Miracle-dz/UniFAR-FTUs huggingface dataset:
Thermodynamic study on the U(VI) complexation with dicarboxylates by calorimetry

Abstract The thermodynamic quantities (ΔG, ΔH and ΔS) of U(VI) complexation with oxalate, malonate, succinate, glutarate, adipate, phthalate, tartronate and malate, and of Eu(III) complexation with succinate, glutarate and adipate were determined by potentiometric and calorimetric titration techniques. The obtained thermodynamic quantities indicated that these complexation reactions are mainly driven by the entropy changes while the enthalpy changes are nearly zero or preventing the complexation. The thermodynamic quantities of 1:1 U(VI) complexes with 5 dicarboxylates having different carbon chain lengths (−OOC−(CH2)n−COO−) showed an interesting tendency, that is, −ΔH decreased and TΔS increased systematically with increasing the length of the carbon chain from n = 2 to 6. The comparison of TΔS values of 1:1 carboxylate formation with U(VI) and Eu(III) showed that TΔS of U(VI) were always lager than those of Eu(III). The entropies of 1:1 complex formation of U(VI) with hydroxycarboxylates were always smaller than those with carboxylates of the same carbon chain length, while the enthalpies of uranyl hydroxycarboxylates were always larger. This tendency was also observed in the protonation and the complex formation of Eu(III).
CHARACTERIZATION OF PROTEINS DURING AGGREGATION USING TURBIDIMETRY

The dissolution process for hydrophobic proteins as well as protein denaturation-renaturation reactions often lead to the formation of aggregates. The characterization of the aggregates in terms of sire and the characterization of the physico-chemical changes undergone by the proteins are key to the elucidation of the kinetics of both, the aggregation processes and the denaturation-renaturation reactions. The aggregation processes and the denaturation-renaturation reactions are amenable to characterization through spectroscopy techniques. This paper reports on a technique for the estimation of the particle size and the absorption coefficients of proteins in solution and in protein aggregates present during denaturation-renaluration reactions. The technique reported is based on the application of Mie theory to turbidity measurements of polydisperse particulate systems. Mie theory is applied to both, the region where the particles are non-absorbing and, to the spectral region where the protein intrinsic chr.
Efficacy of Traditional Physical Therapy Versus Otago-Based Exercise in Fall Prevention for ALF-Residing Older Adults

Background and Purpose: Falls are a leading cause of morbidity, mortality, loss of independence, and significant functional decline in aging populations. Effective interventions aimed at reducing the risk of falls, and preventing associated disability and functional decline, are needed to promote the health and wellness of older adults. Recent literature has found that an Otago-based exercise program (OBEP), which incorporates strengthening, balance, and walking, may not only decrease falls and fall risk among community-dwelling older adults but may also be effective among older adults residing in assisted living facilities (ALFs). The purpose of this study is to expand upon current research by comparing the outcomes of an OBEP and traditional physical therapy (TPT) in decreasing falls and the risk of falls among older adults living in an ALF. The authors hypothesized that traditional physical therapy would reduce fall risk and the number of falls in older adults residing in ALFs more than an OBEP. Methods: This study conducted a 2-group retrospective chart review of 59 older adults living in an ALF from January 2013 to October 2018 who received either TPT (n = 29) or the OBEP (n = 30). Participants were a mean of 87 years old and were classified at risk for falls by the Tinetti Performance-Oriented Mobility Assessment (POMA). Primary variables included the number of falls prior to intervention, during intervention, and 1 year following intervention, as well as pre- and posttreatment Tinetti POMA scores. Efficacy was examined using multiple linear regression analysis. Results and Discussion: Both groups achieved reduced falls and increased POMA scores. Group assignment did not significantly predict performance in key outcome measures, namely the number of falls (P = .199) and Tinetti POMA scores (P = .063) following treatment. Conclusions: These findings indicated that both an OBEP and tpt may be effective interventions for reducing falls and fall risk in the ALF setting.
The Correctness of the Simplified Bernoulli Trial (SBT) Collision Scheme of Calculations of Two-Dimensional Flows

Micro-electromechanical systems (MEMS) have developed rapidly in recent years in various technical fields that have increased their interest in the Direct Simulation Monte Carlo (DSMC) method. In this paper, we present a simple representation of the DSMC collision scheme and investigate the correctness of the Simplified Bernoulli Trial (SBT) collision scheme for the calculation of two-dimensional flows. The first part of the collision scheme, which determines collision pairs, is presented following the derivation of the expression for the mean free path and using the cumulative distribution function. Approaches and conclusions based on one-dimensional flows are not always directly applicable to two- and three-dimensional flows. We investigated SBT correctness by using the two-dimensional pressure-driven gas flow of monoatomic gas as a test case. We studied the influence of shuffling of the list of particles per cell (PPC) before the collision scheme’s execution, as well as the minimal and maximal number of PPC, on the correctness of the solution. The investigation showed that shuffling and the number of PPC played an important role in the correctness of SBT. Our recommendations are straightforwardly applicable to three-dimensional flows. Finally, we considered the mixing of two gases and compared the results available in the literature.
WATER STRESS AND NITROGEN MANAGEMENT EFFECTS ON GAS EXCHANGE, WATER RELATIONS, AND WATER USE EFFICIENCY IN WHEAT

A field experiment was conducted over two years to evaluate the gas exchange, water relations, and water use efficiency (WUE) of wheat under different water stress and nitrogen management practices at Crop Physiology Research Area, University of Agriculture, Faisalabad, Pakistan. Four irrigation regimes and four nitrogen levels, i.e., 0, 50, 100, and 150 kg N ha−1 were applied in this study. The photosynthetic gas exchange parameters [net carbon dioxide (CO2) assimilation rate, transpiration rate and stomatal conductance] are remarkably improved by water application and nitrogen (N) nutrition. Plants grown under four irrigation treatments as compared with those grown under one irrigation treatment average stomatal conductance increased from 0.15 to 0.46 μ mol m−2s−1mol during 2002–2003 and 0.18 to 0.33 μ mol m−2s−1mol during the year 2003–2004 and photosynthetic rate from 9.33 to 13.03 μmol CO2 m−2 s−1 and 3.99 to 7.75 μmol CO2 m−2 s−1 during the year 2002–2003 and 2003–2004, respectively. The exposure of plants to water and nitrogen stress lead to noticeable decrease in leaf water potential, osmotic potential and relative water content. Relative water content (RWC) of stressed plants dropped from 98 to 75% with the decrease in number of irrigation and nitrogen nutrition. The higher leaf water potential, and relative water contents were associated with higher photosynthetic rate. Water use efficiency (WUE) reduced with increasing number of irrigations and increased with increasing applied nitrogen at all irrigation levels.
Clinical manifestation and perceived symptoms of walking-related performance fatigability in persons with multiple sclerosis

Supplemental Digital Content is available in the text. Fatigue and walking difficulties are common impairments and activity limitations in persons with multiple sclerosis (PwMS). Walking fatigability (WF) can be measured by a Distance Walked Index and is defined as a decline in walking distance of 10% or more during the six-minute walking test (6MWT). However, the clinical manifestation and perceived symptoms related to fatigability are still not well documented. Forty-nine PwMS [Expanded Disability Status Scale (EDSS) ≤6] and 28 healthy controls (HC) performed a 6MWT. The perceived severity of 11 common symptoms was rated on a visual analogue scale of 0–10 before, immediately after, and 10, 20 and 30 minutes after the 6MWT by means of the symptom inventory. Short motor impairment screening tests at baseline together with other descriptive measures were performed. Twenty pwMS were categorized in the WF group and were more disabled (EDSS: 4.16 ± 1.41) than the non-walking fatigability group (n = 29, EDSS: 2.62 ± 1.94). PwMS showed exacerbations of several perceived symptoms in MS, where most symptoms returned to baseline within 10 minutes after the walking test. The WF group showed significantly more muscle weakness and gait impairment, together with balance problems, and experienced an increase in spasticity, pain and dizziness after 6MWT. Our findings showed that perceived severity of symptoms are higher in pwMS presenting WF, and increase temporally after the 6MWT. Future research with quantitative measurement during and after walking is recommended.
Effect of self-imagination on memory for older adults and aMCI patients

ABSTRACT Imagining an event from a personal perspective has been found to be able to enhance memory for words and sentences for healthy younger adults and brain-injured patients. However, little is known about how people with amnestic mild cognitive impairment (aMCI) respond to self-imagination, in comparison to healthy older adults. In the current study, participants were asked to process a group of objects using either a self-imagination approach or a baseline strategy in which the self was not heavily involved. Self-imagination shows a mnemonic advantage over the control strategy, though this pattern emerged more clearly for healthy older adults. Furthermore, suggestive evidence indicates that cognitive ability supports self-reference benefits for healthy older adults, but not aMCI patients. These findings extended previous research to reveal the effectiveness of self-imagination for older adults using pictorial stimuli and supported the viewpoint that aMCI could qualitatively change the way that cognitive resources are engaged.
A Virtual Ward Model of Care for Patients With COVID-19: Retrospective Single-Center Clinical Study

Background COVID-19 has necessitated the implementation of innovative health care models in preparation for an influx of patients. A virtual ward model delivers clinical care remotely to patients in isolation. We report on an Australian cohort of patients with COVID-19 treated in a virtual ward. Objective The aim of this study was to describe and evaluate the safety and efficacy of a virtual ward model of care for an Australian cohort of patients with COVID-19. Methods Retrospective clinical assessment was performed for 223 patients with confirmed COVID-19 treated in a virtual ward in Brisbane, Australia, from March 25 to May 15, 2020. Statistical analysis was performed for variables associated with the length of stay and hospitalization. Results Of 223 patients, 205 (92%) recovered without the need for escalation to hospital care. The median length of stay in the virtual ward was 8 days (range 1-44 days). In total, 18 (8%) patients were referred to hospital, of which 6 (33.3%) were discharged after assessment at the emergency department. Furthermore, 12 (5.4%) patients were admitted to hospital, of which 4 (33.3%) required supplemental oxygen and 2 (16.7%) required mechanical ventilation. No deaths were recorded. Factors associated with escalation to hospital care were the following: hypertension (odds ratio [OR] 3.6, 95% CI 1.28-9.87; P=.01), sputum production (OR 5.2, 95% CI 1.74-15.49; P=.001), and arthralgia (OR 3.8, 95% CI 1.21-11.71; P=.02) at illness onset and a polymerase chain reaction cycle threshold of ≤20 on a diagnostic nasopharyngeal swab (OR 5.0, 95% CI 1.25-19.63; P=.02). Conclusions Our results suggest that a virtual ward model of care to treat patients with COVID-19 is safe and efficacious, and only a small number of patients would potentially require escalation to hospital care. Further studies are required to validate this model of care.
The CXCL12 Crossroads in Cancer Stem Cells and Their Niche

Simple Summary CXCL12 and its receptors have been extensively studied in cancer, including their influence on cancer stem cells (CSCs) and their niche. This intensive research has led to a better understanding of the crosstalk between CXCL12 and CSCs, which has aided in designing several drugs that are currently being tested in clinical trials. However, a comprehensive review has not been published to date. The aim of this review is to provide an overview on how CXCL12 axes are involved in the regulation and maintenance of CSCs, their presence and influence at different cellular levels within the CSC niche, and the current state-of-the-art of therapeutic approaches aimed to target the CXCL12 crossroads. Abstract Cancer stem cells (CSCs) are defined as a subpopulation of “stem”-like cells within the tumor with unique characteristics that allow them to maintain tumor growth, escape standard anti-tumor therapies and drive subsequent repopulation of the tumor. This is the result of their intrinsic “stem”-like features and the strong driving influence of the CSC niche, a subcompartment within the tumor microenvironment that includes a diverse group of cells focused on maintaining and supporting the CSC. CXCL12 is a chemokine that plays a crucial role in hematopoietic stem cell support and has been extensively reported to be involved in several cancer-related processes. In this review, we will provide the latest evidence about the interactions between CSC niche-derived CXCL12 and its receptors—CXCR4 and CXCR7—present on CSC populations across different tumor entities. The interactions facilitated by CXCL12/CXCR4/CXCR7 axes seem to be strongly linked to CSC “stem”-like features, tumor progression, and metastasis promotion. Altogether, this suggests a role for CXCL12 and its receptors in the maintenance of CSCs and the components of their niche. Moreover, we will also provide an update of the therapeutic options being currently tested to disrupt the CXCL12 axes in order to target, directly or indirectly, the CSC subpopulation.
COVID-19 Outcomes Among Persons Living With or Without Diagnosed HIV Infection in New York State

Key Points Question Is there an association between prior diagnosis of HIV infection and coronavirus disease 2019 (COVID-19) diagnosis, hospitalization, and in-hospital death among residents of New York State? Findings In a cohort study of linked statewide HIV diagnosis, COVID-19 laboratory diagnosis, and hospitalization databases, persons living with an HIV diagnosis were more likely to receive a diagnosis of, be hospitalized with, and die in-hospital with COVID-19 compared with those not living with an HIV diagnosis. After demographic adjustment, COVID-19 hospitalization remained significantly elevated for individuals with an HIV diagnosis and was associated with elevated mortality. Meaning Persons living with an HIV diagnosis experienced poorer COVID-related outcomes (principally, higher rates of severe disease requiring hospitalization) relative to those without an HIV diagnosis.
Low elbow mobility indicates unique forelimb posture and function in a giant extinct marsupial

Joint mobility is a key factor in determining the functional capacity of tetrapod limbs, and is important in palaeobiological reconstructions of extinct animals. Recent advances have been made in quantifying osteological joint mobility using virtual computational methods; however, these approaches generally focus on the proximal limb joints and have seldom been applied to fossil mammals. Palorchestes azael is an enigmatic, extinct ~1000 kg marsupial with no close living relatives, whose functional ecology within Australian Pleistocene environments is poorly understood. Most intriguing is its flattened elbow morphology, which has long been assumed to indicate very low mobility at this important joint. Here, we tested elbow mobility via virtual range of motion (ROM) mapping and helical axis analysis, to quantitatively explore the limits of Palorchestes' elbow movement and compare this with their living and extinct relatives, as well as extant mammals that may represent functional analogues. We find that Palorchestes had the lowest elbow mobility among mammals sampled, even when afforded joint translations in addition to rotational degrees of freedom. This indicates that Palorchestes was limited to crouched forelimb postures, something highly unusual for mammals of this size. Coupled flexion and abduction created a skewed primary axis of movement at the elbow, suggesting an abducted forelimb posture and humeral rotation gait that is not found among marsupials and unlike that seen in any large mammals alive today. This work introduces new quantitative methods and demonstrates the utility of comparative ROM mapping approaches, highlighting that Palorchestes' forelimb function was unlike its contemporaneous relatives and appears to lack clear functional analogues among living mammals.
Dissecting the Role of VicK Phosphatase in Aggregation and Biofilm Formation of Streptococcus mutans

VicRK (WalRK or YycFG) is a conserved 2-component regulatory system (TCS) that regulates cell division, cell wall biosynthesis, and homeostasis in low-GC Gram-positive bacteria. VicRK is also associated with biofilm formation of Streptococcus mutans on the tooth surface as it directly regulates the extracellular polysaccharide (EPS) synthesis. Of the 2 components, VicK possesses both autokinase and phosphatase activities, which regulate the phosphorylation and dephosphorylation of the regulator VicR in response to environmental cues. However, the dual mechanism of VicK as the autokinase/phosphatase in regulating S. mutans’ responses is not well elucidated. Previously, it has been shown that the phosphatase activity depends on the PAS domain and residues in the DHp domain of VicK in S. mutans. Specifically, mutating proline at 222 in the PAS domain inhibits VicK phosphatase activity. We generated a VicKP222A mutant to determine the level of VicR-P in the cytoplasm by Phos-tag sodium dodecyl sulfate polyacrylamide gel electrophoresis. We show that in VicKP222A phosphatase, attenuation increased phosphorylated VicR (VicR-P) that downregulated glucosyltransferases, gtfBC, thereby reducing the synthesis of water-insoluble polysaccharides (WIS-EPS) in the biofilm. In addition, VicKP222A presented as long-rod cells, reduced growth, and displayed asymmetrical division. A major adhesin of S. mutans, SpaP was downregulated in VicKP222A, making it unable to agglutinate in saliva. In summary, we have confirmed that VicK phosphatase activity is critical to maintain optimal phosphorylation status of VicR in S. mutans, which is important for cell growth, cell division, EPS synthesis, and bacterial agglutination in saliva. Hence, VicK phosphatase activity may represent a promising target to modulate S. mutans’ pathogenicity.
Unexplored Costs of Bereavement Grief in Japan: Patterns of Increased Use of Medical, Pharmaceutical, and Financial Services

Bereaved families may experience psychological and physical problems increasing their reliance on medical, pharmaceutical, and financial/legal services. Our Japan-wide survey (n = 1078) researched bereaved who showed increased reliance on medical, pharmaceutical, and financial/legal services. Increased use was most evident in the ‘50’s age bracket, and for unemployed widows; it corresponded less with low annual income than with high income declining significantly after bereavement. Increased users showed higher psychological and physical symptoms of grief, and reported their decline in physical health seriously influencing their work and lives, suggesting “presenteeism”—reduced productivity for those continuing to work. Increased users spent 2.7 times more for medical and pharmaceutical services than those reporting continual use, portending 4 to 10 times more Japanese government expense for this group, half of whom considered their own out-of-pocket expenses a financial burden. These findings warrant further research on cost-effectiveness of interventions to reduce declining health of the bereaved.
Complex consequences of Cantu syndrome SUR2 variant R1154Q in genetically modified mice

Cantu syndrome (CS) is caused by gain-of-function (GOF) mutations in pore-forming (Kir6.1, KCNJ8) and accessory (SUR2, ABCC9) ATP-sensitive potassium (KATP) channel subunits, the most common mutations being SUR2[R1154Q] and SUR2[R1154W], carried by approximately 30% of patients. We used CRISPR/Cas9 genome engineering to introduce the equivalent of the human SUR2[R1154Q] mutation into the mouse ABCC9 gene. Along with minimal CS disease features, R1154Q cardiomyocytes and vascular smooth muscle showed much lower KATP current density and pinacidil activation than WT cells. Almost complete loss of SUR2-dependent protein and KATP in homozygous R1154Q ventricles revealed underlying diazoxide-sensitive SUR1-dependent KATP channel activity. Surprisingly, sequencing of SUR2 cDNA revealed 2 distinct transcripts, one encoding full-length SUR2 protein; and the other with an in-frame deletion of 93 bases (corresponding to 31 amino acids encoded by exon 28) that was present in approximately 40% and approximately 90% of transcripts from hetero- and homozygous R1154Q tissues, respectively. Recombinant expression of SUR2A protein lacking exon 28 resulted in nonfunctional channels. CS tissue from SUR2[R1154Q] mice and human induced pluripotent stem cell–derived (hiPSC-derived) cardiomyocytes showed only full-length SUR2 transcripts, although further studies will be required in order to fully test whether SUR2[R1154Q] or other CS mutations might result in aberrant splicing and variable expressivity of disease features in human CS.
Developmental Roles of the Hog1 Protein Phosphatases of the Maize Pathogen Cochliobolus heterostrophus

Protein phosphorylation cascades are universal in cell signaling. While kinome diversity allows specific phosphorylation events, relatively few phosphatases dephosphorylate key signaling proteins. Fungal mitogen activated protein kinases (MAPK), in contrast to their mammalian counterparts, often show detectable basal phosphorylation levels. Dephosphorylation, therefore, could act as a signal. In Cochliobolus heterostrophus, the Dothideomycete causing Southern corn leaf blight, ferulic acid (FA)—an abundant phenolic found in plant host cell walls—acts as a signal to rapidly dephosphorylate the stress-activated MAP kinase Hog1 (High Osmolarity Glycerol 1). In order to identify the protein phosphatases responsible, we constructed mutants in Hog1 phosphatases predicted from the genome by homology to yeast and other species. We found that Cochliobolus heterostrophus mutants lacking PtcB, a member of the PP2C family, exhibited altered growth, sporulation, and attenuated dephosphorylation in response to FA. The loss of the dual-specificity phosphatase CDC14 led to slow growth, decreased virulence, and attenuated dephosphorylation. Mutants in two predicted tyrosine phosphatase genes PTP1 and PTP2 showed normal development and virulence. Our results suggest that a network of phosphatases modulate Hog1’s dual phosphorylation levels. The mutants we constructed in this work provide a starting point to further unravel the signaling hierarchy by which exposure to FA leads to stress responses in the pathogen.