syedzayyan/paper_mill_benchmark huggingface dataset:
Primary Bankart Repair Versus Arthroscopic Anatomic Glenoid Reconstruction in Patients with Subcritical Bone Loss: A Cost-Utility Analysis.

Anterior shoulder instability and its treatment is a quickly evolving field of interest in orthopaedics, both for patients and for health-care systems.In this study, we aimed to evaluate the cost-effectiveness of arthroscopic anatomic glenoid reconstruction (aagr) compared with bankart repair in the treatment of anterior shoulder instability in patients with subcritical glenoid bone loss.Methods a cost-utility analysis was performed from the perspective of canada's publicly funded health-care system.A decision-tree model was created to simulate the progression of patients undergoing either a primary bankart repair or aagr.Recently published data were used to determine the recurrence rate and level of glenoid bone loss for the aagr procedure; the recurrence rate was 1.4% in a cohort with a mean glenoid bone loss of 25.3%.A literature review on the primary bankart procedure in patients with at least subcritical levels of glenoid bone loss yielded a recurrence rate of 22.9% in patients with a mean glenoid bone loss of 17.5%.Aagr served as the revision surgery for both primary procedures.Health utility scores for anterior shoulder instability were obtained from published literature.Total procedure costs, including costs of operating-room consumables, anesthesia, diagnostic imaging, and rehabilitation, were sourced from a hospital database.A probabilistic sensitivity analysis using 5,000 monte carlo simulations was performed, and results were used to create a cost-effectiveness acceptability curve.Results the aagr procedure was less costly and led to an improvement in quality-adjusted life years (qalys) when compared with the arthroscopic bankart repair in the treatment of patients with anterior shoulder instability with subcritical glenoid bone loss (aagr, cost = $16,682.77 [canadian dollars] and qalys = 5.76; bankart, cost = $16,720.29 and qalys = 5.46), suggesting that the aagr is dominant, i.e., lower costs with higher qalys.Applying a commonly used willingness-to-pay threshold of $50,000 per qaly gained, the probability that the primary aagr was more cost-effective was 85.8%.Conclusions this study showed that, from the perspective of a publicly funded health-care system, aagr was the economical treatment option when compared with bankart repair in anterior shoulder instability with subcritical glenoid bone loss.Level of evidence economic and decision analysis level iii.See instructions for authors for a complete description of levels of evidence.

Journal: JB & JS open access (2021)
Publication types: Journal Article
Kernel Methods for Predicting Yields of Chemical Reactions.

The use of machine learning methods for the prediction of reaction yield is an emerging area.We demonstrate the applicability of support vector regression (svr) for predicting reaction yields, using combinatorial data.Molecular descriptors used in regression tasks related to chemical reactivity have often been based on time-consuming, computationally demanding quantum chemical calculations, usually density functional theory.Structure-based descriptors (molecular fingerprints and molecular graphs) are quicker and easier to calculate and are applicable to any molecule.In this study, svr models built on structure-based descriptors were compared to models built on quantum chemical descriptors.The models were evaluated along the dimension of each reaction component in a set of buchwald-hartwig amination reactions.The structure-based svr models outperformed the quantum chemical svr models, along the dimension of each reaction component.The applicability of the models was assessed with respect to similarity to training.Prospective predictions of unseen buchwald-hartwig reactions are presented for synthetic assessment, to validate the generalizability of the models, with particular interest along the aryl halide dimension.

Journal: Journal of chemical information and modeling (2022)
Publication types: Journal Article;Review;Research Support, Non-U.S. Gov't
Motor coordination problems and psychological distress in young adults: A test of the Environmental Stress Hypothesis.

And aims the environmental stress hypothesis (esh) has been used to examine how the relationship between poor motor coordination and psychological distress is affected by physical health and psychosocial factors.However, work applying the esh is still limited, and no studies have used this framework with adults.The current investigation aims to examine the association between motor coordination and psychological distress among emerging adults, and examine potential mediators to this relationship based on the esh.Methods 225 young adults aged 17-23 years completed a survey of motor coordination, physical activity, secondary stressors (i.e., general stress and global relationships), perceived social support, self-concept, and psychological distress.Structural equation modeling was conducted to examine mediating pathways and overall model fit.Results the final model of the esh showed good model fit (x2= 83.24, p < .01; rmsea=0.056; nnfi = 0.927; cfi = 0.954; gfi = 0.947), and indicated that the relationship between poor motor coordination and psychological distress was mediated by secondary stressors, perceived social support, and self-concept.Conclusions this study highlights the effect of poor motor coordination on psychological distress in young adults, and suggests that interventions should target psychosocial well-being, in addition to motor coordination, to prevent psychological distress.

Journal: Research in developmental disabilities (2019)
Publication types: Journal Article
Identification of Digital Health Priorities for Palliative Care Research: Modified Delphi Study.

Developments in digital health have the potential to transform the delivery of health and social care to help citizens manage their health.Currently, there is a lack of consensus about digital health research priorities in palliative care and a lack of theories about how these technologies might improve care outcomes.Therefore, it is important for health care leaders to identify innovations to ensure that an increasingly frail population has appropriate access to palliative care services.Consequently, it is important to articulate research priorities as the first step in determining how finite resources should be allocated to a field saturated with rapidly developing innovation.Objective the aim of this study is to identify research priority areas for digital health in palliative care.Methods we selected digital health trends, most relevant to palliative care, from a list of emerging trends reported by a leading institute of quantitative futurists.We conducted 2 rounds of the delphi questionnaire, followed by a consensus meeting and public engagement workshop to establish a final consensus on research priorities for digital technology in palliative care.We used the views of public representatives to gain their perspectives on the agreed priorities.Results a total of 103 experts (representing 11 countries) participated in the first delphi round.Of the 103 experts, 55 (53.3%) participated in the second round.The final consensus meetings were attended by 10.7% (11/103) of the experts.We identified 16 priority areas, which involved many applications of technologies, including care for patients and caregivers, self-management and reporting of diseases, education and training, communication, care coordination, and research methodology.We summarized the priority areas into eight topics: big data, mobile devices, telehealth and telemedicine, virtual reality, artificial intelligence, smart home, biotechnology, and digital legacy.Conclusions the priorities identified in this study represent a wide range of important emerging areas in the fields of digital health, personalized medicine, and data science.Human-centered design and robust governance systems should be considered in future research.It is important that the risks of using these technologies in palliative care are properly addressed to ensure that these tools are used meaningfully, wisely, and safely and do not cause unintentional harm.

Journal: JMIR aging (2022)
Publication types: Journal Article
Phytocompound Mediated Blockage of Quorum Sensing Cascade in ESKAPE Pathogens.

Increased resistance of enterococcus faecium,staphylococcus aureus,klebsiella pneumoniae,acinetobacter baumannii,pseudomonas aeruginosa, and enterobactersp.(eskape) pathogens against various drugs has enhanced the urge for the development of alternate therapeutics.Quorum sensing (qs) is a density dependent cell-to-cell communication mechanism responsible for controlling pathogenicity with the regulation of gene expression.Thus, qs is considered a potential target for the development of newer anti-biofilm agents that do not depend on the utilization of antibiotics.Compounds with anti-qs effects are known as qs inhibitors (qsis), and they can inhibit the qs mechanism that forms the major form in the development of bacterial pathogenesis.A diverse array of natural compounds provides a plethora of anti-qs effects.Over recent years, these natural compounds have gained importance as new strategies for combating the eskape pathogens and inhibiting the genes involved in qs.Different pharmacognostical and pharmacological studies have been carried out so far for identification of novel drugs or for the discovery of their unique structures that may help in developing more effective anti-biofilm therapies.The main objective of this review is to discuss the various natural compounds, so far identified and their employed mechanisms in hindering the genes responsible for qs leading to bacterial pathogenesis.

Journal: Antibiotics (Basel, Switzerland) (2022)
Publication types: Journal Article;Review
Characterization of Co-Stimulatory Ligand CD80/86 and Its Effect as a Molecular Adjuvant on DNA Vaccine AgainstVibrio anguillarumin Flounder (Paralichthys olivaceus).

The cd80/86 molecule is one of the important co-stimulatory ligands and involves antigen-specific immune responses by ligating with cd28 and then delivering the required second signal to t-cell activation.In this study, a cd80/86 homolog was identified, and its expression characteristics were studied in flounder (paralichthys olivaceus).The open reading frame (orf) of cd80/86is 906 bp, encoding 301 aa, and the extracellular amino acid sequence encoded two ig v- and ig c-like structural domains;f cd80/86is highly expressed in head kidney, peripheral blood leukocytes (pbls), and spleen, and has relatively high expression in muscle.Antibodies specific for cd80/86 were produced, and cd80/86 was colocalized with mhcii+, cd40+, and cd83+ leukocytes but not with ig m+, cd3+, or cd4+ lymphocytes.The cloned cd80/86 in flounder shares conserved structural features with its mammalian counterparts and is mainly distributed on antigen-presenting cells.Based on these data, cd80/86 as an adjuvant to enhance the immune response of dna vaccine was investigated.A bicistronic dna vaccine expressing both cd80/86 and the outer membrane protein (omp k) of vibrio anguillarum(p-omp k-cd80/86) was successfully constructed.After immunization, p-omp k-cd80/86 could induce the upregulation of the proportion of ig m+ and cd4+ cells in flounder, compared to the p-omp k- or p-cd80/86-immunized group;cd28genes were significantly induced in the p-cd80/86 and p-omp k-cd80/86 groups.Compared to the p-omp k group, the higher expression of cd83,mhci,cd4,cd8, and il-2was detected at the injection site.The relative percent survival (rps) produced by p-omp k-cd80/86 is 66.11% following the v.Anguillarumchallenge, while the rps of p-omp k or p-cd80/86 is 46.30% and 5.56%, respectively.The results revealed that cd80/86 is mainly found in antigen-presenting cells, and could help elicit humoral immune responses in teleost through the cd80/86-cd28 signaling pathway involving cd4+ lymphocytes.

Journal: Frontiers in immunology (2022)
Publication types: Journal Article;Research Support, Non-U.S. Gov't
Alternations of gene expression in PI3K and AR pathways and DNA methylation features contribute to metastasis of prostate cancer.

The molecular heterogeneity of prostate cancer (pca) gives rise to distinct tumor subclasses based on epigenetic modification and gene expression signatures.Identification of clinically actionable molecular subtypes of pca is key to improving patient outcome, and the balance between specific pathways may influence pca outcome.It is also urgent to identify progression-related markers through cytosine-guanine (cp g) methylation in predicting metastasis for patients with pca.Methods we performed bioinformatics analysis of transcriptomic, and clinical data in an integrated cohort of 551 prostate samples.The datasets included retrospective the cancer genome atlas (tcga) and gene expression omnibus (geo) cohorts.Two algorithms, least absolute shrinkage and selector operation and support vector machine-recursive feature elimination, were used to select significant cp gs.Results we found that pca progression is more likely to occur after the third year through conditional survival (cs) analysis, and prostate-specific antigen (psa) was a better predictor of progression-free survival (pfs) than gleason score (gs).Our study first demonstrated that pca tumors have distinct expression profiles based on the expression of genes involved in androgen receptor (ar) and pi3k-akt, which influence disease outcome.Our results also indicated that there are multiple phenotypes relevant to the ar-pi3k axis in pca, where tumors with mixed phenotype may be more aggressive or have worse outcome than quiescent phenotype.In terms of epigenetics, we obtained cp g sites and their corresponding genes which have a good predictive value of pfs.However, various evidences showed that the predictive value of cp gs corresponding genes was much lower than gp g sites in overall survival (os) and pfs.Conclusions pca classification specific to ar and pi3k pathways provides novel biological insight into previously established pca subtypes and may help develop personalized therapies.Our results support the potential clinical utility of dna methylation signatures to distinguish tumor metastasis and to predict prognosis and outcomes.

Journal: Cellular and molecular life sciences : CMLS (2022)
Publication types: Journal Article
Combined effect of shear stress and laser-patterned topography on Schwann cell outgrowth: synergistic or antagonistic?

Although the peripheral nervous system exhibits a higher rate of regeneration than that of the central nervous system through a spontaneous regeneration after injury, the functional recovery is fairly infrequent and misdirected.Thus, the development of successful methods to guide neuronal outgrowth, in vitro, is of great importance.In this study, a precise flow controlled microfluidic system with specific custom-designed chambers, incorporating laser-microstructured polyethylene terephthalate (pet) substrates comprising microgrooves, was fabricated to assess the combined effect of shear stress and topography on schwann cells' behavior.The microgrooves were positioned either parallel or perpendicular to the direction of the flow inside the chambers.Additionally, the cell culture results were combined with computational flow simulations to calculate accurately the shear stress values.Our results demonstrated that wall shear stress gradients may be acting either synergistically or antagonistically depending on the substrate groove orientation relative to the flow direction.The ability to control cell alignment in vitro could potentially be used in the fields of neural tissue engineering and regenerative medicine.

Journal: Biomaterials science (2021)
Publication types: Journal Article
Palladium-Catalyzed Hydrosilylation of Unactivated Alkenes and Conjugated Dienes with Tertiary Silanes Controlled by Hemilabile Hybrid P,O Ligand.

Novel p,o-type ligands, n-disulfonyl bicyclic bridgehead phosphorus triamides, were synthesized and utilized in pd-catalyzed hydrosilylation involving tertiary silanes, unactivated alkenes, and conjugated dienes.The ligand displayed a remarkable level of reactivity for alkene hydrosilylation with tertiary silanes and its use resulted in a significant improvement in the regioselectivity of diene hydrosilylation towards 1,2-hydrosilylation.X-ray crystallographic analysis confirmed the bidentate nature of the ligand, with coordination of phosphorus and oxygen.Control experiments provided evidence for the formation of pd0species and the reversibility of pd-h insertion in the reaction mechanism.Density functional theory (dft) computations supported the importance of the hemilabile p,o ligand in stabilizing both the rate-determining transition state of pd-h insertion and the transition state of reductive elimination that determines the regioselectivity.

Journal: Angewandte Chemie (International ed. in English) (2023)
Publication types: Journal Article
Analyzing the Organoleptic Quality of Commercial Extra Virgin Olive Oils: IOC Recognized Panel Tests vs. Electronic Nose.

Virgin olive oil (voo) classification into quality categories determines its labeling and market price.This procedure involves performing a series of chemical-physical analyses and, ultimately, a sensory analysis through the panel test.This work explores the analysis of voos quality with an electronic olfactory system (eos) and examines its abilities using the panel test as a reference.To do this, six commercial olive oils labelled as extra virgin were analyzed with an eos and classified by three panels recognized by the international olive council.The organoleptic analysis of the oils by the panels indicated that most of the oils in the study were in fact not extra virgin.Besides this, the classifications showed inconsistencies between panels, needing statistical treatment to be used as a reference for the eos training.The analysis of the same oils by the eos and their subsequent statistical analysis by pca revealed a good correlation between the first principal component and the olive oil quality from the panels using average scores.It also showed a more consistent classification than the panels.Overall, the eos proved to be a cheaper, faster, and highly reliable method as a complement to the panel test for the olive oil classification.

Journal: Foods (Basel, Switzerland) (2022)
Publication types: Journal Article
Repair of aortoesophageal fistula with homograft aortic replacement and primary esophageal closure.

S the presence of a fistula between the thoracic aorta and the esophagus is a rare and highly fatal condition.This study aimed to evaluate the outcomes of the surgical treatment of an aortoesophageal fistula (aef).Methods we retrospectively reviewed patients with aef who underwent surgery at our institution.Results between 2007 and 2018, a total of 10 patients who underwent surgery for aef.The mean age was 63 ± 12 years, and 6 patients were men.Four patients had primary aefs and 6 patients had secondary aefs (3 graft replacements and 3 thoracic endovascular aortic repairs).The timing of aef since graft replacement or thoracic endovascular aortic repairs was 21.6 ± 27 days.We performed aortic replacement with a prosthetic graft (4 patients) or a homograft (5 patients) and extra-anatomical bypass due to a previous aortic graft infection (1 patient).As a treatment of the esophagus, we conducted primary repair in 7 of 10 patients.The median lengths of hospital and intensive care unit stay were 59 days (range, 9-225 days) and 6.3 days (range, 1-87 days), respectively.Seven patients achieved oral feeding after a median 10.3 postoperative days (range, 7-78 postoperative days).Two of the 10 patients died of sepsis at 9 and 74 days postoperatively.Conclusions the strategy for patients with aef should be individualized.Our surgical strategy for aef, which includes simultaneous aortic graft replacement and primary repair of esophagus in the same operative field, is feasible and promising.

Journal: The Journal of thoracic and cardiovascular surgery (2022)
Publication types: Journal Article
Development of tumor-targeting aza-vesamicol derivatives with high affinity for sigma receptors for cancer theranostics.

As sigma receptors are highly expressed on various cancer cells, radiolabeled sigma receptor ligands have been developed as imaging and therapeutic probes for cancer.Previously, we synthesized and evaluated a radioiodinated vesamicol derivative, 2-(4-[125i](4-iodophenyl)piperidine)cyclohexanol ((+)-[125i]p iv), and a radioiodinated aza-vesamicol derivative,trans-2-(4-(3-[125i](4-iodophenyl)propyl)piperazin-1-yl)cyclohexan-1-ol ([125i]2), as sigma-1 receptor-targeting probes.In order to obtain sigma receptor-targeting probes with superior biodistribution characteristics, we firstly synthesized twelve bromine-containing aza-vesamicol derivatives and evaluated their affinity for sigma receptors.One such derivative exhibited high selectivity for the sigma-1 receptor and another exhibited high affinity for both the sigma-1 and sigma-2 receptors.Thus, their halogen-substituted iodine- and radioiodine-containing compounds were prepared.The125i-labeled compounds exhibited high uptake in tumor and lower uptake in non-target tissues than the two previously developed and evaluated125i-labeled sigma receptor-targeting probes, [125i]p iv and [125i]2.Therefore, these novel radioiodine-labeled compounds should be promising as sigma receptor-targeting probes.

Journal: RSC medicinal chemistry (2022)
Publication types: Journal Article
New-generation tyrosine kinase inhibitor-associated asymptomatic cerebrovascular stenosis: two illustrative cases.

New-generation tyrosine kinase inhibitors (tkis), nilotinib and ponatinib, for chronic myelogenous leukemia (cml) have been reported to cause symptomatic cerebral ischemia.Herein, we report two patients with asymptomatic cerebral artery stenosis associated with these tkis, as a previously unreported finding.Both patients were in their 40 s and administered new-generation tkis without vascular risk factors.New-generation tkis for cml can cause major cerebrovascular stenosis without any symptoms.Examining the neck and intracranial arteries using magnetic resonance angiography and carotid ultrasonography may prevent future cerebral infarctions associated with these tkis.

Journal: Acta neurochirurgica (2022)
Publication types: Journal Article
Individual differences in adolescent mental health during COVID-19: The importance of peer relationship quality.

Lockdowns and school closures deprive adolescents of typical social interactions.In this neuro view, we explore how the quality of existing peer relationships might moderate-both positively and negatively-the impact of these restrictions on adolescent mental health, and we highlight the importance of individual differences.

Journal: Neuron (2021)
Publication types: Journal Article;Research Support, Non-U.S. Gov't;Review