Miracle-dz/UniFAR-FTUs huggingface dataset:
A Proposed Framework for Identifying Nutrients and Food Components of Public Health Relevance in the Dietary Guidelines for Americans.

BACKGROUND Identification of nutrients of public health concern has been a hallmark of the Dietary Guidelines for Americans (DGA); however, a formal systematic process for identifying them has not been published. OBJECTIVES We aimed to propose a framework for identifying "nutrients or food components" (NFCs) of public health relevance to inform the DGA. METHODS The proposed framework consists of 1) defining terminology; 2) establishing quantitative thresholds to identify NFCs; and 3) examining national data. The proposed framework utilizes available data from 3 key data sources or "prongs": 1) dietary intakes; 2) biological endpoints; and 3) clinical health consequences such as prevalence of health conditions, directly or indirectly through validated surrogate markers. RESULTS In identifying potential NFCs of public health concern, the 2020 DGA Committee developed a decision-tree framework with suggestions for combining the 3 prongs. The identified NFCs of public health concern for Americans ≥1 y old included fiber, calcium (≥2 y old), vitamin D, and potassium for low intakes and sodium, added sugars, and saturated fats (≥2 y old) for high intakes that were associated with adverse health consequences. Iron was identified among infants ages 6-12 mo fed human milk. For reproductive-aged and pregnant females, iron (all trimesters) and folate (first trimester) were identified for low intake, based on dietary and biomarker data (iron) or the severity of the consequence (folic acid and neural tube defects). Among pregnant women, low iodine was of potential public health concern based on biomarker data. Other NFCs that were underconsumed, overconsumed, and pose special challenges were identified across the life course. CONCLUSIONS The proposed decision-tree framework was intended to streamline and add transparency to the work of this and future Dietary Guidelines Advisory Committees to identify NFCs that need to be encouraged or discouraged in order to help reduce risk of chronic disease and promote health and energy balance in the population.
The Antibiotic Dosage of Fastest Resistance Evolution: Gene Amplifications Underpinning the Inverted-U

Abstract To determine the dosage at which antibiotic resistance evolution is most rapid, we treated Escherichia coli in vitro, deploying the antibiotic erythromycin at dosages ranging from zero to high. Adaptation was fastest just below erythromycin’s minimal inhibitory concentration (MIC) and genotype-phenotype correlations determined from whole genome sequencing revealed the molecular basis: simultaneous selection for copy number variation in three resistance mechanisms which exhibited an “inverted-U” pattern of dose-dependence, as did several insertion sequences and an integron. Many genes did not conform to this pattern, however, reflecting changes in selection as dose increased: putative media adaptation polymorphisms at zero antibiotic dosage gave way to drug target (ribosomal RNA operon) amplification at mid dosages whereas prophage-mediated drug efflux amplifications dominated at the highest dosages. All treatments exhibited E. coli increases in the copy number of efflux operons acrAB and emrE at rates that correlated with increases in population density. For strains where the inverted-U was no longer observed following the genetic manipulation of acrAB, it could be recovered by prolonging the antibiotic treatment at subMIC dosages.
Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations

A data-set of nearly 100,000 symmetry unique multi-configurational ab initio points for methane were generated at the (AE)-MRCI-F12(Q)/CVQZ-F12 level, including energies beyond 30,000 cm−1 above the minimum and fit into potential energy surfaces (PESs) by several permutation invariant schemes. A multi-expansion interpolative fit combining interpolating moving least squares (IMLS) fitting and permutation invariant polynomials (PIP) was able to fit the complete data-set to a root-mean-square deviation of 1.0 cm−1 and thus was used to benchmark the other fitting methods. The other fitting methods include a single PIP expansion and two neural network (NN) based approaches, one of which combines NN with PIP. Full-dimensional variational vibrational calculations using a contracted-iterative method (and a Lanczos eigensolver) were used to assess the spectroscopic accuracy of the electronic structure method. The results show that the NN-based fitting approaches are able to fit the data-set remarkably accurately with the PIP–NN method producing levels in remarkably close agreement with the PIP–IMLS benchmark. The (AE)-MRCI-F12(Q)/CVQZ-F12 electronic structure method produces vibrational levels of near spectroscopic accuracy and a superb equilibrium geometry. The levels are systematically slightly too high, beginning at ∼ 1–2 cm−1 above the fundamentals and becoming correspondingly higher for overtones. The PES is therefore suitable for small ab initio or empirical corrections and since it is based on a multi-reference method, can be extended to represent dynamically relevant dissociation channels.
A Critical Review on Advancement in Analytical Strategies for the Quantification of Clinically Relevant Biological Transporters

Abstract Success of a drug discovery program is highly dependent on rapid scientific advancement and periodic inclusion of sensitive and specific analytical techniques. Biological membrane transporters can significantly alter the bioavailability of a molecule in its actual site of action. Expression of transporter proteins responsible for drug transport is extremely low in the biological system. Therefore, proper scientific planning in selection of their quantitative analytical technique is essential. This article discusses critical advancement in the analytical strategies for quantification of clinically relevant biological transporters for the drugs. Article cross-talked key planning and execution strategies concerning analytical quantification of the transporters during drug discovery programs.
Flow configurations for interfacing automatic ion-exchange devices with sequential inductively coupled plasma atomic emission spectrometry: application to trace metal determination in pure alkali metal salts

An automatic ion-exchange (AIE) device was used to separate trace constituents from matrix elements in alkali metal salts. The preconcentrated trace elements were eluted and subsequently determined on-line by sequential inductively coupled plasma atomic emission spectrometry. Optimum flow rates for both instruments were achieved by inserting a T-junction between the outlet of the AIE device and the ICP nebulizer. The excess of eluent was trapped, mixed and subsequently nebulized to obtain steady-state analyte signals. Alternatively, the analyte was dispersed using efficient mixing coils. Elution kinetics and dispersion of trace metal ions were studied for standard and alkali metal salt solutions. These flow configurations facilitated on-line multi-element analyses of alkali metal salts.
New developments in nucleation theory and their impact on natural gas separation

Conventional separators in the oil industry use a feed of oil and gas in two-phase multi-component equilibrium. Recently a new concept of separators has been introduced which can be fed with a single-phase gaseous mixture. The separator combines a quasi-isentropic expansion of the gas during which liquid droplets are formed by the nucleation process and a gasliquid cyclonic separator. The performance predictions of such a separator depend critically on an adequate description of nucleation phenomena. For a large number of practical cases the Classical Nucleation Theory is very inaccurate. The recently proposed Mean-field Kinetic Nucleation Theory yields quantitatively accurate predictions of nucleation behavior of various microscopically diverse substances. An important advantage of non-equilibrium separation is the minimal use of chemicals and absence of regeneration systems, as opposed to conventional separation methods such as glycol contactors or silica gel towers.
A comparison of test-retest reliability of four cognitive screening tools in people with dementia

Abstract Purpose This study aimed to compare the test-retest reliability and minimal detectable change (MDC) of the Mini-Mental State Examination (MMSE), the Short Portable Mental Status Questionnaire (SPMSQ), the Montreal Cognitive Assessment (MoCA), and the Saint Louis University Status Examination (SLUMS) in a single sample of people with dementia. Methods Sixty people with dementia were assessed twice two weeks apart, and the test-retest reliability was examined using the intraclass correlation coefficient (ICC) for four screening tools. The MDC95 value was calculated based on the standard error of measurement to estimate the random measurement error. Results The ICC values for screening tools were 0.86–0.90. The MDC95 values (MDC95%) were 5.0 (17.2%), 2.74 (27%), 4.71(20%), and 6.26 (24%) for the MMSE, SPMSQ, MoCA, and SLUMS, respectively. Conclusions Overall, the four screening tools were similar in test-retest reliability which imply that the MMSE, MoCA, SPMSQ, and SLUMS were reliable in monitoring cognitive function in people with dementia. The results of the direct comparisons of test-retest reliability of the four screening tools provide useful information for both clinicians and researchers to select an appropriate cognitive screening tool. Implications for Rehabilitation The MMSE, MoCA, SPMSQ, and SLUMS are equally reliable and thus they could be used to monitor the cognitive function in people with dementia. The MDC values are useful in determining whether a real change has occurred between repeated assessments for people with dementia.
Spray Forming: Controlling the Atomization Result with Regard to Particle Properties

Spray forming is a new production process for manufacturing semi‐finished metal products. The procedure combines the liquid metal atomization with the compaction event of the generated metal droplets on a substrate. During spray forming, the heat emission of the molten metal particles is one of the most important transfer operations defining the thermal conditions in the spray and deposit. Definite thermal conditions throughout the manufacturing process lead to fine equi‐axed grain structures and therewith to characteristic and desired material properties. Thus, in particular, the disintegration of the molten metal occurring during spray forming is an essential step.
Alendronate reduces the cognitive and neurological disturbances induced by combined doses of d‐galactose and aluminum chloride in mice

Neurological disturbances including cholinergic dysfunction, oxidative stress, neuroinflammation, and cognitive impairments are the well‐reported consequences of old age‐related disorders like Alzheimer's disease (AD) or dementia. Bisphosphonates were shown to ameliorate dementia in osteoporotic patients, neuroinflammation, and cholinesterase activity in rodents. Thus, the present study has been designed to examine the role of alendronate against cognitive and neurological disturbances in mice induced by a combined oral dose of d‐galactose and aluminum chloride (AlCl3) for 6 weeks. d‐galactose acts as a senescence agent, whereas AlCl3 is a neurotoxin and in combination generates neuropathologies and cognitive depletion resembling aging and AD. It was found that memory was markedly impaired in d‐galactose + AlCl3‐treated mice as assessed in different behavioral paradigms. Additionally, d‐galactose + AlCl3 led to neurotoxicity assessed on the basis of neuroinflammation, oxidative stress, glial cell activation, neuronal damage, and augmented GSK‐3β level in mice hippocampus. Consequently, alendronate administration orally for 15 days in d‐galactose + AlCl3‐exposed mice prominently reversed all these behavioral and neuropathological changes. These findings show that alendronate can be a potential therapeutic molecule with multiple targets for the management of age‐related neurological disorders such as AD.
In vitro evaluation of antioxidant activities of polysaccharides from the endophytic fungus Berkleasmium sp. Dzf12

Three polysaccharides namely, exopolysaccharide (EPS), water-extracted mycelial polysaccharide (WPS) and sodium hydroxide-extracted mycelial polysaccharide (SPS), were prepared from the endophytic fungus Berkleasmium sp. Dzf12 isolated from the rhizomes of Dioscorea zingiberensis, and their in vitro antioxidant activities were investigated by using 1, 1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activity, Fe3+ reducing activity, Fe2+ chelating activity, and hydroxyl radical scavenging activity assays. Among these three polysaccharides, EPS and SPS exhibited more excellent antioxidant activities, with corresponding median effective concentration (EC50) values as 61.60 µg/ml and 91.51 µg/ml by using DPPH scavenging assay, 47.82 and 63.91 µg/ml by using reducing Fe3+ assay, 53.37 and 51.27 µg/ml by using chelating Fe2+ assay, and 461.23 and 598.75 µg/ml by using hydroxyl radical scavenging assay, respectively. The results suggested that the polysaccharides, EPS and SPS from the endophytic fungusBerkleasmium sp. Dzf12 could be considered as a promising potential source for the development of natural antioxidants. Key words: Polysaccharides, preparation, in vitro antioxidant activity, endophytic fungus,Berkleasmium sp. Dzf12, Dioscorea zingiberensis.
Relationships Between Oral-Mucosal Pressure Ulcers, Mechanical Conditions, and Individual Susceptibility in Intubated Patients Under Intensive Care: A PCR-Based Observational Study

Purpose: This study was performed to determine the relationship between oral-mucosal pressure ulcer (PU) stage and mechanical conditions and individual susceptibility in intubated patients. Methods: We collected 80 patient-days data from an intensive care unit of a 700-bed hospital in Korea. We analyzed oral-mucosal PUs, medical records, amount of saliva, and oral mucosal swabs. Bacterial abundance was enumerated by real-time polymerase chain reaction. The χ2 or Fisher’s exact test, t-test or Mann-Whitney U test, and Spearman’s rho correlation analysis were performed. Results: The incidence of overall oral-mucosal PUs was 31.3%, and in the maxillary and mandibular sites were 16.3% and 26.3%, respectively. There were significant correlations between the maxillary site PU stage and restraint use (r = .43, p < .001), albumin level (r = −.22, p = .046), and relative abundance of P. aeruginosa (r = .45, p < .001) and S. aureus (r = −.24, p = .033). In the mandibular sites, there were significant correlations between PU stage and restraint use (r = .30, p = .008), level of consciousness (r = .31, p = .005), and relative abundance of P. aeruginosa (r = .25, p = .028) and S. pneumoniae (r = .22, p = .046). Conclusions: Frequent monitoring and repositioning the mechanical pressure on the oral-mucosa could be an effective preventive strategy against the development and advancement of oral-mucosal PUs. Additionally, monitoring the oral microorganisms can prevent advanced stage oral-mucosal PUs in intubated patients.
Clinical and mycological characteristics of keratitis caused by Colletotrichum gloeosporioides: A case report and review of literature.

INTRODUCTION Colletotrichum species are well-known plant pathogens, which have been increasingly reported as the cause of keratitis or subcutaneous lesions in humans. In this study we reported a rare case of fungal keratitis from Iran and reviewed the literature. CASE PRESENTATION A 69-year-old man whose right eye was injured by herbal material was examined by slit-lamp biomicroscopy and mycology investigation of corneal scrapings was done. The grown filamentous fungal was identified as Colletotrichum gloeosporioides based on morphological characteristics and DNA sequence of the internal transcribed spacer region. The isolated strain was sensitive to amphotericin B, caspofungin, anidolafungin, micafungin, voriconazole, and relatively resistant to fluconazole, and itraconazole. Patient was successfully treated with voriconazole. CONCLUSIONS This report highlights that the early and accurate identification and therapy can helpful to management keratitis caused by C. gloeosporioides.
The Accessory Helix of Complexin Stabilizes a Partially Unzippered State of the SNARE Complex and Mediates the Complexin Clamping Function In Vivo

Abstract Spontaneous synaptic transmission is regulated by the protein complexin (Cpx). Cpx binds the SNARE complex, a coil-coiled four-helical bundle that mediates the attachment of a synaptic vesicle (SV) to the presynaptic membrane (PM). Cpx is thought to clamp spontaneous fusion events by stabilizing a partially unraveled state of the SNARE bundle; however, the molecular detail of this mechanism is still debated. We combined electrophysiology, molecular modeling, and site-directed mutagenesis in Drosophila to develop and validate the atomic model of the Cpx-mediated clamped state of the SNARE complex. We took advantage of botulinum neurotoxins (BoNTs) B and G, which cleave the SNARE protein synaptobrevin (Syb) at different sites. Monitoring synaptic depression on BoNT loading revealed that the clamped state of the SNARE complex has two or three unraveled helical turns of Syb. Site-directed mutagenesis showed that the Cpx clamping function is predominantly maintained by its accessory helix (AH), while molecular modeling suggested that the Cpx AH interacts with the unraveled C terminus of Syb and the SV lipid bilayer. The developed molecular model was employed to design new Cpx poor-clamp and super-clamp mutations and to tested the predictions in silico employing molecular dynamics simulations. Subsequently, we generated Drosophila lines harboring these mutations and confirmed the poor-clamp and super-clamp phenotypes in vivo. Altogether, these results validate the atomic model of the Cpx-mediated fusion clamp, wherein the Cpx AH inserts between the SNARE bundle and the SV lipid bilayer, simultaneously binding the unraveled C terminus of Syb and preventing full SNARE assembly.
Impact of Electronic Prescribing of Controlled Substances on Opioid Prescribing: Evidence From I-STOP Program in New York

New York’s Internet System for Tracking Over-Prescribing (I-STOP) Act, requires prescribers in the state to electronically prescribe controlled substances (EPCS). We examine the effects of this mandate on prescribing patterns of opioids for Medicare Part D beneficiaries. Using 2014-2017 CMS Medicare Part D Prescriber Data, we apply a lagged dependent variable regression approach to identify the impact of I-STOP on the prescription of opioids. In the first year of implementation, the number of opioid prescriptions per prescriber decreased by 5.7 per year. The policy had a larger effect on the prescription of short-acting opioids and on prescribers prescribing medication for predominantly younger beneficiaries. Overall, I-STOP resulted in a reduction in the number of beneficiaries being prescribed opioids and in the number of opioid claims in the state of New York, suggesting positive implications for other states intending to curtail opioid overprescribing and misuse through the use of EPCS.
SLC6A15 acts as a tumor suppressor to inhibit migration and invasion in human papillary thyroid cancer

Solute Carrier Family 6 Member 15 (SLC6A15), a sodium‐dependent neutral amino acid transporter, has been found with dysregulated expression in several kinds of cancers. However, the expression pattern and the biological functions of SLC6A15 in papillary thyroid cancer (PTC) remain unknown. In this study, we found that SLC6A15 was downregulated in PTC, which was related to N classification. Ectopic overexpression of SLC6A15 impaired migratory and invasive abilities of PTC cell in vitro. In addition, we identified intercellular adhesion molecule‐1, a vital oncogene in thyroid cancer progression, was involved in the effects of SLC6A15 on PTC cell. These results indicate that SLC6A15 acts as a tumor suppressor and might be a potential therapeutic target in the treatment of PTC.
Sleep Disruption, Fatigue, and Depression as Predictors of 6-Year Clinical Outcomes following Allogeneic Hematopoietic Cell Transplantation.

BACKGROUND Allogeneic hematopoietic cell transplantation (HCT) is a widely used treatment for hematologic cancers, with survival rates ranging from 25-78%. Known risk factors for chronic graft-versus-host disease (cGVHD), a serious and common long-term complication, disease relapse, and mortality following HCT have been identified, but much of the variability in HCT outcomes is unexplained. Biobehavioral symptoms including depression, sleep disruption, and fatigue are some of the most prevalent and distressing for patients; yet research on biobehavioral risk factors for HCT outcomes is limited. This study evaluated patient-reported depression, sleep disruption, and fatigue as risk factors for cGVHD, disease relapse, and mortality. METHODS 241 adults receiving allogeneic HCT for a hematologic malignancy completed self-report measures of depression symptoms, sleep quality, and fatigue (severity, interference) pre-HCT and 100 days post-HCT. Clinical outcomes were monitored for up to 6 years. RESULTS Cox proportional hazard models (two-tailed) adjusting for patient demographic and medical characteristics revealed that high pre-HCT sleep disruption (Pittsburgh Sleep Quality Index >9; hazard ratio [HR] = 2.74, 95% confidence interval [CI] = 1.27 to 5.92) and greater post-HCT fatigue interference (HR = 1.32, 95% CI = 1.05 to 1.66) uniquely predicted increased risk of mortality. Moderate pre-HCT sleep disruption (The Pittsburgh Sleep Quality Index 6-9) predicted increased risk of relapse (HR = 1.99, 95% CI = 1.02 to 3.87). Biobehavioral symptoms did not predict cGVHD incidence. CONCLUSIONS Biobehavioral symptoms, particularly sleep disruption and fatigue interference, predicted an increased risk for 6-year relapse and mortality after HCT. As these symptoms are amenable to treatment, they offer specific targets for intervention to improve HCT outcomes.
Synthesis and Characterization of Novel Well‐Defined End‐Functional Macrophotoinitiator of Poly(MMA) by ATRP

A new monofunctional atom transfer radical polymerization (ATRP) initiator was synthesized by the condensation of 2‐bromopropanoyl bromide with 1‐hydroxycyclohexyl phenyl ketone (HCPK), Irgacure 184 and characterized. The ATRP of methyl methacrylate (MMA) in dry toluene at 90°C by means of this initiator in conjunction with a cuprous complex Cu(I)Cl/bipyridine (bpy) yields poly(MMA) with a photoactive alkoxy phenyl ketone end group. The gel permeation chromatography (GPC) and IR, H‐NMR, UV, and fluorescence spectroscopic studies revealed that low‐polydispersity poly(MMA) with photoinitiator functionality at the end of the chain was obtained. The obtained end‐functional PMMA macrophotoinitiator was used in photoinduced free radical polymerization of styrene (St) to produce PMMA‐b‐PSt upon irradiation via α‐cleavage of the incorporated phenyl ketone end group. This block copolymer was characterized by GPC and H‐NMR measurements.