bluuebunny/crossref_metadata_2025_split huggingface dataset:
Control of motor landing and processivity by the CAP-Gly domain in the KIF13B tail
Authors: Fan Xiangyu , McKenney Richard J. 
Published: August 2023

AbstractMicrotubules are major components of the eukaryotic cytoskeleton. Posttranslational modifications (PTMs) of tubulin regulates interactions with microtubule-associated proteins (MAPs). One unique PTM is the cyclical removal and re-addition of the C-terminal tyrosine of α-tubulin and MAPs containing CAP-Gly domains specifically recognize tyrosinated microtubules. KIF13B, a long-distance transport kinesin, contains a conserved CAP-Gly domain, but the role of the CAP-Gly domain in KIF13B’s motility along microtubules remains unknown. To address this, we investigate the interaction between KIF13B’s CAP-Gly domain, and tyrosinated microtubules. We find that KIF13B’s CAP-Gly domain influences the initial motor-microtubule interaction, as well as processive motility along microtubules. The effect of the CAP-Gly domain is enhanced when the motor domain is in the ADP state, suggesting an interplay between the N-terminal motor domain and C-terminal CAP-Gly domain. These results reveal that specialized kinesin tail domains play active roles in the initiation and continuation of motor movement.
BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B12 uptake in gut Bacteroides
Authors: Abellon-Ruiz Javier , Jana Kalyanashis , Silale Augustinas , Frey Andrew M. , Baslé Arnaud , Trost Matthias , Kleinekathöfer Ulrich , van den Berg Bert 
Published: August 2023

AbstractVitamin B12 (cobalamin) is required for most human gut microbes, many of which are dependent on scavenging to obtain this vitamin. Since bacterial densities in the gut are extremely high, competition for this keystone micronutrient is severe. Contrasting with Enterobacteria, members of the dominant genus Bacteroides often encode several BtuB vitamin B12 outer membrane transporters together with a conserved array of surface-exposed B12-binding lipoproteins. Here we show that the BtuB transporters from Bacteroides thetaiotaomicron form stable, pedal bin-like complexes with surface-exposed BtuG lipoprotein lids, which bind B12 with high affinities. Closing of the BtuG lid following B12 capture causes destabilisation of the bound B12 by a conserved BtuB extracellular loop, causing translocation of the vitamin to BtuB and subsequent transport. We propose that TonB-dependent, lipoprotein-assisted small molecule uptake is a general feature of Bacteroides spp. that is important for the success of this genus in colonising the human gut.
Neural manifolds for odor-driven innate and acquired appetitive preferences
Authors: Chandak Rishabh , Raman Baranidharan 
Published: August 2023

AbstractSensory stimuli evoke spiking neural responses that innately or after learning drive suitable behavioral outputs. How are these spiking activities intrinsically patterned to encode for innate preferences, and could the neural response organization impose constraints on learning? We examined this issue in the locust olfactory system. Using a diverse odor panel, we found that ensemble activities both during (‘ON response’) and after stimulus presentations (‘OFF response’) could be linearly mapped onto overall appetitive preference indices. Although diverse, ON and OFF response patterns generated by innately appetitive odorants (higher palp-opening responses) were still limited to a low-dimensional subspace (a ‘neural manifold’). Similarly, innately non-appetitive odorants evoked responses that were separable yet confined to another neural manifold. Notably, only odorants that evoked neural response excursions in the appetitive manifold could be associated with gustatory reward. In sum, these results provide insights into how encoding for innate preferences can also impact associative learning.
Bilateral human laryngeal motor cortex in perceptual decision of lexical tone and voicing of consonant
Authors: Liang Baishen , Li Yanchang , Zhao Wanying , Du Yi 
Published: August 2023

AbstractSpeech perception is believed to recruit the left motor cortex. However, the exact role of the laryngeal subregion and its right counterpart in speech perception, as well as their temporal patterns of involvement remain unclear. To address these questions, we conducted a hypothesis-driven study, utilizing transcranial magnetic stimulation on the left or right dorsal laryngeal motor cortex (dLMC) when participants performed perceptual decision on Mandarin lexical tone or consonant (voicing contrast) presented with or without noise. We used psychometric function and hierarchical drift-diffusion model to disentangle perceptual sensitivity and dynamic decision-making parameters. Results showed that bilateral dLMCs were engaged with effector specificity, and this engagement was left-lateralized with right upregulation in noise. Furthermore, the dLMC contributed to various decision stages depending on the hemisphere and task difficulty. These findings substantially advance our understanding of the hemispherical lateralization and temporal dynamics of bilateral dLMC in sensorimotor integration during speech perceptual decision-making.
A common neuronal ensemble in nucleus accumbens regulates pain-like behaviour and sleep
Authors: Sun Haiyan , Li Zhilin , Qiu Zhentong , Shen Yu , Guo Qingchen , Hu Su-Wan , Ding Hai-Lei , An Shuming , Cao Jun-Li 
Published: August 2023

AbstractA comorbidity of chronic pain is sleep disturbance. Here, we identify a dual-functional ensemble that regulates both pain-like behaviour induced by chronic constrictive injury or complete Freund’s adjuvant, and sleep wakefulness, in the nucleus accumbens (NAc) in mice. Specifically, a select population of NAc neurons exhibits increased activity either upon nociceptive stimulation or during wakefulness. Experimental activation of the ensemble neurons exacerbates pain-like (nociceptive) responses and reduces NREM sleep, while inactivation of these neurons produces the opposite effects. Furthermore, NAc ensemble primarily consists of D1 neurons and projects divergently to the ventral tegmental area (VTA) and preoptic area (POA). Silencing an ensemble innervating VTA neurons selectively increases nociceptive responses without affecting sleep, whereas inhibiting ensemble-innervating POA neurons decreases NREM sleep without affecting nociception. These results suggest a common NAc ensemble that encodes chronic pain and controls sleep, and achieves the modality specificity through its divergent downstream circuit targets.
Holocene climate change in southern Oman deciphered by speleothem records and climate model simulations
Authors: Tian Ye , Fleitmann Dominik , Zhang Qiong , Sha Lijuan , Wassenburg Jasper. A. , Axelsson Josefine , Zhang Haiwei , Li Xianglei , Hu Jun , Li Hanying , Zhao Liang , Cai Yanjun , Ning Youfeng , Cheng Hai 
Published: August 2023

AbstractQunf Cave oxygen isotope (δ18Oc) record from southern Oman is one of the most significant of few Holocene Indian summer monsoon cave records. However, the interpretation of the Qunf δ18Oc remains in dispute. Here we provide a multi-proxy record from Qunf Cave and climate model simulations to reconstruct the Holocene local and regional hydroclimate changes. The results indicate that besides the Indian summer monsoon, the North African summer monsoon also contributes water vapor to southern Oman during the early to middle Holocene. In principle, Qunf δ18Oc values reflect integrated oxygen-isotope fractionations over a broad moisture transport swath from moisture sources to the cave site, rather than local precipitation amount alone, and thus the Qunf δ18Oc record characterizes primary changes in the Afro-Asian monsoon regime across the Holocene. In contrast, local climate proxies appear to suggest an overall slightly increased or unchanged wetness over the Holocene at the cave site.
Hydrogenation versus hydrogenolysis during alkaline electrochemical valorization of 5-hydroxymethylfurfural over oxide-derived Cu-bimetallics
Authors: Hauke Philipp , Merzdorf Thomas , Klingenhof Malte , Strasser Peter 
Published: August 2023

AbstractThe electrochemical conversion of 5-Hydroxymethylfurfural, especially its reduction, is an attractive green production pathway for carbonaceous e-chemicals. We demonstrate the reduction of 5-Hydroxymethylfurfural to 5-Methylfurfurylalcohol under strongly alkaline reaction environments over oxide-derived Cu bimetallic electrocatalysts. We investigate whether and how the surface catalysis of the MOx phases tune the catalytic selectivity of oxide-derived Cu with respect to the 2-electron hydrogenation to 2.5-Bishydroxymethylfuran and the (2 + 2)-electron hydrogenation/hydrogenolysis to 5-Methylfurfurylalcohol. We provide evidence for a kinetic competition between the evolution of H2 and the 2-electron hydrogenolysis of 2.5-Bishydroxymethylfuran to 5-Methylfurfurylalcohol and discuss its mechanistic implications. Finally, we demonstrate that the ability to conduct 5-Hydroxymethylfurfural reduction to 5-Methylfurfurylalcohol in alkaline conditions over oxide-derived Cu/MOx Cu foam electrodes enable an efficiently operating alkaline exchange membranes electrolyzer, in which the cathodic 5-Hydroxymethylfurfural valorization is coupled to either alkaline oxygen evolution anode or to oxidative 5-Hydroxymethylfurfural valorization.
Prussian blue analog with separated active sites to catalyze water driven enhanced catalytic treatments
Authors: Wang Liu-Chun , Chiou Pei-Yu , Hsu Ya-Ping , Lee Chin-Lai , Hung Chih-Hsuan , Wu Yi-Hsuan , Wang Wen-Jyun , Hsieh Gia-Ling , Chen Ying-Chi , Chang Li-Chan , Su Wen-Pin , Manoharan Divinah , Liao Min-Chiao , Thangudu Suresh , Li Wei-Peng , Su Chia-Hao , Tian Hong-Kang , Yeh Chen-Sheng 
Published: August 2023

AbstractChemodynamic therapy (CDT) uses the Fenton or Fenton-like reaction to yield toxic ‧OH following H2O2 → ‧OH for tumoral therapy. Unfortunately, H2O2 is often taken from the limited endogenous supply of H2O2 in cancer cells. A water oxidation CoFe Prussian blue (CFPB) nanoframes is presented to provide sustained, external energy-free self-supply of ‧OH from H2O to process CDT and/or photothermal therapy (PTT). Unexpectedly, the as-prepared CFPB nanocubes with no near-infrared (NIR) absorption is transformed into CFPB nanoframes with NIR absorption due to the increased Fe3+-N ≡ C-Fe2+ composition through the proposed proton-induced metal replacement reactions. Surprisingly, both the CFPB nanocubes and nanoframes provide for the self-supply of O2, H2O2, and ‧OH from H2O, with the nanoframe outperforming in the production of ‧OH. Simulation analysis indicates separated active sites in catalyzation of water oxidation, oxygen reduction, and Fenton-like reactions from CFPB. The liposome-covered CFPB nanoframes prepared for controllable water-driven CDT for male tumoral mice treatments.
Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi
Authors: Ren Wuyang , Xue Wenhua , Guo Shuping , He Ran , Deng Liangzi , Song Shaowei , Sotnikov Andrei , Nielsch Kornelius , van den Brink Jeroen , Gao Guanhui , Chen Shuo , Han Yimo , Wu Jiang , Chu Ching-Wu , Wang Zhiming , Wang Yumei , Ren Zhifeng 
Published: August 2023

AbstractStudies of vacancy-mediated anomalous transport properties have flourished in diverse fields since these properties endow solid materials with fascinating photoelectric, ferroelectric, and spin-electric behaviors. Although phononic and electronic transport underpin the physical origin of thermoelectrics, vacancy has only played a stereotyped role as a scattering center. Here we reveal the multifunctionality of vacancy in tailoring the transport properties of an emerging thermoelectric material, defective n-type ZrNiBi. The phonon kinetic process is mediated in both propagating velocity and relaxation time: vacancy-induced local soft bonds lower the phonon velocity while acoustic-optical phonon coupling, anisotropic vibrations, and point-defect scattering induced by vacancy shorten the relaxation time. Consequently, defective ZrNiBi exhibits the lowest lattice thermal conductivity among the half-Heusler family. In addition, a vacancy-induced flat band features prominently in its electronic band structure, which is not only desirable for electron-sufficient thermoelectric materials but also interesting for driving other novel physical phenomena. Finally, better thermoelectric performance is established in a ZrNiBi-based compound. Our findings not only demonstrate a promising thermoelectric material but also promote the fascinating vacancy-mediated anomalous transport properties for multidisciplinary explorations.
Molecular basis of Mg2+ permeation through the human mitochondrial Mrs2 channel
Authors: Li Ming , Li Yang , Lu Yue , Li Jianhui , Lu Xuhang , Ren Yue , Wen Tianlei , Wang Yaojie , Chang Shenghai , Zhang Xing , Yang Xue , Shen Yuequan 
Published: August 2023

AbstractMitochondrial RNA splicing 2 (Mrs2), a eukaryotic CorA ortholog, enables Mg2+ to permeate the inner mitochondrial membrane and plays an important role in mitochondrial metabolic function. However, the mechanism by which Mrs2 permeates Mg2+ remains unclear. Here, we report four cryo-electron microscopy (cryo-EM) reconstructions of Homo sapiens Mrs2 (hMrs2) under various conditions. All of these hMrs2 structures form symmetrical pentamers with very similar pentamer and protomer conformations. A special structural feature of Cl−-bound R-ring, which consists of five Arg332 residues, was found in the hMrs2 structure. Molecular dynamics simulations and mitochondrial Mg2+ uptake assays show that the R-ring may function as a charge repulsion barrier, and Cl− may function as a ferry to jointly gate Mg2+ permeation in hMrs2. In addition, the membrane potential is likely to be the driving force for Mg2+ permeation. Our results provide insights into the channel assembly and Mg2+ permeation of hMrs2.
CBD-oil as a potential solution in case of severe tamoxifen-related side effects
Authors: Buijs Sanne M. , Braal C. Louwrens , Buck Stefan A. J. , van Maanen Noud F. , van der Meijden-Erkelens Lonneke M. , Kuijper-Tissot van Patot Heleen A. , Hoop Esther Oomen-de , Saes Lotte , van den Boogerd Sophia J. , Struik Liesbeth E. M. , van Rossum-Schornagel Quirine C. , Mathijssen Ron H. J. , Koolen Stijn L. W. , Jager Agnes 
Published: August 2023

AbstractTamoxifen may lead to bothersome side effects contributing to non-compliance and decreased quality of life. Patients searching for relief are increasingly turning to cannabinoids such as CBD-oil. However, CBD-oil might affect tamoxifen pharmacokinetics (PK) through CYP2D6 inhibition. The aims of this open-label, single-arm study were (1) to determine the PK profile of tamoxifen when using CBD-oil, and (2) to subsequently investigate whether CBD-oil has a beneficial influence on side effects. Study patients had to have steady-state endoxifen concentrations ≥16 nM (conservative threshold). PK sampling and side effect assessment was done at initiation of CBD-oil and 28 days thereafter. Bio-equivalence could be concluded if the 90% confidence interval (CI) for the difference in endoxifen AUC fell within the [−20%; +25%] interval. The effect of CBD-oil on side effects was evaluated using the FACT-ES questionnaire. Endoxifen AUC decreased after CBD-oil by 12.6% (n = 15, 90% CI −18.7%, −6.1%) but remained within bio-equivalence boundaries. The endocrine sub-scale of the FACT-ES improved clinically relevant with 6.7 points (n = 26, p < 0.001) and health-related quality of life improved with 4.7 points after using CBD (95% CI + 1.8, +7.6). We conclude that CBD-oil, if of good quality and with a dosage below 50 mg, does not have to be discouraged in patients using it for tamoxifen-related side effects. Clinical trial registration: International Clinical Trial Registry Platform (NL8786; https://www.who.int/clinical-trials-registry-platform).
Combining the AKT inhibitor capivasertib and SERD fulvestrant is effective in palbociclib-resistant ER+ breast cancer preclinical models
Authors: Hopcroft Lorna , Wigmore Eleanor M. , Williamson Stuart C. , Ros Susana , Eberlein Cath , Moss Jennifer I. , Urosevic Jelena , Carnevalli Larissa S. , Talbot Sara , Bradshaw Lauren , Blaker Catherine , Gunda Sreeharsha , Owenson Venetia , Hoffmann Scott , Sutton Daniel , Jones Stewart , Goodwin Richard J. A. , Willis Brandon S. , Rooney Claire , de Bruin Elza C. , Barry Simon T. 
Published: August 2023

AbstractCombining the selective AKT inhibitor, capivasertib, and SERD, fulvestrant improved PFS in a Phase III clinical trial (CAPItello-291), treating HR+ breast cancer patients following aromatase inhibitors, with or without CDK4/6 inhibitors. However, clinical data suggests CDK4/6 treatment may reduce response to subsequent monotherapy endocrine treatment. To support understanding of trials such as CAPItello-291 and gain insight into this emerging population of patients, we explored how CDK4/6 inhibitor treatment influences ER+ breast tumour cell function and response to fulvestrant and capivasertib after CDK4/6 inhibitor treatment. In RB+, RB− T47D and MCF7 palbociclib-resistant cells ER pathway ER and Greb-1 expression were reduced versus naïve cells. PI3K-AKT pathway activation was also modified in RB+ cells, with capivasertib less effective at reducing pS6 in RB+ cells compared to parental cells. Expression profiling of parental versus palbociclib-resistant cells confirmed capivasertib, fulvestrant and the combination differentially impacted gene expression modulation in resistant cells, with different responses seen in T47D and MCF7 cells. Fulvestrant inhibition of ER-dependent genes was reduced. In resistant cells, the combination was less effective at reducing cell cycle genes, but a consistent reduction in cell fraction in S-phase was observed in naïve and resistant cells. Despite modified signalling responses, both RB+ and RB− resistant cells responded to combination treatment despite some reduction in relative efficacy and was effective in vivo in palbociclib-resistant PDX models. Collectively these findings demonstrate that simultaneous inhibition of AKT and ER signalling can be effective in models representing palbociclib resistance despite changes in pathway dependency.
Creation of crystal structure reproducing X-ray diffraction pattern without using database
Authors: Lee Joohwi , Oba Junpei , Ohba Nobuko , Kajita Seiji 
Published: August 2023

AbstractWhen a sample’s X-ray diffraction pattern (XRD) is measured, the corresponding crystal structure is usually determined by searching for similar XRD patterns in the database. However, if a similar XRD pattern is not found, it is tremendously laborious to identify the crystal structure even for experts. This case commonly happens when researchers develop novel and complex materials. In this study, we propose a crystal structure creation scheme that reproduces a given XRD pattern. We employed a combinatorial inverse design method using an evolutionary algorithm and crystal morphing (Evolv&Morph) supported by Bayesian optimization, which maximizes the similarity of the XRD patterns between target one and those of the created crystal structures. For sixteen different crystal structure systems with twelve simulated and four powder target XRD patterns, Evolv&Morph successfully created crystal structures with the same XRD pattern as the target (cosine similarity 99% for the simulated ones and >96% the experimentally measured ones). Furthermore, the present method has merits in that it is an automated crystal structure creation scheme, not dependent on a database. We believe that Evolv&Morph can be applied not only to determine crystal structures but also to design materials for specific properties.
Hierarchical quantum circuit representations for neural architecture search
Authors: Lourens Matt , Sinayskiy Ilya , Park Daniel K. , Blank Carsten , Petruccione Francesco 
Published: August 2023

AbstractQuantum circuit algorithms often require architectural design choices analogous to those made in constructing neural and tensor networks. These tend to be hierarchical, modular and exhibit repeating patterns. Neural Architecture Search (NAS) attempts to automate neural network design through learning network architecture and achieves state-of-the-art performance. We propose a framework for representing quantum circuit architectures using techniques from NAS, which enables search space design and architecture search. We use this framework to justify the importance of circuit architecture in quantum machine learning by generating a family of Quantum Convolutional Neural Networks (QCNNs) and evaluating them on a music genre classification dataset, GTZAN. Furthermore, we employ a genetic algorithm to perform Quantum Phase Recognition (QPR) as an example of architecture search with our representation. Finally, we implement the framework as an open-source Python package to enable dynamic circuit creation and facilitate circuit search space design for NAS.
Hyperlocal environmental data with a mobile platform in urban environments
Authors: Wang An , Mora Simone , Machida Yuki , deSouza Priyanka , Paul Sanjana , Oyinlola Oluwatobi , Duarte Fábio , Ratti Carlo 
Published: August 2023

AbstractEnvironmental data with a high spatio-temporal resolution is vital in informing actions toward tackling urban sustainability challenges. Yet, access to hyperlocal environmental data sources is limited due to the lack of monitoring infrastructure, consistent data quality, and data availability to the public. This paper reports environmental data (PM, NO2, temperature, and relative humidity) collected from 2020 to 2022 and calibrated in four deployments in three global cities. Each data collection campaign targeted a specific urban environmental problem related to air quality, such as tree diversity, community exposure disparities, and excess fossil fuel usage. Firstly, we introduce the mobile platform design and its deployment in Boston (US), NYC (US), and Beirut (Lebanon). Secondly, we present the data cleaning and validation process, for the air quality data. Lastly, we explain the data format and how hyperlocal environmental datasets can be used standalone and with other data to assist evidence-based decision-making. Our mobile environmental sensing datasets include cities of varying scales, aiming to address data scarcity in developing regions and support evidence-based environmental policymaking.
Gene expression genetics of the striatum of Diversity Outbred mice
Authors: Philip Vivek M. , He Hao , Saul Michael C. , Dickson Price E. , Bubier Jason A. , Chesler Elissa J. 
Published: August 2023

AbstractBrain transcriptional variation is a heritable trait that mediates complex behaviors, including addiction. Expression quantitative trait locus (eQTL) mapping reveals genomic regions harboring genetic variants that influence transcript abundance. In this study, we profiled transcript abundance in the striatum of 386 Diversity Outbred (J:DO) mice of both sexes using RNA-Seq. All mice were characterized using a behavioral battery of widely-used exploratory and risk-taking assays prior to transcriptional profiling. We performed eQTL mapping, incorporated the results into a browser-based eQTL viewer, and deposited co-expression network members in GeneWeaver. The eQTL viewer allows researchers to query specific genes to obtain allelic effect plots, analyze SNP associations, assess gene expression correlations, and apply mediation analysis to evaluate whether the regulatory variant is acting through the expression of another gene. GeneWeaver allows multi-species comparison of gene sets using statistical and combinatorial tools. This data resource allows users to find genetic variants that regulate differentially expressed transcripts and place them in the context of other studies of striatal gene expression and function in addiction-related behavior.