Miracle-dz/UniFAR-FTUs huggingface dataset:
Theoretical Investigation of the Electronic Structure and Magnetic Properties of Oxo-Bridged Uranyl(V) Dinuclear and Trinuclear Complexes.

The uranyl(V) complexes [UO2(dbm)2K(18C6)]2 (dbm = dibenzoylmethanate) and [UO2(L)]3(L = 2-(4-tolyl)-1,3-bis(quinolyl)malondiiminate), exhibiting diamond-shaped U2O2 and triangular-shaped U3O3 cores respectively with 5f1-5f1 and 5f1-5f1-5f1 configurations, have been investigated using relativistic density functional theory (DFT). The bond order and QTAIM analyses reveal that the covalent contribution to the bonding within the oxo cores is slightly more important for U3O3 than for U2O2, in line with the shorter U-O distances existing in the trinuclear complex in comparison to those in the binuclear complex. Using the broken symmetry (BS) approach combined with the B3LYP functional for the calculation of the magnetic exchange coupling constants (J) between the magnetic centers, the antiferromagnetic (AF) character of these complexes was confirmed, the estimated J values being respectively equal to -24.1 and -7.2 cm-1 for the dioxo and trioxo species. It was found that the magnetic exchange is more sensitive to small variations of the core geometry of the dioxo species in comparison to the trioxo species. Although the robust AF exchange coupling within the UxOx cores is generally maintained when small variations of the UOU angle are applied, a weak ferromagnetic character appears in the dioxo species when this angle is higher than 114°, its value for the actual structure being equal to 105.9°. The electronic factors driving the magnetic coupling are discussed.
Mikrobiom & NASH – enge Komplizen in der Progression von Fettlebererkrankungen

Zusammenfassung Einhergehend mit der steigenden Prävalenz von Übergewicht, metabolischem Syndrom und Typ-2-Diabetes nehmen nicht-alkoholische Fettlebererkrankungen (NAFLD) stark zu und stellen eine große Herausforderung in der Gastroenterologie dar. Viele Studien konnten nachweisen, dass das Mikrobiom in einem engen Zusammenhang mit der Progression von ernährungsbedingten Krankheitsbildern, insbesondere auch von Fettlebererkrankungen, steht. Veränderungen in der Quantität und Qualität der Darmflora, allgemein als Dysbiose bezeichnet, bedingen veränderte Metabolisierung von Nahrungsmitteln, erhöhte Permeabilität der Darmbarriere („leaky gut“) und konsekutiv Entzündungsprozesse in der Leber. Dies begünstigt sowohl das Fortschreiten von Adipositas und metabolischen Störungen als auch von NAFLD zur nicht-alkoholischen Steatohepatitis (NASH), hepatischen Fibrose, Leberzirrhose und hepatozellulärem Karzinom (HCC). Wichtige molekulare Mechanismen beinhalten mikrobielle Stoffwechselprodukte, mikrobielle und endogene Signalstoffe (sogenannte PAMPs/DAMPs) sowie Gallensäuren. Essenzielle zelluläre Mechanismen umfassen immunologische Zellen in Darm und Leber, insbesondere Makrophagen und Kupffer-Zellen, sowie Darmepithelzellen und Hepatozyten als zentrale Regulatoren des Stoffwechsels. In dieser Übersicht wollen wir anhand aktueller wissenschaftlicher Arbeiten und klinischer Studien kurz auf die relevanten Spezies des humanen Mikrobioms eingehen, die mikrobielle Analytik erläutern, die wichtigsten molekularen Zusammenhänge zwischen Mikrobiom und NAFLD/NASH erklären und schlussendlich Möglichkeiten der Mikrobiom-modulierenden Therapie zur Behandlung von Fettlebererkrankungen darlegen.
Associations of blood pressure categories defined by 2017 ACC/AHA guidelines with mortality in China: Pooled results from three prospective cohorts

Background The recent American College of Cardiology/American Heart Association guidelines for high blood pressure lowered the hypertension criteria from systolic/diastolic blood pressure (SBP/DBP) of 140/90 mmHg or greater to 130/80 mmHg or greater, while the potential impact of the change on Chinese adults remains unclear. Design A pooled prospective cohort analysis. Methods Included were 154,407 Chinese adults from three prospective cohorts, which measured blood pressure at baseline and follow-up visits, and tracked death events by linkages to medical insurance system or vital statistics registries. Cox regression models were used to estimate the hazard ratios (HRs) and 95% confidence intervals (CIs). Results During a total follow-up of 1,718,089 person-years, 14,692 deaths were documented including 5086 cardiovascular deaths (1277 ischaemic heart disease and 2509 cerebrovascular disease deaths). Compared to normal blood pressure (SBP/DBP < 120/80 mmHg), newly defined stage 1 hypertension (SBP/DBP 130–139/80–89 mmHg) was associated with increased cardiovascular mortality (HR 1.40, 95% CI 1.16–1.69; HR 1.36, 95% CI 1.12–1.65 for ischaemic heart disease mortality; HR 1.53, 95% CI 1.18–2.00 for cerebrovascular mortality), but not with all-cause mortality (HR 1.04, 95% CI 0.89–1.21). Stage 2 hypertension (SBP/DBP ≥ 140/90 mmHg) showed significant associations with cardiovascular disease and all-cause mortality, while elevated blood pressure (SBP 120–129 mmHg and DBP < 80 mmHg) showed null associations. The associations were stronger in adults younger than 65 years and adults without pre-existing cardiovascular disease compared with their counterparts (P for heterogeneity < 0.05). Conclusions The newly defined stage 1 hypertension is associated with an increased risk of cardiovascular disease mortality in the Chinese population, particularly among younger adults and those without a history of cardiovascular disease.
A cadaveric study quantifying the anatomical landmarks of the facial artery and its parapharyngeal branches for safe transoral surgery

Hemorrhage remains a major potential risk when performing any form of transoral surgery. This is the first study to focus on the location of the facial artery “bulb” (FaB) and its tonsillar branches within the parapharyngeal space (PPS) from the perspective of the transoral surgeon.
Dynamic modelling of the impact of public health education on the control of emerging infectious disease

Public health education, including mass and interpersonal communication, has been recognized as an effective control of infectious disease. Compared to the well-studied mass communication by dynamic modelling, not much mathematical study has been done on the effect of interpersonal communication. Here, we build a model, to study the overall impact of mass communication and interpersonal communication on disease spread and disease control during the transmission process. By analysing the dynamic behaviour of our model, we find two threshold parameters on which the disease persistence and extinction condition depend. We further prove that the endemic equilibrium, whenever existing, is locally asymptotically stable. Its global stability is also verified. And the impact of public health education on the behaviours of the model is considered by numerical simulation. Our study confirms the value of various education activities and shows that public health education may affect the epidemic threshold.
How to increase community-wide resilience and decrease inequalities due to adverse childhood experiences (ACEs): Strategies from Walla Walla, Washington

Abstract Adverse childhood experiences (ACEs) negatively impact community-level social problems, education, work, mental, and physical health beyond the effects of economic and political inequality. This paper summarizes the evidence that community-wide resilience moderates such impacts and examines how resilience can be increased by strategic interventions focused on community capacity building; Trauma-Informed Practices (TIPs) by staff in community organizations; and cultural change. Findings from three formative research evaluations in Walla Walla, Washington, show how community capacity was increased, trauma-informed practices were implemented across local organizations, and a school’s culture was transformed. Common elements of change were shifts in: mindsets, collaborative relationships, and organizational values/structures. These changes enabled the adoption of scaffolded, equity-based, innovative interventions that can potentially decrease economic and racial/ethnic disparities by preventing the progression of ACEs into adult adversities, poverty, and discrimination.
A Resonant Pressure Sensor Based upon Electrostatically Comb Driven and Piezoresistively Sensed Lateral Resonators

This study proposes a microfabricated resonant pressure sensor in which a pair of double-ended tuning forks were utilized as resonators where comb electrodes and single-crystal silicon-based piezoresistors were used for electrostatic excitation and piezoresistive detection, respectively. In operations, pressures under measurements deform the pressure-sensitive diaphragm to cause stress variations of two resonators distributed on the central and side positions of the pressure-sensitive diaphragm, where the corresponding changes of the intrinsic resonant frequencies are then captured piezoresistively. The developed resonant pressure sensors were fabricated based on MEMS with open-loop and closed-loop characterizations conducted. Key sensing parameters including quality factors, differential pressure/temperature sensitivities and fitting errors were quantified as higher than 17,000, 48.24 Hz/kPa, 0.15 Hz/°C and better than 0.01% F.S. (140 kpa), respectively. In comparison to previously reported resonant pressure sensors driven by parallel-plate electrodes, the developed sensor in this study is featured with a lower temperature sensitivity and a higher stability.
Mating Behavior and Reproductive Biology of Emerald Ash Borer (Coleoptera: Buprestidae) and Two of Its Native Congeners, the Twolined Chestnut Borer and the Bronze Birch Borer

Abstract We studied the mating behavior and reproductive biology of three members of the genus Agrilus: the bronze birch borer, Agrilus anxius Gory; the twolined chestnut borer, Agrilus bilineatus (Weber); and the emerald ash borer, Agrilus planipennis Fairmaire. All three species share a highly stereotyped mating behavior. However, the copulation duration of A. planipennis was 90% longer than that of its two congeners. Female reproductive tracts of the three species were anatomically similar, as were the spermatophores. Within the spermatophores, sperm were single in A. anxius and A. bilineatus, while in A. planipennis, sperm were bundled in groups of approximately 20 in a hyaline sheath. We found that field-caught A. anxius and A. bilineatus had higher rates of female insemination than A. planipennis. In additional studies with A. planipennis and A. anxius, we found that mating duration was related to mating success, and fecundity for A. planipennis, but not for A. anxius. For both A. planipennis and A. anxius, the spermatophore was passed to the female toward the end of the copulatory period. Sperm were found in the spermatheca immediately after copulation ended in A. planipennis and 30 min after copulation ended in A. anxius. We present possible explanations for these differences.
Preclinical Evaluation of Radiolabeled Peptides for PET Imaging of Glioblastoma Multiforme

In this study, we have compared four 68Ga-labeled peptides (three Arg-Gly-Asp (RGD) peptides and substance-P) with two 18F-tracers clinically approved for tumor imaging. We have studied in vitro and in vivo characteristics of selected radiolabeled tracers in a glioblastoma multiforme tumor model. The in vitro part of the study was mainly focused on the evaluation of radiotracers stability under various conditions. We have also determined in vivo stability of studied 68Ga-radiotracers by analysis of murine urine collected at various time points after injection. The in vivo behavior of tested 68Ga-peptides was evaluated through ex vivo biodistribution studies and PET/CT imaging. The obtained data were compared with clinically used 18F-tracers. 68Ga-RGD peptides showed better imaging properties compared to 18F-tracers, i.e., higher tumor/background ratios and no accumulation in non-target organs except for excretory organs.
Mesenchymal stromal cells confer chemoresistance to myeloid leukemia blasts through Side Population functionality and ABC transporter activation

Targeting chemoresistant malignant cells is one of the current major challenges in oncology. Therefore, it is mandatory to refine the characteristics of these cells to monitor their survival and develop adapted therapies. This is of particular interest in acute myeloid leukemia (AML), for which the 5-year survival rate only reaches 30%, regardless of the prognosis. The role of the microenvironment is increasingly reported to be a key regulator for blast survival. In this context, we demonstrate that contact with mesenchymal stromal cells promotes a better survival of blasts in culture in the presence of anthracycline through the activation of ABC transporters. Stroma-dependent ABC transporter activation leads to the induction of a Side Population (SP) phenotype in a subpopulation of primary leukemia blasts through alpha (α)4 engagement. The stroma-promoting effect is reversible and is observed with stromal cells isolated from either healthy donors or leukemia patients. Blasts expressing an SP phenotype are mostly quiescent and are chemoresistant in vitro and in vivo in patient-derived xenograft mouse models. At the transcriptomic level, blasts from the SP are specifically enriched in the drug metabolism program. This detoxification signature engaged in contact with mesenchymal stromal cells represents promising ways to target stroma-induced chemoresistance of AML cells.
How lovebirds maneuver through lateral gusts with minimal visual information

Significance Pilots need complex instruments and training to safely fly through gusts when their vision is deprived. In contrast, birds fly reliably over open water and at night, despite being more susceptible to gusts due to their much lower flight speeds. We found that even inexperienced lovebirds can navigate through strong opposing gusts in the dark, with only a faint point light source as a beacon. Their ability is surprising, because it was previously thought that diurnal animals needed a visual horizon and image features moving over their retina to maneuver. Instead, lovebirds fixate their head on the beacon while reorienting their body into the gust like a weathervane, enabling them to infer gust angle via neck twist and compensate accordingly. Flying birds maneuver effectively through lateral gusts, even when gust speeds are as high as flight speeds. What information birds use to sense gusts and how they compensate is largely unknown. We found that lovebirds can maneuver through 45° lateral gusts similarly well in forest-, lake-, and cave-like visual environments. Despite being diurnal and raised in captivity, the birds fly to their goal perch with only a dim point light source as a beacon, showing that they do not need optic flow or a visual horizon to maneuver. To accomplish this feat, lovebirds primarily yaw their bodies into the gust while fixating their head on the goal using neck angles of up to 30°. Our corroborated model for proportional yaw reorientation and speed control shows how lovebirds can compensate for lateral gusts informed by muscle proprioceptive cues from neck twist. The neck muscles not only stabilize the lovebirds’ visual and inertial head orientations by compensating low-frequency body maneuvers, but also attenuate faster 3D wingbeat-induced perturbations. This head stabilization enables the vestibular system to sense the direction of gravity. Apparently, the visual horizon can be replaced by a gravitational horizon to inform the observed horizontal gust compensation maneuvers in the dark. Our scaling analysis shows how this minimal sensorimotor solution scales favorably for bigger birds, offering local wind angle feedback within a wingbeat. The way lovebirds glean wind orientation may thus inform minimal control algorithms that enable aerial robots to maneuver in similar windy and dark environments.
Intelligent support for knowledge capture and construction

In traditional views of knowledge management, knowledge capture is seen as primarily knowledge acquisition, capturing knowledge that already exists within the expert. This thesis proposes an alternative approach, “knowledge extension,” based on the premise that a knowledge model evolves from coordinated processes of knowledge acquisition and knowledge construction. In this view, it is crucial to support experts' construction of new knowledge as they extend existing knowledge models. This dissertation develops and evaluates artificial intelligence methods to facilitate knowledge extension, especially in the context of knowledge modeling via concept mapping. The problem of supporting knowledge extension raises two research questions: First, how can topic descriptors be algorithmically extracted from concept maps, and second, how to use these topic descriptors to identify candidate topics on the Web with the right balance of novelty and relevance. To address these questions, this thesis develops the theoretical framework required for a “topic suggester'” to aid information search in the context of a knowledge model under construction. Finally, it describes and evaluates EXTENDER, an implemented support tool based on this framework. The proposed algorithms have been developed and tested within the framework of CmapTools, a widely-used system for supporting knowledge modeling using concept maps. However, their generality makes them applicable to a broad class of knowledge modeling systems, and to Web search in general.
(Ultra) Fine particle concentrations and exposure in different indoor and outdoor microenvironments during physical exercising

ABSTRACT Although regular exercise improves overall well-being, increased physical activity results in enhanced breathing which consequently leads to elevated exposure to a variety of air pollutants producing adverse effects. It is well-known that one of these ambient air contaminants is ultrafine particles (UFP). Thus, this study aimed to (1) examine exposure to particle number concentrations (PNC) in size ranging from N20–1000 nm in different sport environments and (2) estimate the respective inhalation doses across varying activity scenarios based upon the World Health Organization recommendations for physical activity. PNC were continuously monitored (TSI P-Trak™ condensation particle counter) outdoors (Out1–Out2) and indoors (Ind1–Ind2; fitness clubs) over 4 weeks. Outdoor PNC (total median 12 563 # cm–3; means of 20 367 # cm–3 at Out1 and 7 122 # cm–3 at Out2) were approximately 1.6-fold higher than indoors (total median 7 653 # cm–3; means of 11 861 # cm–3 at Ind1 and 14 200 # cm–3 at Ind2). The lowest doses were inhaled during holistic group classes (7.91 × 107–1.87 × 108 # per kg body weight) whereas exercising with mixed cardio and strength training led to approximately 1.8-fold higher levels. In order to optimize the health benefit of exercises, environmental characteristics of the locations at which physical activities are conducted need to be considered.
Longer, More Active Commute, but Still not Very Active: Five-Year Physical Activity and Travel Behavior Change in a University Population

Active travel can support the achievement of recommended levels of physical activity. Monitoring travel behavior of university students and staff provides a useful insight into patterns of regional travel and population level changes in physical activity. This study sought to evaluate current travel and physical activity behaviors in a university population and to determine whether these changed over time. An online survey of travel behavior and physical activity was conducted at the University of Sydney, Australia. The survey was actively promoted for three weeks prior to the release of the survey among staff and students, which asked about travel behavior on a specific day in September 2017. The survey questions were the same as those used in a similar online survey conducted across the University in 2012. In total, 4359 People completed the survey, representing 10.8% of staff and 4.1% of students. Approximately two thirds of survey respondents were students, in both the 2012 and 2017 surveys. Compared with 2012, there was an increase in active travel to the University in 2017 from increased walking and train travel. Compared to 2012, in 2017 there was an increase in average minutes walked by about nine minutes, and less time spent sitting. Trip lengths increased, with 68% of trips taking longer than 30 min in 2017. The amount of time spent in low–moderate levels physical activity increased between 2012 and 2017, potentially related to active travel behavior. Citywide changes towards a system-wide transport fare structure was the biggest change in the transport environment between the two surveys and may have contributed to increased train travel.
Surface-to-bulk redox coupling through thermally-driven Li redistribution in Li- and Mn-rich layered cathode materials.

Li- and Mn-rich (LMR) layered cathode materials have demonstrated impressive capacity and specific energy density thanks to their intertwined redox centers including transition metal cations and oxygen anions. Although tremendous efforts have been devoted to the investigation of the electrochemically-driven redox evolution in LMR cathode at ambient temperature, their behavior under a mildly elevated temperature (up to ~100 oC), with or without electrochemical driving force, remains largely unexplored. Here we show a systematic study of the thermally-driven surface-to-bulk redox coupling effect in charged Li1.2Ni0. 15Co0.1Mn0. 55O2. We for the first time observed a charge transfer between the bulk oxygen anions and the surface transition metal cations under ~100 oC, which is attributed to the thermally-driven redistribution of Li ions. This finding highlights the non-equilibrium state and dynamic nature of the LMR material at deeply delithiated state upon a mild temperature perturbation.
Modelling the relationships between haemoglobin oxygen affinity and the oxygen cascade in humans

Haemoglobin affinity is an integral concept in exercise physiology that impacts oxygen uptake, delivery and consumption. How chronic alterations in haemoglobin affinity impact physiology is unknown. Using human haemoglobin variants, we demonstrate that the affinity of haemoglobin for oxygen is highly correlated with haemoglobin concentration. Using the Fick equation, we model how altered haemoglobin affinity and the associated haemoglobin concentration influences oxygen consumption at rest and during exercise via alterations in cardiac output and mixed‐venous PO2 . The combination of low oxygen affinity haemoglobin and reduced haemoglobin concentration seen in vivo may be unable to support oxygen uptake during moderate or heavy exercise.
Immunomodulatory Activity of Low Molecular-Weight Peptides from Nibea japonica in RAW264.7 Cells via NF-κB Pathway

In this study, a low molecular-weight (Mw) peptide named NJP (<1 kDa), was purified from a protein hydrolysate of Nibea japonica by ultrafiltration, and its immunomodulatory effect on RAW264.7 cells was evaluated. The lactate dehydrogenase (LDH) and MTT assays were performed to explore the cytotoxicity of NJP. The results showed that NJP promoted cell proliferation and had no significant toxic effects on RAW264.7 cells. Moreover, the cells formed multiple pseudopodia indicating that they were in activated state. Further tests showed that NJP significantly promoted phagocytic capacity, and the secretion of proinflammatory cytokines tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6), and interleukin-1β (IL-1β). It also increased the synthesis of nitric oxide (NO) by upregulating inducible nitric oxide synthase (iNOS) protein level. Flow cytometry revealed that NJP promoted cell cycle progression and increased the percentage of cells in G0/G1 phase. NJP promoted IκBα degradation, p65 and nuclear factor (NF)-κB activation and translocation by up-regulating IKKα/β protein expression. In conclusion, these results indicated that NJP exerts immunomodulatory effects on RAW264.7 cells through the NF-κB signaling pathway. Therefore, NJP can be incorporated in the production of functional foods or nutraceuticals.