOF thin films for future applications. Our findings indicate that tailoring the Dirac cone's energy could lead to a new class of highly conductive, metallic MOFs.Machine learning-guided robotic synthesis enables fabrication of high-quality Cu 3 (HHTP) 2 SURMOFs exhibiting intrinsic metallic conductivity—marked by increasing conductivity upon cooling—paving the way for investigating quantum phenomena in 2D MOFs.Metal–organic frameworks have garnered interest for over 25 years in energy and electronics, yet their adoption in devices has been hindered by low electrical conductivity, largely attributed to activated transport. Our study demonstrates a significant shift, revealing metallic conductivity in Cu 3 (HHTP) 2 thin films—240 S m −1 at room temperature and 300 S m −1 at 100 K, a departure from its presumed semiconductive nature. Achieved through robotic, AI-based layer-by-layer assembly in a self-driving laboratory, this method produces SURMOFs with minimal defects, optimized via rapid surrogate characterization techniques. Our research, supported by both electronic structure calculations and experimental verification, identifies a persistent Dirac cone in the hexagonal D 6h symmetry of 2D sheets as crucial for the observed metallic behavior. Notably, even with ABAB stacking in the bulk, this Dirac cone feature maintains metallic conductivity, enhancing at lower temperatures. This breakthrough not only clarifies the conduction mechanism in Cu 3 (HHTP) 2 but also highlights the SDL's potential in developing high-quality MOF thin films for future applications. Our findings indicate that tailoring the Dirac cone's energy could lead to a new class of highly conductive, metallic MOFs.Deutsche Forschungsgemeinschaft https://doi.org/10.13039/501100001659Carl-Zeiss-Stiftung https://doi.org/10.13039/100007569Fundação de Amparo à Pesquisa do Estado de São Paulo https://doi.org/10.13039/501100001807Conselho Nacional de Desenvolvimento Científico e Tecnológico https://doi.org/10.13039/50110000359
High-resolution structure of Zn 3 (HOTP) 2 (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF
No full textThough two-dimensional (2D) electrically conducting metal–organic frameworks (cMOFs) have become prominent due to their numerous potential applications, their structures are often implied or assumed from rather crude powder X-ray diffraction data.Although two-dimensional (2D) electrically conducting metal–organic frameworks (cMOFs) have become prominent due to their numerous potential applications, their structures are often implied or assumed from rather crude powder X-ray diffraction data. Indeed, exceedingly few examples exist of atomic-level structural details coming from single crystal diffraction experiments. Most widely studied among cMOFs are materials based on triphenylene ligands, in particular M 3 (HOTP) 2 (M = Cu, Zn) and [M 3 (HOTP) 2 ][M 3 (HOTP)] 2 (M = Mg, Ni, Co; H 6 HOTP = 2,3,6,7,10,11-hexahydroxytriphenylene), which are invariably described as 2D van der Waals materials with sheets of ligands connected by square planar or octahedral metal ions. Here, we employ electron diffraction to show that, unlike the Mg, Co, Ni, and Cu analogs, Zn 3 (HOTP) 2 crystallizes into a three-dimensional network that is analogous to the structures of the lanthanide-based HOTP MOFs. Moreover, similar to the lanthanide frameworks, Zn 3 (HOTP) 2 exhibits incommensurate modulation, likely originating from a frustration between the preferred π–π stacking distance and the Zn–O bond lengths, or from a Peierls distortion. This work reinforces the importance of employing single crystal diffraction measurements for the characterization of conductive MOFs, especially when trying to correlate electronic properties to structural details.Though two-dimensional (2D) electrically conducting metal–organic frameworks (cMOFs) have become prominent due to their numerous potential applications, their structures are often implied or assumed from rather crude powder X-ray diffraction data.Although two-dimensional (2D) electrically conducting metal–organic frameworks (cMOFs) have become prominent due to their numerous potential applications, their structures are often implied or assumed from rather crude powder X-ray diffraction data. Indeed, exceedingly few examples exist of atomic-level structural details coming from single crystal diffraction experiments. Most widely studied among cMOFs are materials based on triphenylene ligands, in particular M 3 (HOTP) 2 (M = Cu, Zn) and [M 3 (HOTP) 2 ][M 3 (HOTP)] 2 (M = Mg, Ni, Co; H 6 HOTP = 2,3,6,7,10,11-hexahydroxytriphenylene), which are invariably described as 2D van der Waals materials with sheets of ligands connected by square planar or octahedral metal ions. Here, we employ electron diffraction to show that, unlike the Mg, Co, Ni, and Cu analogs, Zn 3 (HOTP) 2 crystallizes into a three-dimensional network that is analogous to the structures of the lanthanide-based HOTP MOFs. Moreover, similar to the lanthanide frameworks, Zn 3 (HOTP) 2 exhibits incommensurate modulation, likely originating from a frustration between the preferred π–π stacking distance and the Zn–O bond lengths, or from a Peierls distortion. This work reinforces the importance of employing single crystal diffraction measurements for the characterization of conductive MOFs, especially when trying to correlate electronic properties to structural details.Grantová Agentura České Republiky https://doi.org/10.13039/501100001824Ministerstvo Skolství, Mládeže a Tělovýchovy https://doi.org/10.13039/501100001823Basic Energy Sciences https://doi.org/10.13039/100006151U.S. Department of Energy https://doi.org/10.13039/100000015National Science Foundation https://doi.org/10.13039/100000001National Science Foundation Graduate Research Fellowship Program https://doi.org/10.13039/100023581Massachusetts Institute of Technology https://doi.org/10.13039/10000691
Detection of Fe and CO emission lines and evidence for inefficient heat transport
No full textThe ultra-hot Jupiter (UHJ) TOI-2109b marks the lower edge of the equilibrium temperature gap between 3500 and 4500 K, an unexplored thermal regime that separates KELT-9b, the hottest planet yet discovered, from all other currently known gas giants. To study the thermochemical structure of TOI-2109b’s atmosphere, we obtained high-resolution emission spectra of both the planetary day- and nightsides with CAHA/CARMENES and VLT/CRIRES + . By applying the cross-correlation technique to the high-resolution spectra, we identified the emission signatures of Fe I (S/N = 4.3) and CO (S/N = 6.3), as well as a thermal inversion layer in the dayside atmo-sphere; no significant H 2 O signal was detected from the dayside. None of the analyzed species were detectable from the nightside atmosphere. We applied a Bayesian retrieval framework that combines high-resolution spectroscopy with photometric measurements to constrain the dayside atmospheric parameters and derive upper limits for the nightside hemisphere. The dayside thermal inversion extends from approximately 3200 to 4600 K, with an atmospheric metallicity consistent with that of the host star (0.36 dex). Only weak constraints could be placed on the C/O ratio, with a lower limit of 0.15. The retrieved spectral line broadening is consistent with tidally locked rotation, indicating the absence of strong dynamical processes in the atmosphere. An upper temperature limit of approximately 2400 K and a maximum atmospheric temperature gradient of about 700 K/log bar could be derived for the planetary nightside. Comparison of the retrieved dayside temperature-pressure profile with theoretical models, the absence of strong atmospheric dynamics, and significant differences in the thermal constraints between the day- and nightside hemispheres suggest a limited heat transport efficiency across the planetary atmosphere. Overall, our results place TOI-2109b in a transitional regime between the UHJs below the thermal gap, which show both CO and H 2 O emission lines, and KELT-9b, where molecular features are largely absent
Effekte eines sechswöchigen hochfrequenten standardisierten Sportprogramms (SIWAS) auf die Herzfrequenzvariabilität bei Patient*innen mit psychiatrischen Erkrankungen
No full textCitalopram als potenzielle Therapie und Prophylaxe für Alzheimer: Experimentelle Untersuchungen im 5xFAD-Mausmodell
No full textMacroscopic and microscopic investigations of the inhomogeneous distribution of impregnating agents in poplar wood ( Populus × canadensis Moench)
No full textGerman Research Foundation 10.13039/50110000165