Miracle-dz/UniFAR-FTUs huggingface dataset:
Potential Energy Surfaces for Noble Gas (Ar, Kr, Xe, Rn)-Propylene Oxide Systems: Analytical Formulation and Binding

Multidimensional potential energy surfaces for heavy noble gas–propylene oxide systems are obtained by applying the phenomenological method successfully used to describe homologous systems involving He and Ne atoms. Such potential energy surfaces, where the interaction exclusively arises from the anisotropic van der Waals interaction components, are given in an analytical form. Therefore, they can be easily used as force fields to carry out molecular simulations to evaluate spectroscopic features and the dynamical selectivity of weakly bound complexes formed by propylene oxide (a prototype chiral species) with a noble gas atom (a prototype isotropic partner) by two-body collisions under a variety of conditions. Several potential energy minima are identified on the surfaces, which are confirmed and characterized by high level ab initio calculations. The next step to further generalize this methodology is its extension to systems involving propylene oxide-diatomic molecules (as H2, O2 and N2), as well as to propylene oxide dimers.
Interactive effects of self-congruity and need for uniqueness on brand loyalty via brand experience and brand attachment

Purpose This paper aims to examine the differences in the process by which three types of self-congruity (actual, ideal and social) interact with the need for uniqueness (NFU) to influence brand loyalty via brand experience and brand attachment. Design/methodology/approach An online survey with 428 members of an Australian consumer panel. The data are analyzed using the structural equation modeling (SEM). Findings The results show that social self-congruity (SSC) has a direct effect on the brand attachment, but actual and ideal self-congruity (ASC and ISC) influence it only indirectly through brand experience. Moreover, the NFU strengthens the positive effect of ISC but weakens the effect of SSC on brand attachment. Research limitations/implications This study uses publicly consumed brands and the NFU as the moderator. Future research may study privately consumer brands and use other moderators, such as regulatory focus (promotion vs prevention). Originality/value This study extends current research on brand attachment by highlighting the positive influence of SSC on brand attachment. It also establishes the mediating role of brand experience and the moderating role of the NFU. These are new insights about the underlying process and the boundary conditions for the well-established relationship between self-congruity and brand attachment.
A light-driven dual-nanotransformer with deep tumor penetration for efficient chemo-immunotherapy

Designing a transformable nanosystem with improved tumor accumulation and penetration by tuning multiple physicochemical properties remains a challenge. Here, a near-infrared (NIR) light-driven nanosystem with size and charge dual-transformation for deep tumor penetration is developed. Methods: The core-shell nanotransformer is realized by integrating diselenide-bridged mesoporous organosilica nanoparticles as a reactive oxygen species (ROS)-responsive core with an indocyanine green (ICG)-hybrid N-isopropyl acrylamide layer as a thermosensitive shell. After loading doxorubicin (DOX), negatively charged nanomedicine prevents DOX leakage, rendering prolonged blood circulation time and high tumor accumulation. Results: Upon NIR light irradiation, mild photothermal effects facilitate the dissociation of the thermosensitive shell to achieve negative-to-positive charge reversal. Meanwhile, ICG-generated ROS cleave the diselenide bond of the organosilica core, resulting in rapid matrix degradation that produces DOX-containing smaller fragments. Such a light-driven dual-transformable nanomedicine simultaneously promotes deep tumor penetration and implements sufficient chemotherapy, along with evoking robust immunogenic cell death effects in vitro and in vivo. With the combination of a programmed cell death protein-1 (PD-1) checkpoint blockade, the nanotransformer remarkably blocks primary tumor growth and pulmonary metastasis of breast cancer with low systemic toxicity. Conclusions: This study develops a promising strategy to realize high tumor accumulation and deep penetration of light-transformable nanomedicine for efficient and safe chemo-immunotherapy.
Autolysis affects the iron cargo of ferritins in neurons and glial cells at different rates in the human brain

Iron is known to accumulate in neurological disorders, so a careful balance of the iron concentration is essential for healthy brain functioning. An imbalance in iron homeostasis could arise due to the dysfunction of the proteins involved in iron homeostasis. Here, we focus on ferritin – the primary iron storage protein of the brain. Though it is known that glial cells and neurons differ in their concentration of ferritin, the change in the number of iron-filled ferritin cores or their distribution between different cell types during autolysis has not been revealed yet. Here, we show the cellular and region-wide distribution of ferritin in the human brain using state-of-the-art analytical electron microscopy. We validated the concentration of iron-filled ferritin cores to the absolute iron concentration measured by quantitative MRI and inductively coupled plasma mass spectrometry. We show that ferritins lost iron from their cores with progressing autolysis whereas the overall iron concentrations were unaffected. Though the highest concentration of ferritins was found in glial cells, we found that as the total ferritin concentration increased in a patient, ferritin accumulated more in neurons than in glial cells. Collectively our findings point out the unique behaviour of neurons in storing iron during autolysis and explain the differences between the absolute iron concentrations and iron-filled ferritin in a cell-type-dependent fashion in the human brain. Significance statement Balance of the iron load of the brain is crucial to preventing neurodegenerative disorders. Our study establishes a relation between autolysis, iron, and ferritin in the human brain with emphasis on the role of different cells in ferritin storage. We demonstrate that the iron load of ferritins does not correlate with mean iron concentrations during autolysis. Neurons retain more iron-loaded ferritin than glial cells with increasing ferritin count, which may make neurons more susceptible and exacerbate neuronal loss during iron overload. Neurons are also depleted of iron-loaded ferritin cores faster than glial cells during autolysis, demonstrating their unique role in iron storage. This paves the way to understanding the respective roles of neurons and glial cells in preventing or promoting neurodegeneration.
Transdiagnostic treatment (UP-A) on shame, self-criticism, emotional eating and emotional dysregulation in obese adolescents: A randomized controlled trial

Background: The present study aimed to investigate the effectiveness of Unified Protocol for Transdiagnostic Treatment – adolescent versionon shame, self-criticism, emotional eating and difficulties in emotion regulation in adolescents suffering from obesity. Method: In a randomized controlled trial, 30 female adolescents were recruited by convenience sampling from three nutrition clinics and randomly allocated to intervention and control groups. The experimental group went through 16 weekly treatment sessions of UP-A. Both groups were assessed at pre-tests and re-assessed after the intervention and 3 months follow-up. Body image shame scale, difficulties in emotion regulation scale, self-criticizing and reassuring scale, and emotional eating subscale of Dutch eating behavior questionnaire, and were used to measure body shame, self-critical attitudes, emotional eating, and emotional dysregulations, respectively. Results: Mixed analysis of variance (P-value <0.05) showed that UP-A significantly reduced body shame (F=19.28, P=0.00, η2=0.40), self-criticism including {inadequate Self (F=11.22, P=0.00, η2=0.28), Hated Self (F=9.66, P=0.00, η2=0.25), Reassuring Self (F=11.01, P=0.00, η2=0.28)}; emotional eating (F=13.94, P=0.00, η2=0.33) and difficulties in emotion regulation (F=10.41, P=0.00, η2=0.27) in teens with obesity. Conclusion: The findings suggest that UP-A treatment offers a promising avenue through which emotional problems could be alleviated in obese adolescents.
Surface Displacement and Source Model Separation of the Two Strongest Earthquakes During the 2019 Ridgecrest Sequence: Insights From InSAR, GPS, and Optical Data

Since the occurrence of the 2019 Mw 6.4 and Mw 7.1 Ridgecrest earthquake sequence in the Eastern California Shear Zone, coseismic deformation following the two earthquakes has been intensively studied, and source modeling with interferometric synthetic aperture radar (InSAR), Global Positioning System (GPS) and seismological datasets has been favored. However, we recently found that the coseismic modeling of the two earthquakes constrained by the dense near‐field Planet‐Lab optical measurements can be more detailed than the previously estimated, which requires an accurate Planet‐Lab displacement. In this study, we improve the long wavelength orbital ramps correction method for obtaining a more accurate Planet‐Lab horizontal displacement field. The corrected dense near‐field Planet‐Lab data are firstly used together with the intermediate‐field GPS data to invert and distinguish the fault slip distribution for the two earthquakes. The same scheme is used to simultaneously invert the InSAR, SAR, GPS, and optical datasets, to improve the constraints on seismic source parameters. Our inversion results show that the joint‐event slip model is rougher than the two single‐event slip models, but it has a more concentrated slip pattern and larger slip amplitude in some zones. We show that adding a near‐field constraint of the Planet‐Lab data in the combined‐data inversion can reduce the slip parameter uncertainty and enhance the model resolution. The Coulomb failure stress changes on the southeastern Blackwater, the southern Owens Valley, and the central Panamint Valley faults are enhanced by about 0.4–0.8 bar by the 2019 Ridgecrest earthquake sequence.
Leading When the Boss is Present: How Leadership Structure Schemas Affect Leadership Behavior

We examine how leadership structure schemas (LSS) – mental models of how leadership is most effectively structured in groups – interact with formal authority to influence individuals’ leadership behavior and perceptions of others who lead. Across two experiments and a field study, we find that for individuals without formal authority, holding a more shared LSS (relative to a more hierarchical LSS) is positively associated with leadership behavior. However, this effect reverses for individuals in authority positions. Additionally, individuals who engage in leadership behavior are seen as higher in interpersonal warmth by observers who hold a more shared rather than a more hierarchical LSS.
Self-compassion, social cognition, and self-affect in adolescence: A longitudinal study

ABSTRACT The current study examined the longitudinal association of social cognition (Theory of Mind, empathy) and self-affect (self-conscious emotions) with 99 adolescents’ positive and negative dimensions of self-compassion over two years (T1: 10.75 years, T2: 12.08 years). For the total sample, analysis showed no relations among variables, but separate gender analysis revealed differences in correlational patterns. For boys only, self-coldness negatively predicted affective Theory of Mind or the ability to recognize emotions in others. For girls only, affective Theory of Mind predicted an increase in blaming others for transgressions. Higher levels of the ability to recognize emotions in others failed to foster self-kindness and compassion. Decoding others’ emotions may protect adolescent girls from self-judgement, and boys from self-coldness.
Prevalence of MRI findings in lumbosacral spine in patients with chronic low back pain: A cross-sectional study

Introduction: Low back pain (LBP) is one of the most common causes of patients looking for medical care. The incidence of LBP in adults is 84% and the estimated incidence in all age groups is 18%. Materials and Methods: A cross-sectional study conducted among patients who underwent lumbosacral spine MRI for suspected degenerative disc diseases causing chronic low back pain in patients who age from 21 to 73 years between January 2019 and August 2021. Results: 427 patients fit into our inclusion criteria. The most common MRI degenerative finding was disc dehydration (82%) followed by the effect on the relative nerve roots including touching, encroachment, and compression (78.7%) while annular fissure was the least (4.9%). Conclusion: Disc dehydration was the most common pattern of MRI degenerative findings and its prevalence was higher among the elderly. The most commonly affected region of the spine was L4/5 with similar prevalence in both males and females.
Impact of Infectious Disease after Lactococcus lactis Strain Plasma Intake in Vietnamese Schoolchildren: A Randomized, Placebo-Controlled, Double-Blind Study

Lactococcus lactis strain Plasma (LC-Plasma) is reported to have anti-viral effects via direct activation of plasmacytoid dendritic cells, which upregulate the production of type I and III interferons. A randomized, placebo-controlled, double-blind, parallel group study was designed for elementary schoolchildren, grades 1 to 3, in Vietnam. LC-Plasma or a control were administered to schoolchildren as a beverage (1.0 × 1011 count LC-Plasma/day/person). The primary endpoint was to determine the efficacy of LC-Plasma in reducing the cumulative days absent from school due to upper respiratory disease (URID) and gastrointestinal disease (GID), and the secondary endpoint was to evaluate the potency of LC-Plasma on URID/GID symptoms and general well-being scores. LC-Plasma intake significantly reduced the cumulative days absent from school due to URID/GID (Odds ratio (OR) = 0.57, p = 0.004) and URID alone (OR = 0.56, p = 0.005); LC-Plasma also significantly reduced the number of cumulative fever positive days during the first 4 weeks of intervention (OR = 0.58, p = 0.001) and cumulative days with diarrhea during the last 4 weeks of the intervention period (OR = 0.78, p = 0.01). The number of positive general wellbeing days was significantly improved in the LC-Plasma group compared with the control throughout the intervention period (OR = 0.93, 0.93, p = 0.03, 0.04 in the first and last 4 weeks of the intervention, respectively). These data suggest that LC-Plasma seems to improve the health condition of elementary schoolchildren and reduces school absenteeism due to infectious disease, especially URID.
Biopsychosocial Aspect of Patients With X-Linked Dystonia-Parkinsonism: Its Implications on Quality of Life

Objective: This study aims to describe the demographic profile in terms of age, marital status, annual family income, and educational attainment; to describe the physical, psychological, and social manifestations; to determine and describe coping mechanisms; to determine the goals, aspirations, and needs; and to determine the interaction and impact of the lived experiences on the quality of life of X-linked dystonia-parkinsonism (XDP) patients. Methods: This qualitative-phenomenological study was conducted in the island of Panay. Purposive sampling was utilized. The researchers utilized in-depth interviews, observation, and triangulation as part of the data collection methods. The data were transcribed verbatim, kept for content analysis, and coded in their appropriate cell categories after themes were identified. Results: Ten male patients who were residents of Panay and aged 30-65 years old participated in this study. Disease manifestations included limb dystonia, blepharospasm, truncal torsion, oromandibular symptoms, torticollis, and dysphonia, contributing to limitations in performing activities of daily living. Denial was the most common initial reaction after being diagnosed with XDP. Social manifestations were greatly affected by family and community. Money and medications were the primary needs identified by the patients with hopes of a better future for their families. There was an overall deterioration in the quality of life of the patients. Conclusions: XDP greatly affected the physical, psychological, and social aspects of the patients. Coping with the disease and its effects has been thought to play an important role in the perception of one’s quality of life.
Protective Effect of Qiliqiangxin against Doxorubicin-Induced Cardiomyopathy by Suppressing Excessive Autophagy and Apoptosis

Background Doxorubicin (DOX) is one of the most potent and widely prescribed antitumor agents; however, its clinical use is limited by cardiac side effects. In this study, we aimed to clarify the protective effects of Qiliqiangxin (QL), a traditional Chinese medicine formulation, on DOX-induced cardiotoxicity and to explore the underlying mechanisms in a rat model. Methods Male Sprague-Dawley rats were randomly assigned to three groups with different interventions (control, DOX, and DOX plus QL) for 31 days. Cardiac function was monitored. The levels of oxidative stress in plasm were detected, the activities of autophagy and apoptosis in rat hearts were determined, and then, the related PI3K/AKT/mTOR signal pathway regulating apoptosis and autophagy was investigated. Results QL improved cardiac dysfunction and decreased the increased level of cardiac enzymes in plasm caused by DOX. Moreover, DOX exposure resulted in oxidative stress enhancement, which was suppressed by QL treatment. Then, we discovered that DOX intervention caused the apoptosis of cardiomyocytes by activating the mitochondrial-dependent apoptotic pathway which was strongly inhibited by QL treatment. Furthermore, there was a significant increase in autophagic activities in the DOX-stimulated myocardium. Administration of QL substantially inhibited the enhanced autophagic activities, which might be attributed to the activation of PI3K/AKT/mTOR cascade, followed by suppression of ULK1 activity. Conclusions QL exhibited protective roles against DOX-induced cardiotoxicity possibly via mediating the PI3K/AKT/mTOR pathway, leading to inhibition of autophagy and subsequent apoptosis activities.
Health System Resiliency and the COVID-19 Pandemic: A Case Study of a New Nationwide Contingency Staffing Program

When COVID-19 emerged, the U.S. Veterans Health Administration (VA) was in the process of implementing a national contingency staffing program called Clinical Resource Hubs (CRHs). CRHs were intended to provide regional contingency staffing for primary and mental health clinics experiencing staffing shortages primarily through telehealth. Long-term plans (year 2) included emergency management support. Early in the implementation, we conducted semi-structured interviews with CRH directors and national program leaders (n = 26) and used a rapid analysis approach to identify actions taken by CRHs to support the resiliency of the VA healthcare system during the pandemic. We found that the CRH program was flexible and nimble enough to allow VA to leverage providers at hubs to better respond to the demands of COVID-19. Actions taken at hubs to sustain patient access and staff resiliency during the pandemic included supporting call centers and training VA providers on virtual care delivery. Factors that facilitated CRH’s emergency response included hub staff expertise in telehealth and the increased acceptability of virtual care among key stakeholders. We conclude that hub providers serving as contingency staff, as well as specialization in delivering virtual outpatient and inpatient care, enabled VA health system resiliency and recovery during the COVID-19 pandemic.
A Simple and Robust Spectral Index for Identifying Lodged Maize Using Gaofen1 Satellite Data

Crop lodging is a major destructive factor for agricultural production. Developing a cost-efficient and accurate method to assess crop lodging is crucial for informing crop management decisions and reducing lodging losses. Satellite remote sensing can provide continuous data on a large scale; however, its utility in detecting lodging crops is limited due to the complexity of lodging events and the unavailability of high spatial and temporal resolution data. Gaofen1 satellite was launched in 2013. The short revisit cycle and wide orbit coverage of the Gaofen1 satellite make it suitable for lodging identification. However, few studies have explored lodging detection using Gaofen1 data, and the operational application of existing approaches over large spatial extents seems to be unrealistic. In this paper, we discuss the identification method of lodged maize and explore the potential of using Gaofen1 data. An analysis of the spectral features after maize lodging revealed that reflectance increased significantly in all bands, compared to non-lodged maize. A spectral sum index was proposed to distinguish lodged and non-lodged maize. Two study areas were considered: Zhaodong City in Heilongjiang Province and Ningjiang District in Jilin Province. The results of the identified lodged maize from the Gaofen1 data were validated based on three methods: first, ground sample points exhibited the overall accuracies of 92.86% and 88.24% for Zhaodong City and Ningjiang District, respectively; second, the cross-comparison differences of 1.01% for Zhaodong City and 1.13% for Ningjiang District were obtained, compared to the results acquired from the finer-resolution Planet data; and third, the identified results from Gaofen1 data and those from farmer survey questionnaires were found to be consistent. The validation results indicate that the proposed index is promising, and the Gaofen1 data have the potential for rapid lodging monitoring.
An Optimal Regulation of Fluxes Dictates Microbial Growth In and Out of Steady-State

Effective coordination of cellular processes is critical to ensure the competitive growth of microbial organisms. Pivotal to this coordination is the appropriate partitioning of cellular resources between protein synthesis via translation and the metabolism needed to sustain it. Here, we extend a low-dimensional allocation model to describe the dynamic control of this resource partitioning. At the core of this regulation is the optimal coordination of metabolic and translational fluxes, mechanistically achieved via the perception of charged- and uncharged-tRNA turnover. An extensive comparison with ≈ 60 data sets from Escherichia coli establishes this regulatory mechanism’s biological veracity and demonstrates that a remarkably wide range of growth phenomena in and out of steady state can be predicted with quantitative accuracy. This predictive power, achieved with only a few biological parameters, cements the preeminent importance of optimal flux regulation across conditions and establishes low-dimensional allocation models as an ideal physiological framework to interrogate the dynamics of growth, competition, and adaptation in complex and ever-changing environments.