Miracle-dz/UniFAR-FTUs huggingface dataset:
Virtual screening and repurposing of FDA-approved drugs from ZINC database to identify potential autophagy inhibitors exploiting autophagy related 4A cysteine peptidase as a target: potential as novel anti-cancer molecule.

Abstract Cancer cells utilize extensive autophagy in effort to adapt to high metabolic stress. This indicates that impairing the high autophagic flux might be an attractive target for cancer therapy. Autophagy related gene 4A (ATG4A) is a key player for autophagy and its inhibition may help in tumor clearance. The present study aims to screen candidate drugs from FDA-approved drugs, a subset of Zinc database, to identify potential ATG4A inhibitors that may have anti-cancer activity. Computer aided drug design approach was applied for the study using the virtual screening tools Raccoon and MGLTools-1.5. 6. We have identified the drug Lumacaftor as a potent inhibitor of ATG4A on the basis of computational approaches viz. molecular docking, molecular dynamics simulation and MM/PBSA method. The drug is likely to be a potent regimen candidate to be used as an anti-cancer molecule. However, this potent inhibitor against ATG4A as anti-cancer molecule needs further investigation and validation. Communicated by Ramaswamy H. Sarma
Occupations Associated With Poor Cardiovascular Health in Women

Supplemental Digital Content is available in the text Introduction: Research on the effect of occupation on cardiovascular health (CVH) among older women is limited. Methods: Each of the seven American Heart Association's CVH metrics was scored as ideal (1) or non-ideal (0) and summed. Multivariable logistic regression was used to estimate the odds of poor overall CVH (CVH score of 0 to 2) comparing women employed in each of the top 20 occupational categories to those not employed in that category, adjusting for age, marital status, and race/ethnicity. Results: (1) Bookkeeping, accounting, and auditing clerks; (2) first-line supervisors of sales workers; (3) first-line supervisors of office and administrative support workers; and (4) nursing, psychiatric, and home health aides were more likely to have poor overall CVH compared to women who did not work in these occupations. Conclusions: Several commonly held occupations among women were associated with poor CVH.
What YouTube narratives reveal about online support, counseling entrance, and how Black Americans manage depression symptomatology

ABSTRACT This manuscript explores the depression disease management of Black Americans (N = 50) who post their experiences on YouTube. The narratives garnered five themes: (1) personal and national histories as a barrier to treatment and contributor to depression, (2) utilizing the social network as informal counseling and as the catalyst for formal counseling, (3) long-term undiagnosed depression management and mismanagement, (4) advocating to destigmatize and treat depression, and (5) positive experiences initiating and engaging in treatment. Novel findings include how participants discuss narratives in third person, the importance of the Youtube community, and advocacy to destigmatize and treat depression.
Repeat catheter ablation for recurrent atrial fibrillation: Electrophysiologic findings and clinical outcomes

Atrial fibrillation (AF) ablation is successful in 60%–80% of optimal candidates, with many patients requiring repeat procedures. We performed a detailed examination of electrophysiologic findings and clinical outcomes associated with first repeat AF ablations in the era of contact force‐sensing radiofrequency (RF) catheters.
Congenital cervical spine malformation due to bi‐allelic RIPPLY2 variants in spondylocostal dysostosis type 6

RIPPLY2 is an essential part of the formation of somite patterning during embryogenesis and in establishment of rostro‐caudal polarity. Here, we describe three individuals from two families with compound‐heterozygous variants in RIPPLY2 (NM_001009994.2): c.238A > T, p.(Arg80*) and c.240‐4 T > G, p.(? ), in two 15 and 20‐year‐old sisters, and a homozygous nonsense variant, c.238A > T, p.(Arg80*), in an 8 year old boy. All patients had multiple vertebral body malformations in the cervical and thoracic region, small or absent rib involvement, myelopathies, and common clinical features of SCDO6 including scoliosis, mild facial asymmetry, spinal spasticity and hemivertebrae. The nonsense variant can be classified as likely pathogenic based on the ACMG criteria while the splice variants must be classified as a variant of unknown significance. With this report on two further families, we confirm RIPPLY2 as the gene for SCDO6 and broaden the phenotype by adding myelopathy with or without spinal canal stenosis and spinal spasticity to the symptom spectrum.
An Evolutionary Metaheuristic for the 2 D Guillotine Cut Problem

The two-dimension guillotine cut is actually one of the most interesting problems in modern industries like metallurgic, textile, wooden. in which it’s needed to cut sheets in pieces with an associated dimensions and benefits in the way to maximize the final benefit. The purpose of this work is to present an evolutionary metaheuristic for the two-dimension cut problem using guillotine, also it’s shown how this approach can be applied to solve these types of problems, it’s compared with other exact algorithms and finally it’s defined an evolutionary representation which may be used with different metaheuristics.
Benzoxazole Resin: A Novel Class of Thermoset Polymer via Smart Benzoxazine Resin

Among the wide list of known high performance polymers, polybenzoxazoles (PBOs) have gained a prominent position as the most heat-resistant polyheterocyclic polymer. Nonetheless, PBOs have found applications in a rather restricted variety of technologies, mainly in the form of fibers. Herein, we report our pioneering work for producing cross-linked polybenzoxazole via a novel route using recently developed smart class of benzoxazine resins as precursors. This class of benzoxazines incorporates multiple smart features all in one molecule. The most attractive feature is its structural transformation into a more thermally stable cross-linked polybenzoxazole without the harmful consequences of traditional polybenzoxazole synthesis, such as the use of poly(phosphoric acid) as solvent. By this smart conversion, the flame-retardant oxazole moieties are successfully incorporated into the network structure. Further advantages of this new route for cross-linked polybenzoxazoles include outstanding flexibility in mo.
Comparison of ultrasound and carcass measures as predictors of ham composition

The objective of this study was to compare ultrasound and carcass m~asures as predictors of ham composition. Data from six hundred twenty-four pigs representing six commercial genetic types in the Quality Lean Growth Modeling Project conducted by the National Pork Producers Council were used to develop live animal ultrasound and carcass measurement prediction equations for ham composition. The project included three replications, and four diet programs within each replication. Pigs were weighed and a crosssectional 10th rib scan was taken bior tri-weekly until pigs reached one of three designated market points (114, 132, 150kg). Six body scans were taken on the market weight pigs on their right side within five days prior to slaughter. The images were captured with the ALO KA 500V (Corometrics Medical Systems, Wallingford, CT) real-time ultrasonic machine fitted with a 12.5 cm, 3.5 Mhz linear array transducer. There were three longitudinal scans at the 5th, 10th and last rib. The transducer was aligned horizontal to the spine, 5 cm off the dorsal mid-line. A 10th rib cr~ss-sectional scan was taken perpendicular· to the spine between the 10th and 11th rib. A ham scan was obtained with the probe being placed on the transverse plane on the outside oftp.e ham approximately half the distance from
Raman and infrared spectroscopic study of the molecular characterization of the biocompatibility of prosthetic biomaterials

Raman spectra were obtained directly in a non-destructive and non-invasive way from the biomaterials PMMA [poly(methyl methacrylate)], HDPE (high-density polyethylene), α-Al2O3 (alumina) and HA (hydroxyapatite) constituting the components (bone cement, acetabular cup, ball and stem coated with ceramic) of a hip prosthesis. The aim was to give an objective contribution at a molecular level to predict their biocompatibility. In particular, Raman spectra of explanted PMMA bone cements do not show the 1640 cm−1 band due to the stretching mode of CC unsaturated centres. Moreover, conformational changes of PMMA following the implant appear in the spectra in the range 1100-500 cm−1, where conformational marker bands at 985, 968, 601 and 565 cm−1 are present. The limited number of HDPE explanted acetabular cups did not allow unequivocal Raman results to be obtained by means of band deconvolution in the region between 1500 and 1000 cm−1, regarding the changes in the crystalline, amorphous and interfacial contents of the acetabular cup surfaces following the implant. α-Al2O3 proved to be a ceramic with good biocompatibility as a biomaterial constituting a hip prosthesis. As regards the stem coating, Raman and Fourier transform IR spectra of HA pre-coating and HA coating on metal implants show spectroscopic modifications due to structural and chemical changes with formation of other calcium phosphates. The development of new bioactive coatings containing precursors of bone growth and able to promote osteogenesis is outlined.
Towards precision nanomedicine for cerebrovascular diseases with emphasis on Cerebral Cavernous Malformation (CCM)

ABSTRACT Introduction: Cerebrovascular diseases encompass various disorders of the brain vasculature, such as ischemic/hemorrhagic strokes, aneurysms, and vascular malformations, also affecting the central nervous system leading to a large variety of transient or permanent neurological disorders. They represent major causes of mortality and long-term disability worldwide, and some of them can be inherited, including Cerebral Cavernous Malformation (CCM), an autosomal dominant cerebrovascular disease linked to mutations in CCM1/KRIT1, CCM2, or CCM3/PDCD10 genes. Areas covered: Besides marked clinical and etiological heterogeneity, some commonalities are emerging among distinct cerebrovascular diseases, including key pathogenetic roles of oxidative stress and inflammation, which are increasingly recognized as major disease hallmarks and therapeutic targets. This review provides a comprehensive overview of the different clinical features and common pathogenetic determinants of cerebrovascular diseases, highlighting major challenges, including the pressing need for new diagnostic and therapeutic strategies, and focusing on emerging innovative features and promising benefits of nanomedicine strategies for early detection and targeted treatment of such diseases. Expert opinion: Specifically, we describe and discuss the multiple physico-chemical features and unique biological advantages of nanosystems, including nanodiagnostics, nanotherapeutics, and nanotheranostics, that may help improving diagnosis and treatment of cerebrovascular diseases and neurological comorbidities, with an emphasis on CCM disease.
Two-dimensional taxonomy of internet addiction and assessment of smartphone addiction with diagnostic criteria and mobile apps

Abstract A recent review by Montag et al. raised a taxonomical argument about internet addiction. We propose a two-dimensional taxonomy of internet addiction by both the device and the content as the solution. For the assessment of smartphone addiction, measurements should be based on functional impairment and validated by diagnostic criteria rather than solely on self-reported questionnaires. We detail the potential of mobile applications (apps) to improve the assessment of smartphone addiction. App-generated indicators could fulfill the unmet need of assessment of smartphone addiction and facilitate future assessment and treatment planning of smartphone addiction.
False Positive Results With SARS-CoV-2 RT-PCR Tests and How to Evaluate a RT-PCR-Positive Test for the Possibility of a False Positive Result

ht © 2021 American Colle Disclosures: G.D. B. : Consultant t Company. L.S. and P.H. : Employees of Company. J.F. : Consultant to SAG-AFTRA Funding Source: None specifica script. The data reported from Company was generated from testing program in place at th studios and TV productions. Address correspondence to: Gle MD, 9 Chatham Ct. , Newport (Glenn.braunstein@cshs.org) Copyright 2021 American C tional and Environmental Me DOI: 10.1097/JOM.00000000000
Parent-child attachment and good behavior habits among Chinese children: Chain mediation effect of parental involvement and psychological Suzhi

This study examines the mediation effect of parental involvement and psychological Suzhi between the relationship of parent-child attachment and good behavior habits in Chinese children. The participants comprised 563 children from four Chinese kindergartens (4.41±0.96) whose parents reported measures of parent-child attachment, parental involvement, psychological Suzhi, and good behavior habits in their children. The results indicated that (1) Parental attachment, parental involvement and psychological Suzhi were positively correlated with good behavior habits of young children; (2) Parental involvement and psychological Suzhi mediated the relationship between parent-child attachment and good behavior habits in children separately; (3) Parent-child attachment indirectly affected children’s good behavior habits through the path of “parental involvement and psychological Suzhi. ”
Mechanistic Modeling of SARS‐CoV‐2 and Other Infectious Diseases and the Effects of Therapeutics

Modern viral kinetic modeling and its application to therapeutics is a field that attracted the attention of the medical, pharmaceutical, and modeling communities during the early days of the AIDS epidemic. Its successes led to applications of modeling methods not only to HIV but a plethora of other viruses, such as hepatitis C virus (HCV), hepatitis B virus and cytomegalovirus, which along with HIV cause chronic diseases, and viruses such as influenza, respiratory syncytial virus, West Nile virus, Zika virus, and severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), which generally cause acute infections. Here we first review the historical development of mathematical models to understand HIV and HCV infections and the effects of treatment by fitting the models to clinical data. We then focus on recent efforts and contributions of applying these models towards understanding SARS‐CoV‐2 infection and highlight outstanding questions where modeling can provide crucial insights and help to optimize nonpharmaceutical and pharmaceutical interventions of the coronavirus disease 2019 (COVID‐19) pandemic. The review is written from our personal perspective emphasizing the power of simple target cell limited models that provided important insights and then their evolution into more complex models that captured more of the virology and immunology. To quote Albert Einstein, “Everything should be made as simple as possible, but not simpler,” and this idea underlies the modeling we describe below.
Solid‐Phase Microextraction (SPME) followed by On‐Fiber Derivatization of Solasodine and Solanidine Aglycones of Steroidal Glycoalkaloids

Abstract Solid‐phase microextraction (SPME), followed by on‐fiber derivatization was investigated for the analysis of the steroidal glycoalkaloid aglycones, solasodine and solanidine. The aglycones were first extracted by direct immersion of the SPME fiber in the sample medium and then derivatized on the fiber in a separate step using 1‐(trimethylsilyl)imidazole (TMSI). The derivatized compounds were then desorbed from the SPME fiber and detected by GC‐MS. Polydimethylsiloxane/Divinylbenzene (PDMS‐DVB), Carboxen/Polydimethylsiloxane (CAR‐PDMS), and Carbowax/Divinylbenzene (CW‐DVB) fibers were employed with the CW‐DVB fibers being the most successful, as expected. Closed‐end capillary tubes were used to hold the extraction media. Both aglycones were successfully extracted, derivatized, and detected by GC‐MS. Solasodine always required derivatization, but solanidine did not. The same method was successfully applied to cholesterol so that it could be used as an internal standard. Also, using the closed‐end capillary tubes, a two‐phase extraction system was also investigated, whereby the fiber was only exposed to the phase in which it was presumed to be less damaged. However, in all cases, fiber degradation was significant, preventing the use of extended extraction times and limiting reuse of the fibers. However, the results represent a first look into the feasibility of the method. With the development of more suitable SPME phases, this method could potentially provide a complementary route for routine determinations of glycoalkaloids for both research and food quality control.
Social and emotional loneliness among college students during the COVID-19 pandemic: The predictive role of coping behaviors, social support, and personal resilience.

OBJECTIVE To determine the influence of coping behaviors, resilience, and social support on students' emotional and social loneliness during the COVID-19 pandemic. DESIGN AND METHODS A cross-sectional research design was used to gather data from 303 college students from the Central Philippines using four standardized scales through an online survey. FINDINGS Loneliness among students was high during the coronavirus pandemic. Resilience, coping behaviors, and social support were identified as protective factors against loneliness. PRACTICE IMPLICATIONS Interventions directed toward increasing resilience, social support, and coping behaviors may help decrease emotional and social loneliness caused by the mandatory lockdown during the COVID-19 pandemic.
Solid/liquid phase equilibria in the mixtures methane + n-hexane and methane + n-pentane

Experimental phase diagrams have been obtained for the mixtures methane + n-hexane and methane + n-pentane from an analysis of their cooling curves. Both systems exhibit large positive deviations from ideality, and for methane + n-hexane a distinct flatness in the temperature against composition diagram at high methane concentrations is indicative of the close proximity of liquid/liquid immiscibility. A thermodynamic treatment of the data using an analytic equation of state confirms more quantitatively the position of this hypothetical upper critical solution point.
Yellow Gentian Root Extract Provokes Concentration- and Time-dependent Response in Peripheral Blood Mononuclear Cells

Abstract Yellow gentian (Gentiana lutea L.), a medicinal plant widely used in traditional medicine, displays multiple biological effects, ranging from beneficial to toxic. Since many promising applications have been reported so far, our aim was to evaluate its potential concentration- and time- dependent cytotoxic and genotoxic effects in vitro. To that end we exposed human peripheral blood mononuclear cells to 0.5, 1, and 2 mg/mL of yellow gentian root extract (YGRE) to determine its effects on oxidative stress parameters [pro/antioxidant balance (PAB) and lipid peroxidation], DNA damage (alkaline comet assay and chromosome aberrations), and cell viability (trypan blue exclusion test). Cell viability decreased with increasing concentrations and treatment duration. Only the lowest YGRE concentration (0.5 mg/mL) increased oxidative stress but produced minor DNA damage and cytotoxicity. At higher concentrations, redox parameters returned to near control values. The percentage of chromosome aberrations and percentage of DNA in the comet tail increased with increased YGRE concentration after 48 h and declined after 72 h of treatment. This points to the activation of DNA repair mechanism (homologous recombination), evidenced by the formation of chromosomal radial figures after 72 h of treatment with the highest YGRE concentration of 2 mg/mL. Our results suggest that YGRE, despite induction of cytotoxic and genotoxic effects, activates cell repair mechanisms that counter oxidative and DNA lesions and induce cell death in highly damaged cells. Therefore, observed protective effects of yellow gentian after longer exposure could be a result of activated repair and removal of cells with irreparable damage.
Local Raman tensors of double-helical DNA in the crystal : a basis for determining DNA residue orientations

We report the first experimental determination of Raman scattering tensors for localized base and sugar-phosphate vibrations of double-helical DNA. Argon-laser excitation was employed in combination with a multichannel Raman microscope system to measure polarized Raman scattering intensities from oriented single crystals of d(CGCGCG) in the left-handed Z conformation. The Raman measurements were made on crystals of dimensions abc=30×50×70 μm in space group P2 1 2 1 2 1 , for which the three-dimensional structure has been solved by X-ray methods 1,2
Single‐Cell Analysis in a Plastic Microfluidic Channel with a Hadamard Transform Microscopic Fluorescence Image System

Abstract In this report, a single‐channel chip fabricated with polymethylmethacrylate (PMMA) material was applied to sampling single pollen cells stained with acridine orange (AO). A home‐made Hadamard transform (HT) microscopic fluorescence image system was used to detect the fluorescence signal emitted from the cells and obtain 511 × 512‐pixel two‐dimensional image of single cells, by which single‐cell fluorescence was measured accurately and the DNA content was determined quantitatively. The single‐cell sampling and the on‐line imaging were discussed in detail. The PMMA chip, with a suitable channel approximately 100 µm in depth and 108 µm in width, was proved suitable for single‐cell sampling. The HT instrument was well matched to the on‐line imaging due to the powerful resolving ability. The reliability of the measurement was evaluated by measuring the fluorescent intensity of AO‐stained pollens in the channel for 11 times, with a coefficient of variation (CV) of 2.78%. The method was used for quantitative measurements of DNA contents in two kinds of pollens with satisfactory results, which show that the method is rapid, accurate, and reliable in single‐cell analysis.
Dielectric metamaterial particles with enhanced efficiency of mechanical/electrical energy transformation

A novel kind of metamaterial particles (MMPs) with cell-like multicores/hierarchical porous matrix have been designed and synthesized by a “one-pot” template assistant self-assembly methods, aiming to enhance the mechanical/electrical energy transformation efficiency of electrorheological (ER) fluid. The MMPs are about 8 μm in diameter and contain multiple anatase rare-earth doped titania particles of about 200 nm in diameter “embedded and distributed” into the amorphous carbon matrix. The micro/meso hierarchical porous structures were realized within the carbon matrix and calculated to be about 5.8 nm for mesopores and 1.8 nm for micropores. It was found that the efficiency of mechanical/electrical energy transformation for ER fluids based on MMPs can largely be improved up to 8 times to 156.3 from 20.1 by the doping of cerium in the titania particles.