syedzayyan/paper_mill_benchmark huggingface dataset:
Regulation of miR-128 in the nucleus accumbens affects methamphetamine-induced behavioral sensitization by modulating proteins involved in neuroplasticity.

Methamphetamine (meth) -induced behavioral sensitization depends on long-term neuroplasticity in the mesolimbic dopamine system, especially in the nucleus accumbens (nac).Mi r-128, a brain enriched mi rna, was found to have abilities in regulating neuronal excitability and formation of fear-extinction memory.Here, we aim to identify the role of mi r-128 on meth-induced locomotor sensitization of male mice.We identified a significant increase of mi r-128 in the nac of mice upon repeated-intermittent meth exposure but not acute meth administration.Microinjection of adeno-associated virus (aav)-mi r-128 over-expression and inhibition constructs into the nac of mice resulted in enhanced meth-induced locomotor sensitization and attenuated effects of meth respectively.Isobaric tags for relative and absolute quantification (i traq) technology and ingenuity pathway analysis (ipa) were carried out to uncover the potential molecular mechanisms underlying mi r-128-regulated meth sensitization.Differentially expressed proteins, including 25 potential targets for mi r-128 were annotated in regulatory pathways that modulate dendritic spines, synaptic transmission and neuritogenesis.Of which, arf6, cpeb3 and nlgn1, were found to be participating in mi r-128-regulated meth sensitization.Consistently, meth-induced abnormal changes of arf6, cpeb3 and nlgn1 in the nac of mice were also detected by q pcr and validated by western blot analysis.Thus, mi r-128 may contribute to meth sensitization through controlling neuroplasticity.Our study suggested mi r-128 was an important regulator of meth- induced sensitization and also provided the potential molecular networks of mi r-128 in regulating meth-induced sensitization.

Journal: Addiction biology (2021)
Publication types: Journal Article
Molecular Dynamics Simulation of the Influence of External Electric Fields on the Glass Transition Temperature of the Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide.

We present the results of molecular dynamics simulations of the ionic liquid (il) 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [c2c1im][ntf2] in the presence of external electric fields (eefs) of varying strengths to understand the effects of eefs on the glass transition temperature tg.We compute tgwith an automated and objective method and observe a depression in tgwhen cooling the il within an eef above a critical strength.The effect is reversible, and glasses prepared with eefs recover their original zero-field tgwhen heated.By examining the dynamics and structure of the liquid phase, we find that the eef lowers the activation energy for diffusion, reducing the energetic barrier for movement and consequently tg.We show that the effect can be leveraged to drive an electrified nonvapor compression refrigeration cycle.

Journal: The journal of physical chemistry. B (2023)
Publication types: Journal Article
Risk Factors Affecting Development and Persistence of Preschool Wheezing: Consensus Document of the Emilia-Romagna Asthma (ERA) Study Group.

Wheezing at preschool age (i.e., before the age of six) is common, occurring in about 30% of children before the age of three.In terms of health care burden, preschool children with wheeze show double the rate of access to the emergency department and five times the rate of hospital admissions compared with school-age asthmatics.The consensus document aims to analyse the underlying mechanisms involved in the pathogenesis of preschool wheezing and define the risk factors (i.e., allergy, atopy, infection, bronchiolitis, genetics, indoor and outdoor pollution, tobacco smoke exposure, obesity, prematurity) and the protective factors (i.e., probiotics, breastfeeding, vitamin d, influenza vaccination, non-specific immunomodulators) associated with the development of the disease in the young child.A multidisciplinary panel of experts from the emilia-romagna region, italy, addressed twelve key questions regarding managing preschool wheezing.Clinical questions have been formulated by the expert panel using the pico format (patients, intervention, comparison, outcomes).Systematic reviews have been conducted on pub med to answer these specific questions and formulate recommendations.The grade approach has been used for each selected paper to assess the quality of the evidence and the degree of recommendations.Based on a panel of experts and extensive updated literature, this consensus document provides insight into the pathogenesis, risk and protective factors associated with the development and persistence of preschool wheezing.Undoubtedly, more research is needed to improve our understanding of the disease and confirm the associations between certain factors and the risk of wheezing in early life.In addition, preventive strategies must be promoted to avoid children's exposure to risk factors that may permanently affect respiratory health.

Journal: Journal of clinical medicine (2022)
Publication types: Journal Article
Theoretical insights into the reaction mechanisms between 2,3,7,8-tetrachlorodibenzofuran and the methylidyne radical.

To explore the potential role of the methylidyne radical (ch) in the transformation of 2,3,7,8-tetrachlorodibenzofuran (tcdf), in this study, the detailed reaction mechanisms between tcdf and ch radical have been systematically investigated employing the b3lyp method of density functional theory (dft) in combination with the atoms in molecules (aim) theory andab initiomolecular dynamics.It was found that the title reaction is a multi-channel reaction,i.e., the ch radical can attack the c-x (x = c, cl, h, o) bonds of tcdfviathe insertion modes, resulting in the formation of 13 products.Thermodynamically, the whole reaction processes are exothermic and spontaneous since all the enthalpy and gibbs free energy changes are negative values in the formation processes.Moreover, the thermodynamic stability of the products is controlled by the distribution of the single unpaired electron.Kinetically, the most favorable reaction channel is the insertion of the ch radical into the c-c bond except for the c atoms attached to the chlorine atom.Moreover, the dominant products have been further confirmed by the molecular dynamics.Meanwhile, the ir spectra and hyperfine coupling constants of the dominant products have been investigated to provide helpful information for their identification experimentally.In addition, the reactivity of the ch radical toward the f- and br-substituted tcdfs has also been investigated.Expectedly, the present findings can enable us to better understand the reactivity of the ch radical toward organic pollutants analogous to tcdf in the atmosphere.

Journal: RSC advances (2018)
Publication types: Journal Article
gc-ims-tools - A new Python package for chemometric analysis of GC-IMS data.

Due to its high sensitivity and resolving power, gas chromatography ion mobility spectrometry (gc-ims) is an emerging benchtop technique for non-target screening of complex sample materials.Given the wide range of applications, such as food authenticity, custom data analysis workflows are needed.As a common basis, they necessarily share many functionalities such as file input/output, preprocessing methods, exploratory or supervised analysis and visualizations.This study introduces a new open source, fully customizable python package for handling and analysis of gc-ims data.A workflow to classify olive oils by geographical origin exemplarily demonstrates functionality and ease of use.Key preprocessing steps, exploratory - and supervised data analysis and feature selections are visualized.All code and detailed documentation are freely available as open source under the bsd 3-clause license at

Journal: Food chemistry (2022)
Publication types: Journal Article
Regiocontrolled Dimerization of Densely Functionalized 1,6-Dihydropyridines for the Biomimetic Synthesis of a Halicyclamine-type Scaffold by Preventing Disproportionation.

The biomimetic dimerization of 1,6-dihydropyridines (dhps) remains a daunting challenge due to competitive disproportionation pathways.Herein we report the regioselective dimerization of densely functionalized 1,6-dhps that allow direct access to the bis-nitrogen bicyclic scaffold of halicyclamines.Disproportionation triggered by the hydride shift of 1,6-dhp was suppressed by the use of geminal disubstituted substrates.Installation of an electron-withdrawing substituent at the c3 position was demonstrated to be crucial for facilitating biomimetic dimerization under metal-free conditions, with exquisite control of regioselectivity at ambient temperature.Our approach, featuring an appropriately functionalized and substantially stabilized substrate rather than merely adopting the highly reactive and labile hypothetical biosynthetic intermediate, allowed gram-scale and atom-economical synthesis of the bis-nitrogen bicyclic scaffold.Furthermore, conversion of a series of 1,6-dhps provided mechanistic insights by circumventing the competitive disproportionation reaction.This revealed not only the innate reactivity of the conjugate diene system for [4 + 2] cycloaddition but also the reversibility of the dimerization reaction with multiple cationic intermediates in equilibrium.

Journal: The Journal of organic chemistry (2022)
Publication types: Journal Article;Research Support, Non-U.S. Gov't
Post-Proline Cleaving Enzymes (PPCEs): Classification, Structure, Molecular Properties, and Applications.

Proteases or peptidases are hydrolases that catalyze the breakdown of polypeptide chains into smaller peptide subunits.Proteases exist in all life forms, including archaea, bacteria, protozoa, insects, animals, and plants due to their vital functions in cellular processing and regulation.There are several classes of proteases in the merops database based on their catalytic mechanisms.This review focuses on post-proline cleaving enzymes (ppces) from different peptidase families, as well as prolyl endoprotease/oligopeptidase (pep/pop) from the serine peptidase family.To date, most ppces studied are of microbial and animal origins.Recently, there have been reports of plant ppces.The most common pep/pop are members of the s9 family that comprise two conserved domains.The substrate-limiting β-propeller domain prevents unwanted digestion, while the α/β hydrolase catalyzes the reaction at the carboxyl-terminal of proline residues.Ppces display preferences towards the pro-x bonds for hydrolysis.This level of selectivity is substantial and has benefited the brewing industry, therapeutics for celiac disease by targeting proline-rich substrates, drug targets for human diseases, and proteomics analysis.Protein engineering via mutagenesis has been performed to improve heat resistance, pepsin-resistant capability, specificity, and protein turnover of ppces for pharmacological applications.This review aims to synthesize recent structure-function studies of ppces from different families of peptidases to provide insights into the molecular mechanism of prolyl cleaving activity.Despite the non-exhaustive list of ppces, this is the first comprehensive review to cover the biochemical properties, biological functions, and biotechnological applications of ppces from the diverse taxa.

Journal: Plants (Basel, Switzerland) (2022)
Publication types: Journal Article;Review
The impact of bedtime technology use on sleep quality and excessive daytime sleepiness in adults.

S there have only been a few studies on electronic device use and sleep in adult populations, so we sought to investigate the impact of bedtime technology use on sleep quality and excessive daytime sleepiness (eds) through a population-wide survey of saudi arabian adults.Material and methods this cross-sectional survey of 10,106 saudi arabian adults gathered data on the number and frequency of electronic device use (smartphones, tablets, computers, televisions, radios, and music players) at bedtime, sleep quality, and eds as measured by the epworth sleepiness scale.Associations between electronic device number and frequency of use and sleep-related outcomes were evaluated using binary logistic regression.Results twenty-eight percent and 9.7% of respondents reported "fairly" or "very bad" sleep quality in the preceding month, respectively.95.1% of respondents had smartphones in their bedrooms, which were used regularly (a few nights a week, every or almost every night) by 80.7% of respondents.The number of devices in the bedroom had little effect on sleep quality parameters and eds, but regular use of almost all devices was associated with "bad" or "very bad" sleep quality (odds ratios (ors) 1.32-2.12); smartphone or tablet use was associated with sleep latency >30 minutes (smartphones or 1.98, 95% ci: 1.51-2.60; p<0.0001; tablets or 1.44, 95% ci: 1.05-1.99; p<0.05).Electronic device use was associated with a 1.3-1.9-fold risk of moderate to severe eds.Discussion this large study strengthens the limited evidence in adults that electronic device use during bedtime usually reserved for sleep impacts sleep quality.Sleep hygiene advice must be updated to include limiting electronic device use in the bedroom.

Journal: Sleep science (Sao Paulo, Brazil) (2022)
Publication types: Journal Article
Canrenone Restores Vasorelaxation Impaired by Marinobufagenin in Human Preeclampsia.

Previous studies implicated cardiotonic steroids, including na/k-atpase inhibitor marinobufagenin (mbg), in the pathogenesis of preeclampsia (pe).Recently, we demonstrated that (i) mbg induces fibrosis in rat tissues via a mechanism involving fli1, a negative regulator of collagen-1 synthesis, and (ii) mbg sensitive na/k-atpase inhibition is reversed by mineralocorticoid antagonists.We hypothesized that in human pe elevated mbg level is associated with the development of fibrosis of the umbilical arteries and that this fibrosis can be attenuated by canrenone.Fifteen patients with pe (mean bp = 118 ± 4 mm hg; 34 ± 2 years; 38 ± 0.3 weeks gest.Age) and twelve gestational age-matched normal pregnant subjects (mean bp = 92 ± 2 mm hg; 34 ± 1 years; 39 ± 0.2 weeks gest.Age) were enrolled in the study.Pe was associated with a higher plasma mbg level, with a four-fold decrease in fli1 level and a three-fold increase in collagen-1 level in the pe umbilical arteries vs.Those from the normal subjects (p < 0.01).Isolated rings of umbilical arteries from the subjects with pe exhibited impaired responses to the relaxant effect of sodium nitroprusside vs.Control vessels (ec50 = 141 nmol/l vs.Ec50 = 0.9 nmol/l; p < 0.001).The effects of pe on fli1 and collagen-1 were blocked by the in vitro treatment of umbilical arteries by 10 μmol/l canrenone.Similar results were obtained for umbilical arteries pretreated with mbg.These data demonstrate that elevated mbg level is implicated in the development of the fibrosis of umbilical arteries in pe, and that this could be blocked by mineralocorticoid antagonists.

Journal: International journal of molecular sciences (2022)
Publication types: Journal Article
High Biocompatible Poly(lactic-co-glycolic acid)-Based Nanosensitizer With Magnetic Resonance Imaging Capacity for Tumor Targeted Microwave Hyperthermia and Chemotherapy.

Microwave (mw) hyperthermia has been widely studied in tumor therapy, while the lack of specificity, and the potential toxicity induced by instability or difficulty in degradation of existed mw thermal sensitizers still limits the application.Herein, a new biocompatible poly(lactic-co-glycolic acid) (plga)-based nanosensitizer of dtxl-gd@plga-peg-tpp (dgppt) with capacities of magnetic resonance (mr) imaging and mitochondrial targeting for mw hyperthermia combined with chemotherapy was constructed via a double emulsion solvent evaporation method.The modified tpp significantly enhanced the specificity of sensitizer for targeting mitochondria, a heat-sensitive energy supply plant in cells.Thus the mw thermal damage induced by the loaded gd in plga nanospheres was also strengthened.Together, the system could also achieve mr imaging due to the existence of gd.In addition, the encapsulated dtxl performed the chemotherapy of inhibiting mitochondrial function for assisting with mw hyperthermia.in vivoexperiments demonstrated that plga had high biocompatibility that no obvious damage occurred even the dose was up to 200 mg/kg.Meanwhile, dgppt+mw representing the combination of mitochondrial targeting and mw hyperthermia-chemotherapy has also been proved to shrink tumor size effectively.This study provides a new direction for building biosafe and multifunctional mw sensitizer with active targeting ability to impede tumor growth.

Journal: Journal of biomedical nanotechnology (2022)
Publication types: Journal Article
Chiral spiral cyclic twins.

A formula is presented for the generation of chiral m-fold multiply twinned two-dimensional point sets of even twin modulus m > 6 from an integer inclination sequence; in particular, it is discussed for the first three non-degenerate cases m = 8, 10, 12, which share a connection to the aperiodic crystallography of axial quasicrystals exhibiting octagonal, decagonal and dodecagonal long-range orientational order and symmetry.

Journal: Acta crystallographica. Section A, Foundations and advances (2022)
Publication types: Journal Article
Qualitative Evaluation of the STOEMP Network in Ghent: An Intersectoral Approach to Make Healthy and Sustainable Food Available to All.

The stoemp network is, to our knowledge, one of the first initiatives to bring different sectors together in a municipality so as to increase accessibility to healthy and sustainable foods for all, with particular attention for the disadvantaged population.This qualitative study aimed to gain an in-depth insight into how the stoemp network aims to reach its goal of making healthy, sustainable food available to everyone, through an intersectoral, collaborative process, exploring the facilitators and challenges of taking a systems-oriented approach to achieving this.Interviews were conducted among 15 stakeholders of the stoemp network between march-july 2019 in ghent (belgium).Factors that facilitated the development and work of the network are reported, including having an external, neutral process manager, shared values, multisector engagement, enthusiasm, resources, and sense of ownership, as well as the barriers that were faced, such as time issues, uncertainty regarding continuation and funding, and discrepancy in visions.These issues reflect the strengths and challenges of taking a systems approach that aims to formulate solutions to widening access to healthy and sustainable foods.Stoemp would like to influence policy and thereby strengthen its impact, but needs further discussions to collectively formulate exact needs.

Journal: International journal of environmental research and public health (2020)
Publication types: Journal Article;Research Support, Non-U.S. Gov't
Cross-lagged relationship between home numeracy practices and early mathematical skills among Chinese young children.

The present study examined the cross-lagged relationship between home numeracy practices (e.g., formal teaching, number games, and number application) and early mathematical skills (basic number processing, and arithmetic skills) among chinese young children.A total of 155 children (82 boys; mean age = 67.49 months, sd = 3.58 months) were assessed with basic number processing and arithmetic skills at three timepoints during the kindergarten year, and their parents reported the frequency of parent-child numeracy activities.Main results from random-intercept cross-lagged panel models showed that, at the within-family level, earlier basic teaching activities uniquely predicted subsequent basic number processing, while both advanced teaching activities and number game activities at earlier timepoints predicted the following arithmetic skills.These results indicated a unidirectional effect from home numeracy practices on early mathematical skills during the early years.

Journal: Frontiers in psychology (2022)
Publication types: Journal Article
The Value of Numerical USMLE Step 1 Scores in Radiology Resident Selection.

Rationale and objectives in response to a recent proposal to change scoring on the united states medical licensing (usmle) step 1 exam to pass/fail, we sought to determine the value of numerical step 1 scores in predicting success in our radiology residency program.Materials and methods residency applications for 157 residents entering the program between 2005 and 2017 were retrospectively reviewed.Biographical (gender, sports participation, advanced degree), undergraduate (school, major), and medical school (grades, usmle step 1 score, alpha omega alpha membership, letters of recommendation, publications) data were recorded.Multivariate regression analysis was used to examine the relationship between these application factors and subsequent performance as a radiology resident, as determined by completion of the program without requiring corrective action, select accreditation council for graduate medical education milestones, and selection as chief resident.Results corrective action was required for 7% (n = 12) of residents.Of the predictor variables, only step 1 score was associated with the need for corrective action (p < 0.001).The interpretation of exams milestone was associated with higher step 1 scores (p = 0.001) and number of medical school clerkship honors (p = 0.008).Selection as chief resident was associated with sports participation (p = 0.04), and clerkship honors (p = 0.02).Conclusion numerical usmle step 1 scores are predictive of successful completion of radiology residency training without the need for corrective action, and of accelerated competence in the interpretation of exams milestone.Continued reporting of numerical step 1 scores would be valuable in selection of radiology residents.

Journal: Academic radiology (2020)
Publication types: Journal Article
Efficient Spin Selectivity in Self-Assembled Superhelical Conducting Polymer Microfibers.

Chiral materials, natural or synthetic, have been widely studied since pasteur's separation of enantiomers over a century ago.The connection between electron transmission and chirality was, however, established recently where one spin was preferably selected by the chiral molecules, displaying a typical chirality-induced spin selectivity (ciss) effect.Currently, this ciss effect was mainly demonstrated in the molecular-scale devices.Herein, we explored this effect in a microscale device where an efficient spin selectivity was found in the self-assembled superhelical conducting polyaniline (pani) microfibers.A spin-selective efficiency up to 80% (not magnetoresistance) was achieved when spins traversed theca.2-6 μm-long helical channels at room temperature.Importantly, the long-range ordering of chiral pani molecules is crucial to observe this efficient spin selectivity, whereas no selective transmission was found in the "amorphous" chiral panis.This efficient spin selectivity was subsequently rationalized by using an extended su-schrieffer-heeger model where the rashba spin-orbit coupling was considered.We expect these results could inspire the research of organic spintronics by using molecularly ordered, self-assembled, and chiral π-conjugated materials.

Journal: ACS nano (2020)
Publication types: Journal Article