bluuebunny/crossref_metadata_2025_split huggingface dataset:
Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity
Authors: Schäfer Christian , Flick Johannes , Ronca Enrico , Narang Prineha , Rubio Angel 
Published: December 2022

AbstractStrong light–matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mechanism that distinguishes between steering, accelerating, or decelerating a chemical reaction has, however, remained unclear, hampering progress in this frontier area of research. We leverage quantum-electrodynamical density-functional theory to unveil the microscopic mechanism behind the experimentally observed reduced reaction rate under cavity induced resonant vibrational strong light-matter coupling. We observe multiple resonances and obtain the thus far theoretically elusive but experimentally critical resonant feature for a single strongly coupled molecule undergoing the reaction. While we describe only a single mode and do not explicitly account for collective coupling or intermolecular interactions, the qualitative agreement with experimental measurements suggests that our conclusions can be largely abstracted towards the experimental realization. Specifically, we find that the cavity mode acts as mediator between different vibrational modes. In effect, vibrational energy localized in single bonds that are critical for the reaction is redistributed differently which ultimately inhibits the reaction.
Wood structure explained by complex spatial source-sink interactions
Authors: Friend Andrew D. , Eckes-Shephard Annemarie H. , Tupker Quinten 
Published: December 2022

AbstractWood is a remarkable material with great cultural, economic, and biogeochemical importance. However, our understanding of its formation is poor. Key properties that have not been explained include the anatomy of growth rings (with consistent transitions from low-density earlywood to high density latewood), strong temperature-dependence of latewood density (used for historical temperature reconstructions), the regulation of cell size, and overall growth-temperature relationships in conifer and ring-porous tree species. We have developed a theoretical framework based on observations on Pinus sylvestris L. in northern Sweden. The observed anatomical properties emerge from our framework as a consequence of interactions in time and space between the production of new cells, the dynamics of developmental zone widths, and the distribution of carbohydrates across the developing wood. Here we find that the diffusion of carbohydrates is critical to determining final ring anatomy, potentially overturning current understanding of how wood formation responds to environmental variability and transforming our interpretation of tree rings as proxies of past climates.
Torsional periodic lattice distortions and diffraction of twisted 2D materials
Authors: Sung Suk Hyun , Goh Yin Min , Yoo Hyobin , Engelke Rebecca , Xie Hongchao , Zhang Kuan , Li Zidong , Ye Andrew , Deotare Parag B. , Tadmor Ellad B. , Mannix Andrew J. , Park Jiwoong , Zhao Liuyan , Kim Philip , Hovden Robert 
Published: December 2022

AbstractTwisted 2D materials form complex moiré structures that spontaneously reduce symmetry through picoscale deformation within a mesoscale lattice. We show twisted 2D materials contain a torsional displacement field comprised of three transverse periodic lattice distortions (PLD). The torsional PLD amplitude provides a single order parameter that concisely describes the structural complexity of twisted bilayer moirés. Moreover, the structure and amplitude of a torsional periodic lattice distortion is quantifiable using rudimentary electron diffraction methods sensitive to reciprocal space. In twisted bilayer graphene, the torsional PLD begins to form at angles below 3.89° and the amplitude reaches 8 pm around the magic angle of 1. 1°. At extremely low twist angles (e.g. below 0.25°) the amplitude increases and additional PLD harmonics arise to expand Bernal stacked domains separated by well defined solitonic boundaries. The torsional distortion field in twisted bilayer graphene is analytically described and has an upper bound of 22.6 pm. Similar torsional distortions are observed in twisted WS2, CrI3, and WSe2/MoSe2.
Groundwater depletion in California’s Central Valley accelerates during megadrought
Authors: Liu Pang-Wei , Famiglietti James S. , Purdy Adam J. , Adams Kyra H. , McEvoy Avery L. , Reager John T. , Bindlish Rajat , Wiese David N. , David Cédric H. , Rodell Matthew 
Published: December 2022

AbstractGroundwater provides nearly half of irrigation water supply, and it enables resilience during drought, but in many regions of the world, it remains poorly, if at all managed. In heavily agricultural regions like California’s Central Valley, where groundwater management is being slowly implemented over a 27-year period that began in 2015, groundwater provides two–thirds or more of irrigation water during drought, which has led to falling water tables, drying wells, subsiding land, and its long-term disappearance. Here we use nearly two decades of observations from NASA’s GRACE satellite missions and show that the rate of groundwater depletion in the Central Valley has been accelerating since 2003 (1.86 km3/yr, 1961–2021; 2.41 km3/yr, 2003–2021; 8.58 km3/yr, 2019–2021), a period of megadrought in southwestern North America. Results suggest the need for expedited implementation of groundwater management in the Central Valley to ensure its availability during the increasingly intense droughts of the future.
Constructing high-efficiency orange-red thermally activated delayed fluorescence emitters by three-dimension molecular engineering
Authors: Hua Lei , Liu Yuchao , Liu Binbin , Zhao Zhennan , Zhang Lei , Yan Shouke , Ren Zhongjie 
Published: December 2022

AbstractPreparing high-efficiency solution-processable orange-red thermally activated delayed fluorescence (TADF) emitters remains challenging. Herein, we design a series of emitters consisting of trinaphtho[3,3,3]propellane (TNP) core derivatized with different TADF units. Benefiting from the unique hexagonal stacking architecture of TNPs, TADF units are thus kept in the cavities between two TNPs, which decrease concentration quenching and annihilation of long-lived triplet excitons. According to the molecular engineering of TADF and host units, the excited states can further be regulated to effectively enhance spin-orbit coupling (SOC) processes. We observe a high-efficiency orange-red emission at 604 nm in one instance with high SOC value of 0.862 cm−1and high photoluminescence quantum yield of 70.9%. Solution-processable organic light-emitting diodes exhibit a maximum external quantum efficiency of 24.74%. This study provides a universal strategy for designing high-performance TADF emitters through molecular packing and excited state regulation.
Genomic heterogeneity in pancreatic cancer organoids and its stability with culture
Authors: Usman Olalekan H. , Zhang Liting , Xie Gengqiang , Kocher Hemant M. , Hwang Chang-il , Wang Yue Julia , Mallory Xian , Irianto Jerome 
Published: December 2022

AbstractThe establishment of patient-derived pancreatic cancer organoid culture in recent years creates an exciting opportunity for researchers to perform a wide range of in vitro studies on a model that closely recapitulates the tumor. One of the outstanding question in pancreatic cancer biology is the causes and consequences of genomic heterogeneity observed in the disease. However, to use pancreatic cancer organoids as a model to study genomic variations, we need to first understand the degree of genomic heterogeneity and its stability within organoids. Here, we used single-cell whole-genome sequencing to investigate the genomic heterogeneity of two independent pancreatic cancer organoid lines, as well as their genomic stability with extended culture. Clonal populations with similar copy number profiles were observed within the organoids, and the proportion of these clones was shifted with extended culture, suggesting the growth advantage of some clones. However, sub-clonal genomic heterogeneity was also observed within each clonal population, indicating the genomic instability of the pancreatic cancer cells themselves. Furthermore, our transcriptomic analysis also revealed a positive correlation between copy number alterations and gene expression regulation, suggesting the “gene dosage” effect of these copy number alterations that translates to gene expression regulation.
Quantum-enhanced Doppler lidar
Authors: Reichert Maximilian , Di Candia Roberto , Win Moe Z. , Sanz Mikel 
Published: December 2022

AbstractWe propose a quantum-enhanced lidar system to estimate a target’s radial velocity, which employs squeezed and frequency-entangled signal and idler beams. We compare its performance against a classical protocol using a coherent state with the same pulse duration and energy, showing that quantum resources provide a precision enhancement in the estimation of the velocity of the object. We identify three distinct parameter regimes characterized by the amount of squeezing and frequency entanglement. In two of them, a quantum advantage exceeding the standard quantum limit is achieved assuming no photon losses. Additionally, we show that an optimal measurement to attain these results in the lossless case is frequency-resolved photon counting. Finally, we consider the effect of photon losses for the high-squeezing regime, which leads to a constant factor quantum advantage higher than 3 dB in the variance of the estimator, given a roundtrip lidar-to-target-to-lidar transmissivity larger than 50%.
Majorana modes with side features in magnet-superconductor hybrid systems
Authors: Crawford Daniel , Mascot Eric , Shimizu Makoto , Beck Philip , Wiebe Jens , Wiesendanger Roland , Jeschke Harald O. , Morr Dirk K. , Rachel Stephan 
Published: December 2022

AbstractMagnet-superconductor hybrid (MSH) systems represent promising platforms to host Majorana zero modes (MZMs), the elemental building blocks for fault-tolerant quantum computers. Theoretical description of such MSH structures is mostly based on simplified models, not accounting for the complexity of real materials. Here, based on density functional theory, we derive a superconducting 80-band model to study an MSH system consisting of a magnetic manganese chain on the s wave superconductor niobium. For a wide range of values of the superconducting order parameter, the system is a topological superconductor, with MZMs exhibiting non-universal spatial patterns and a drastic accumulation of spectral weight on both sides along the magnetic chain. These side feature states can be explained by an effective model which is guided by the ab initio results. Performing scanning tunneling spectroscopy experiments on the same system, we observe a spatial structure in the low-energy local density of states that is consistent with the theoretical findings. Our results open a first-principle approach to the discovery of topological superconductors.
Oxygen isotope evidence from Ryugu samples for early water delivery to Earth by CI chondrites
Authors: Greenwood Richard C. , Franchi Ian A. , Findlay Ross , Malley James A. , Ito Motoo , Yamaguchi Akira , Kimura Makoto , Tomioka Naotaka , Uesugi Masayuki , Imae Naoya , Shirai Naoki , Ohigashi Takuji , Liu Ming-Chang , McCain Kaitlyn A. , Matsuda Nozomi , McKeegan Kevin D. , Uesugi Kentaro , Nakato Aiko , Yogata Kasumi , Yuzawa Hayato , Kodama Yu , Tsuchiyama Akira , Yasutake Masahiro , Hirahara Kaori , Tekeuchi Akihisa , Sekimoto Shun , Sakurai Ikuya , Okada Ikuo , Karouji Yuzuru , Nakazawa Satoru , Okada Tatsuaki , Saiki Takanao , Tanaka Satoshi , Terui Fuyuto , Yoshikawa Makoto , Miyazaki Akiko , Nishimura Masahiro , Yada Toru , Abe Masanao , Usui Tomohiro , Watanabe Sei-ichiro , Tsuda Yuichi 
Published: December 2022

AbstractThe delivery of water to the inner Solar System, including Earth, is still a debated topic. A preferential role for hydrated asteroids in this process is supported by isotopic measurements. Carbonaceous chondrite (CC) meteorites represent our main source of information about these volatile-rich asteroids. However, the destruction of weaker materials during atmospheric entry creates a bias in our CC data. The return of surface materials from the C-type asteroid 162173 Ryugu by the Hayabusa2 spacecraft provides a unique opportunity to study high-porosity, low-density, primitive materials, unrepresented in the meteorite record. We measured the bulk oxygen isotope composition from four Ryugu particles and show that they most closely resemble the rare CI (CC Ivuna-type) chondrites, but with some differences that we attribute to the terrestrial contamination of the CI meteorites. We suggest that CI-related material is widespread among carbonaceous asteroids and a more important source of Earth’s water and other volatiles than its limited presence in our meteoritic collection indicates.
Quantitative tissue perfusion imaging using nonlinear ultrasound localization microscopy
Authors: Harmon Jennifer N. , Khaing Zin Z. , Hyde Jeffrey E. , Hofstetter Christoph P. , Tremblay-Darveau Charles , Bruce Matthew F. 
Published: December 2022

AbstractUltrasound localization microscopy (ULM) is a recent advancement in ultrasound imaging that uses microbubble contrast agents to yield vascular images that break the classical diffraction limit on spatial resolution. Current approaches cannot image blood flow at the tissue perfusion level since they rely solely on differences in velocity to separate tissue and microbubble signals; lower velocity microbubble echoes are removed during high pass wall filtering. To visualize blood flow in the entire vascular tree, we have developed nonlinear ULM, which combines nonlinear pulsing sequences with plane-wave imaging to segment microbubble signals independent of their velocity. Bubble localization and inter-frame tracking produces super-resolved images and, with parameters derived from the bubble tracks, a rich quantitative feature set that can describe the relative quality of microcirculatory flow. Using the rat spinal cord as a model system, we showed that nonlinear ULM better resolves some smaller branching vasculature compared to conventional ULM. Following contusion injury, both gold-standard histological techniques and nonlinear ULM depicted reduced in-plane vessel length between the penumbra and contralateral gray matter (−16.7% vs. −20.5%, respectively). Here, we demonstrate that nonlinear ULM uniquely enables investigation and potential quantification of tissue perfusion, arguably the most important component of blood flow.
Meta-analytic evidence for a sex-diverging association between alcohol use and body mass index
Authors: Siegmann Eva-Maria , Mazza Massimiliano , Weinland Christian , Kiefer Falk , Kornhuber Johannes , Mühle Christiane , Lenz Bernd 
Published: December 2022

AbstractAlcohol use is an important health issue and has been suggested to contribute to the burden produced by obesity. Both alcohol use and obesity are subject to sex differences. The available studies on the relationship between alcohol use and body mass index (BMI) report inconsistent results with positive, negative, and null findings which requests a meta-analytic approach. Therefore, we conducted a meta-analysis of case–control, cohort, and cross-sectional studies. The systematic literature search and data extraction was performed by 3 independent raters. We conducted sex-separated meta-analyses and -regressions to investigate how alcohol consumption associates with BMI. Our systematic literature search resulted in 36 studies with 48 data sets (Nmen = 172,254; kmen = 30; Nwomen = 24,164; kwomen = 18; Nunknown sex = 672,344; kunknown sex = 24). Alcohol use was associated with higher BMI in men (g = 0.08 [0.07; 0.09]) and lower BMI in women (g = − 0.26 [− 0.29; − 0.22]). Moreover, we found the amount of daily alcohol intake in men (β = 0.001 [0.0008; 0.0014]) and ethnicity in women (g[Caucasians] = − 0.45 versus g[Asians] = − 0.05; z = 11.5, p < 0.0001) to moderate these effects. We here identified sex-diverging relationships between alcohol use and BMI, found daily alcohol intake and ethnicity to sex-specifically moderate these effects, and argue that sex-specific choice of beverage type and higher amount of daily alcohol use in men than in women account for these observations. Future research is needed to provide empirical evidence for the underlying mechanisms.
Toxicity of extracellular alpha-synuclein is independent of intracellular alpha-synuclein
Authors: Dening Yanina , Straßl Theresa , Ruf Viktoria , Dirscherl Petra , Chovsepian Alexandra , Stievenard Alicia , Khairnar Amit , Schmidt Felix , Giesert Florian , Herms Jochen , Levin Johannes , Dieterich Marianne , Falkai Peter , Weisenhorn Daniela Vogt , Wurst Wolfgang , Giese Armin , Pan-Montojo Francisco 
Published: December 2022

AbstractParkinson´s disease (PD) pathology progresses throughout the nervous system. Whereas motor symptoms are always present, there is a high variability in the prevalence of non-motor symptoms. It has been postulated that the progression of the pathology is based on a prion-like disease mechanism partly due to the seeding effect of endocytosed-alpha-synuclein (ASYN) on the endogenous ASYN. Here, we analyzed the role of endogenous ASYN in the progression of PD-like pathology in vivo and in vitro and compared the effect of endocytosed-ASYN as well as paraquat and rotenone on primary enteric, dopaminergic and cortical neurons from wild-type and ASYN-KO mice. Our results show that, in vivo, pathology progression did not occur in the absence of endogenous ASYN. Remarkably, the damage caused by endocytosed-ASYN, rotenone or paraquat was independent from endogenous ASYN and related to the alteration of the host´s mitochondrial membrane potential. Dopaminergic neurons were very sensitive to these noxae compared to other neuronal subtypes. These results suggest that ASYN-mitochondrial interactions play a major role in initiating the pathological process in the host neuron and endogenous ASYN is essential for the transsynaptical transmission of the pathology. Our results also suggest that protecting mitochondrial function is a valid primary therapeutic target.
Cardiovascular predictors of mortality and exacerbations in patients with COPD
Authors: Alter Peter , Lucke Tanja , Watz Henrik , Andreas Stefan , Kahnert Kathrin , Trudzinski Franziska C. , Speicher Tim , Söhler Sandra , Bals Robert , Waschki Benjamin , Welte Tobias , Rabe Klaus F. , Vestbo Jørgen , Wouters Emiel F. M. , Vogelmeier Claus F. , Jörres Rudolf A. 
Published: December 2022

AbstractIn chronic obstructive pulmonary disease (COPD), comorbidities and worse functional status predict worse outcomes, but how these predictors compare with regard to different outcomes is not well studied. We thus compared the role of cardiovascular comorbidities for mortality and exacerbations. Data from baseline and up to four follow-up visits of the COSYCONET cohort were used. Cox or Poisson regression was employed to determine the relationship of predictors to mortality or mean annual exacerbation rate, respectively. Predictors comprised major comorbidities (including cardiovascular disease), lung function (forced expiratory volume in 1 s [FEV1], diffusion capacity for carbon monoxide [TLCO]) and their changes over time, baseline symptoms, exacerbations, physical activity, and cardiovascular medication. Overall, 1817 patients were included. Chronic coronary artery disease (p = 0.005), hypertension (p = 0.044) and the annual decline in TLCO (p = 0.001), but not FEV1 decline, were predictors of mortality. In contrast, the annual decline of FEV1 (p = 0.019) but not that of TLCO or cardiovascular comorbidities were linked to annual exacerbation rate. In conclusion, the presence of chronic coronary artery disease and hypertension were predictors of increased mortality in COPD, but not of increased exacerbation risk. This emphasizes the need for broad diagnostic workup in COPD, including the assessment of cardiovascular comorbidity.Clinical Trials: NCT01245933.
A bacterial virulence factor interacts with the splicing factor RBM5 and stimulates formation of nuclear RBM5 granules
Authors: Pourpre Renaud , Lakisic Goran , Desgranges Emma , Cossart Pascale , Pagliuso Alessandro , Bierne Hélène 
Published: December 2022

AbstractL. monocytogenes causes listeriosis, a foodborne disease that is particularly dangerous for immunocompromised individuals and fetuses. Several virulence factors of this bacterial pathogen belong to a family of leucine-rich repeat (LRR)-containing proteins called internalins. Among these, InlP is known for its role in placental infection. We report here a function of InlP in mammalian cell nucleus organization. We demonstrate that bacteria do not produce InlP under in vitro culture conditions. When ectopically expressed in human cells, InlP translocates into the nucleus and changes the morphology of nuclear speckles, which are membrane-less organelles storing splicing factors. Using yeast two-hybrid screen, immunoprecipitation and pull-down experiments, we identify the tumor suppressor and splicing factor RBM5 as a major nuclear target of InlP. InlP inhibits RBM5-induced cell death and stimulate the formation of RBM5-induced nuclear granules, where the SC35 speckle protein redistributes. Taken together, these results suggest that InlP acts as a nucleomodulin controlling compartmentalization and function of RBM5 in the nucleus and that L. monocytogenes has developed a mechanism to target the host cell splicing machinery.
In vitro characterization of immune modulating drug-eluting immunobeads towards transarterial embolization in cancer
Authors: Negussie Ayele H. , Mikhail Andrew S. , Owen Joshua W. , Hong Natalie , Carlson Camella J. , Tang Yiqing , Carrow Kendal Paige , Mauda-Havakuk Michal , Lewis Andrew L. , Karanian John W. , Pritchard William F. , Wood Bradford J. 
Published: December 2022

AbstractHepatocellular carcinoma (HCC) is an aggressive liver cancer with limited effective treatment options. In this study, we selected TLR agonists imiquimod (IMQ), gardiquimod (GARD), GS-9620 and DSR 6434, and a small molecule checkpoint inhibitor, BMS-202, for characterization of drug loading and release from radiopaque embolic beads (DC Bead LUMI) for potential use in image-guided transarterial embolization (TACE) of HCC. The maximum drug loading capacity and amount of drug released over time were determined by high performance liquid chromatography and compared with the commonly used anthracycline, doxorubicin hydrochloride (Dox). Maximum drug loading was 204.54 ± 3.87, 65.97 ± 1.54, 65.95 ± 6.96, 65.28 ± 3.09, and 148.05 ± 2.24 mg of drug per milliliter of DC Bead LUMI for Dox, GARD, DSR 6434, IMQ, and BMS-202, respectively. Fast loading and subsequent rapid release in saline were observed for IMQ, GARD, and DSR 6434. These drugs could also be partially removed from the beads by repeated washing with de-ionized water suggesting weak interaction with the beads. Aggregation of IMQ was observed in water and saline. GS-9620 partially decomposed in the solubilizing solution, so loading and release were not characterized. Compared to TLR agonists, slower loading and release were observed for Dox and BMS-202. Potential factors influencing drug loading into and release from DC Bead LUMI including steric hinderance, hydrophobicity, drug pKa, and the electrostatic nature of the beads are discussed. The maximum loading capacity of BMS-202 and Dox in DC Bead LUMI exceeded the maximum theoretical loading capacity of the beads expected from ionic interaction alone suggesting additional drug-bead or drug-drug interactions may play a role. Slightly more release was observed for BMS-202 at early time points followed by a slower release compared to Dox. Further study of these drug-bead combinations is warranted in search of new tools for locoregional delivery of immune-modulating agents for treatment of HCC via drug-eluting bead chemoembolization.