Miracle-dz/UniFAR-FTUs huggingface dataset:
Pretreatment Inflammatory-Nutritional Biomarkers Predict Responses to Neoadjuvant Chemoradiotherapy and Survival in Locally Advanced Rectal Cancer

Background To evaluate the value of pretreatment inflammatory-nutritional biomarkers in predicting responses to neoadjuvant chemoradiotherapy (nCRT) and survival in patients with locally advanced rectal cancer (LARC). Methods Patients with LARC who underwent nCRT and subsequent surgery between October 2012 and December 2019 were considered for inclusion. Neutrophil to lymphocyte ratio (NLR), platelet to lymphocyte ratio (PLR), lymphocyte to monocyte ratio (LMR), and prognostic nutritional index (PNI) were calculated from according to routine laboratory data within 1 week prior to nCRT. The correlations between baseline inflammatory-nutritional biomarkers and responses were analyzed using Chi-square test or Fisher’s exact test, and multivariate logistic regression analysis was performed to identify the independent predictors of pathological responses to nCRT. Univariate and multivariate Cox proportional hazard models were used to assess the correlations of predictors with disease-free survival (DFS) and overall survival (OS). Results A total of 273 patients with LARC were enrolled in this study. Higher LMR and PNI were observed in the good-response group, meanwhile higher NLR and PLR were observed in the poor-response group. Multivariate logistic regression analysis results revealed that PLR and PNI independently predicted responses to nCRT. Multivariable Cox regression analysis determined that PNI was an independent predictor of DFS and OS in patients with LARC. The value of pretreatment PNI in predicting responses and survival was continuously superior to those of NLR, PLR, and LMR. The optimal cutoff value of the PNI was approximate 45. Subgroup analyses indicated that the pathological responses and survival in the high PNI group (≥ 45) were significantly better than those in the low PNI group (< 45), especially in patients with clinical stage III rectal cancer. Conclusion The pretreatment PNI can serve as a promising predictor of response to nCRT and survival in patients with LACR, which is superior to NLR, PLR, and LMR, and the patients with clinical stage III rectal cancer who have a higher PNI are more likely to benefit from nCRT.
Case Report: Migraine-Like Headache With Visual Aura Initiated by Endovascular Coiling Treatment for a Posterior Cerebral Artery Aneurysm

Cervical, anterior, and middle cerebral artery aneurysm is a causative factor for migraine, and endovascular treatment usually improves migraine headache. Posterior cerebral artery (PCA) aneurysm is a rare condition, and its association with migraine is very rarely reported. In addition, endovascular coiling treatment causing migraine-like headache has never been reported. Here, we describe a newly developed migraine-like headache with visual aura after endovascular coiling treatment for PCA aneurysm in a 31-year-old female patient. One month after the endovascular therapy, the patient stopped using the antiplatelet agents clopidogrel and aspirin and presented with an episodic headache attack twice a month with typical migraine features, including visual aura, right-sided temporal throbbing pain accompanied with nausea, vomiting, and photophobia. The recurrence of migraine-like headache with visual aura was terminated by clopidogrel administration. The generation of the migraine-like headache with visual aura is probably associated with microemboli due to endovascular coiling. This case supports the hypothesis that migraine with aura can be associated with microemboli of variant origins.
Robust Cortical Thickness Morphometry of Neonatal Brain and Systematic Evaluation Using Multi-Site MRI Datasets

The human brain grows the most dramatically during the perinatal and early post-natal periods, during which pre-term birth or perinatal injury that may alter brain structure and lead to developmental anomalies. Thus, characterizing cortical thickness of developing brains remains an important goal. However, this task is often complicated by inaccurate cortical surface extraction due to small-size brains. Here, we propose a novel complex framework for the reconstruction of neonatal WM and pial surfaces, accounting for large partial volumes due to small-size brains. The proposed approach relies only on T1-weighted images unlike previous T2-weighted image-based approaches while only T1-weighted images are sometimes available under the different clinical/research setting. Deep neural networks are first introduced to the neonatal magnetic resonance imaging (MRI) pipeline to address the mis-segmentation of brain tissues. Furthermore, this pipeline enhances cortical boundary delineation using combined models of the cerebrospinal fluid (CSF)/GM boundary detection with edge gradient information and a new skeletonization of sulcal folding where no CSF voxels are seen due to the limited resolution. We also proposed a systematic evaluation using three independent datasets comprising 736 pre-term and 97 term neonates. Qualitative assessment for reconstructed cortical surfaces shows that 86.9% are rated as accurate across the three site datasets. In addition, our landmark-based evaluation shows that the mean displacement of the cortical surfaces from the true boundaries was less than a voxel size (0.532 ± 0.035 mm). Evaluating the proposed pipeline (namely NEOCIVET 2.0) shows the robustness and reproducibility across different sites and different age-groups. The mean cortical thickness measured positively correlated with post-menstrual age (PMA) at scan (p < 0.0001); Cingulate cortical areas grew the most rapidly whereas the inferior temporal cortex grew the least rapidly. The range of the cortical thickness measured was biologically congruent (1.3 mm at 28 weeks of PMA to 1.8 mm at term equivalent). Cortical thickness measured on T1 MRI using NEOCIVET 2.0 was compared with that on T2 using the established dHCP pipeline. It was difficult to conclude that either T1 or T2 imaging is more ideal to construct cortical surfaces. NEOCIVET 2.0 has been open to the public through CBRAIN (https://mcin-cnim.ca/technology/cbrain/), a web-based platform for processing brain imaging data.
Cost-Effectiveness of Peer-Delivered HIV Self-Tests for MSM in Uganda

Introduction: Distribution of HIV self-testing (HIVST) kits through MSM peer networks is a novel and effective strategy to increase HIV testing coverage in this high-risk population. No study has evaluated the cost or cost effectiveness of peer distribution of HIVST strategies among MSM in sub-Saharan Africa. Methods: From June to August 2018, we conducted a pilot study of secondary MSM peer HIVST kit distribution at The AIDS Support Organization at Entebbe and Masaka. We used an ingredients approach to estimate the cost of MSM peer HIVST kit distribution relative to standard-of-care (SOC) hotspot testing using programme expenditure data reported in US dollars. The provider perspective was used to estimate incremental cost-effective ratios per HIV infection averted using the difference in HIV annual transmission rates between MSM with HIV who knew their status and were not virologically suppressed and MSM with HIV who did not know their status. Results: We enrolled 297 participants of whom 150 received MSM peer HIVST kit distribution (intervention group) and 147 received TASO standard of care HIV testing (control group). Provider cost for the intervention was $2,276 compared with $1,827 for SOC during the 3-month study period. Overall, the intervention resulted in higher HIV positivity yield (4.9 vs. 1.4%) and averted more HIV infections per quarter (0.364 vs. 0.104) compared with SOC. The cost per person tested was higher for the intervention compared to SOC ($15.90 vs. $12.40). Importantly, the cost per new HIV diagnosis ($325 vs. $914) and cost per transmission averted ($6,253 vs. $ 17,567) were lower for the intervention approach relative to SOC. The incremental cost per HIV transmission averted by the self-testing program was $1,727. The incremental cost to providers per additional HIV-positive person identified by the intervention was $147.30. Conclusion: The intervention strategy was cost-effective, and identified more undiagnosed HIV infections than SOC hotspot testing at a cost-effectiveness threshold of US $2,129. Secondary distribution of HIVST kits through peers should further be evaluated with longer duration aimed at diagnosing 95% of all persons with HIV by 2030; the first UNAIDS 95-95-95 target.
Infrared and NIR Raman spectroscopy in medical microbiology

FTIR and FT-NIR Raman spectra of intact microbial cells are highly specific, fingerprint-like signatures which can be used to (i) discriminate between diverse microbial species and strains, (ii) detect in situ intracellular components or structures such as inclusion bodies, storage materials or endospores, (iii) detect and quantify metabolically released CO2 in response to various different substrate, and (iv) characterize growth-dependent phenomena and cell-drug interactions. The characteristic information is extracted from the spectral contours by applying resolution enhancement techniques, difference spectroscopy, and pattern recognition methods such as factor-, cluster-, linear discriminant analysis, and artificial neural networks. Particularly interesting applications arise by means of a light microscope coupled to the spectrometer. FTIR spectra of micro-colonies containing less than 103 cells can be obtained from colony replica by a stamping technique that transfers micro-colonies growing on culture plates to a special IR-sample holder. Using a computer controlled x, y- stage together with mapping and video techniques, the fundamental tasks of microbiological analysis, namely detection, enumeration, and differentiation of micro- organisms can be integrated in one single apparatus. FTIR and NIR-FT-Raman spectroscopy can also be used in tandem to characterize medically important microorganisms. Currently novel methodologies are tested to take advantage of the complementary information of IR and Raman spectra. Representative examples on medically important microorganisms will be given that highlight the new possibilities of vibrational spectroscopies.
Overcoming Challenges to Teamwork in Healthcare: A Team Effectiveness Framework and Evidence-Based Guidance

Background: Safe and effective patient care depends on the teamwork of multidisciplinary healthcare professionals. Unfortunately, the field currently lacks an evidence-based framework for effective teamwork that can be incorporated into medical education and practice across health professions. We introduce a comprehensive framework for team effectiveness. Common challenges to teamwork in healthcare are identified along with evidence-based strategies for overcoming them. Methods: The framework was developed in four steps: 1) grounding in the existing team science literature, 2) semi-structured interviews (N = 13), 3) thematic analysis and initial framework development, and 4) revision of the framework through input from healthcare professionals representative of different functions across the healthcare system (N = 13). A diagnostic tool consisting of one survey item per team competency was developed to complement the framework. The survey was then administered to healthcare teams across clinical and administrative functions (N = 10 teams, 96 individuals), and results were compiled and then used to conduct debriefs with individual team members and teams. A set of common teamwork challenges were identified using the survey and qualitative data. Qualitative data was analyzed to explore the unique ways these challenges manifest in both clinical and administrative teams. Results: The five most common challenges that face healthcare teams relate to accountability, conflict management, decision-making, reflecting on progress, and coaching. These challenges were similar across both clinical and administrative team types. Based on the authors' collective experience designing and implementing Team Development Interventions (TDIs), strategies for managing each challenge are provided. Conclusions: The proposed framework is unique in two ways. First, it's generally applicable across the many types of teams that contribute to the quality and safety of patient care. Second, the levels of the framework build upon each other to contribute to the development of the ideal team states. The framework and accompanying strategies can provide guidance for where and how to target developmental efforts.
On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen–proline cocrystals

Four original cocrystal structures incorporating a zwitterionic amino acid, prolinium, and a therapeutical agent from profen pharmaceutical family, naproxen, are highlighted and characterized in this study. Powder X-ray diffraction and differential scanning calorimetry permits the observation of the formation of the new structures, obtained by liquid-assisted grinding with methanol. Single-crystal X-ray diffraction gives us a precise outlook of the crystalline network, and allows us to accurately determine the main structural supramolecular synthon: column-like motifs, formed by prolinium entities, around whom the pharmaceutical coformer is organized. From comparison with the CSD, a similar structural pattern emerged in several other structures incorporating prolinium moieties, but not in the case of cocrystals incorporating naproxen and other non-zwitterionic coformers. This result leads us to the conclusion that zwitterionic compounds, such as amino acids, can force a pharmaceutical coformer to structure itself following a known common motif guided only by the zwitterionic entity; a very challenging aspect to take into account when developing new solid forms of therapeutical agents.
Aggregation of dye molecules and its influence on the spectral luminescent properties of solutions

The principal results of studies carried out in recent years on the molecular aggregation of organic dyes and pigments in solutions are examined and surveyed in the present review. Attention is concentrated on the influence of association on the photoenergetics of the dye molecules. Theoretical studies on the spectral-luminescent spectroscopic characteristics of the molecular aggregates are briefly considered. Studies on the anisotropy of the absorption and on the emission from the associated species are described. Investigations of the concentration depolarisation and concentration quenching of the fluorescence of dye solutions are subjected to a critical analysis. The results of studies of the mixed association of dye molecules and of its influence on the lasing characteristics of the solutions are presented. The physicochemical conditions affecting the efficiency of the association process are examined. The bibliography includes 251 references.
Price discounting as a hidden risk factor of energy drink consumption

Global consumption of caffeinated energy drinks (CED) has been increasing dramatically despite increasing evidence of their adverse health effects. Temporary price discounting is a rarely investigated but potentially powerful food marketing tactic influencing purchasing of CED. Using grocery transaction records generated by food stores in Montreal, we investigated the association between price discounting and purchasing of CED across socio-economic status operationalized by education and income levels in store neighbourhood. The outcome, log-transformed weekly store-level sales of CED, was modelled as a function of store-level percent price discounting, store- and neighbourhood-level confounders, and an interaction term between discounting and each of tertile education and income in store neighbourhood. The model was separately fit to transactions from supermarkets, pharmacies, supercentres, and convenience stores. There were 18,743, 12,437, 3965, and 49,533 weeks of CED sales from supermarkets, pharmacies, supercentres, and convenience stores, respectively. Percent price discounting was positively associated with log sales of CED for all store types, and the interaction between education and discounting was prominent in supercentres: −0.039 [95% confidence interval (CI): −0.051, −0.028] and −0.039 [95% CI: −0.057, −0.021], for middle- and high-education neighbourhoods relative to low-education neighbourhoods, respectively. Relative to low-income areas, the associations of discounting and log CED sales in supercentres for neighbourhoods with middle- and high-income tertile were 0.022 [95% CI: 0.010, 0.033] and 0.015 (95% CI: −0.001, 0.031), respectively. Price discounting is an important driver of CED consumption and has a varying impact across community education and income.
Molecular Dynamics Simulations of PNADNA and PNARNA Duplexes in Aqueous Solution

Molecular dynamics simulations have been used to study the structure and flexibility of a DNA·PNA duplex and a RNA·PNA duplex in aqueous solution. In this study, trajectories have been generated starting from three different conformations of the PNA·DNA and PNA·RNA duplexes: A-like, B-like, and PA/B-like. For the DNA·PNA duplex, the three trajectories converge within the nanosecond time scale to give structures resembling closely the PB model. The RNA·PNA duplex trajectories started from A- and PA-forms converge to give structures resembling the PA model, but the trajectory begun from the B-like conformation leads to an unfolded duplex. Despite the similarity between PA and PB structures calculations show the existence of important differences in terms of molecular recognition between both conformations. Analysis of the trajectories shows that the PNA backbone is very flexible provided that the backbone movements do not alter the positioning of the bases. It is found that PNA is able to distort the struc.
BUSINESS MODEL CANVAS AS A TOOL OF MANAGER 4.0 MODEL BIZNESOWY CANVAS

The article deals with a BCM model that allows managers to outline the value creation process. In contrast to the business plan, this business model describes how to create and deliver value (product or service) to clients, as well as how to create demand, the network of customer-suppliers and how the company will earn money. The BCM model describes the basic principles of value creation by enterprises, their capture and delivery. In the first part of the article authors try to define of term of business model based on a literature review. The case study presented later shows how to use strategic analysis methods to determine the current state and build a complex business model. The results showed that the implementation of the proposed solution can help the company achieve its goal and further development.
Postcondensation Modifications of Ugi Four-Component Condensation Products: 1-Isocyanocyclohexene as a Convertible Isocyanide. Mechanism of Conversion, Synthesis of Diverse Structures, and Demonstration of Resin Capture

The concept of a “universal isocyanide” that enables postcondensation modification of Ugi four-component condensation products is introduced. This strategy is suited for the synthesis of libraries. By using 1-isocyanocyclohexene as the isocyanide input in the Ugi reaction, the product cyclohexenamides can be converted to a variety of products. From the original α-(acylamino) amides, new carboxylic acids, esters, and thioesters are produced from acid-activated conversion of the cyclohexenamide moiety. It has been determined that the intermediate in conversion of this type is an oxazolinium-5-one (munchnone) that reacts with many nucleophiles to yield the products above. The munchnone can also undergo cycloaddition with acetylenic dipolarophiles to form pyrroles. Through internal nucleophilic attack, Ugi products are shown to convert to a protected monosaccharide derivative and to 1,4-benzodiazepine-2,5-diones. All of the conversions described consist of a single step. Resin capture of Ugi products is demon.
SCIM, A THEORY-BASED COMPUTER CODE FOR THE PREDICTION OF THE IN-PILE BEHAVIOR OF TYPE 304 STAINLESS STEEL.

A model for the behavior of Type 304 stainless steel during fast-reactor irradiation has been developed into the computer program SCIM (Swelling and Creep of Irradiated Metals). The model incorporates recent concepts on high-temperature radiation damage into an analytical tool for predicting in-pile behavior of Type 304 stainless steel. Swelling rates are discussed in terms of the relative efficiencies of voids and dislocations as sinks. The calculation for the swelling rate shows it is a maximum when the sink efficiencies are equal. The dose dependence of swelling is found to be a function of the relative rates of void and dislocation loop formation. Saturation meca^xiisms are discussed with respect to their effect on the swelling rate. Saturation is favored by increased void number density and increased irradiation temperature. This results in a compromise between irradiation temperature and the expected void volume at saturation. point-defect . -at intermediate forming a microstructure
The total synthesis of (±)-pisiferin

The conversion of racemic α-cyclocitral into 3-(3-isopropyl-4-methoxyphenethyl)-4,4-dimethyl-2-methylenecyclohexanone (2) was carried out in five steps via 3-(3-isopropyl-4-methoxyphenethyl)-2,4,4-trimethyl-1-cyclohexene. An intramolecular cyclization of 2 with polyphosphoric acid produced the corresponding two tricyclic ketones possessing cis- and trans-A/B ring junctions. Each of these ketones was further converted into 12-mesyloxy-9(10→20)-abeo-abieta-1(10),8,11,13-tetraene in four steps. The mesylate was reduced with lithium aluminium hydride to give (±)-pisiferin.
Chemical and biological reduction of contaminant metals by natural organic matter

Natural organic matter (NOM) contains both electron-rich and electron-deficient sites that are responsible for the electron-donating and electron-accepting properties of NOM. Such redox properties of NOM have recently drawn considerable interest and may play significant roles in the redox transformation of contaminant metals and radionuclides such as chromate (CrO4 2- ) and uranyl (UO2 2+ ). However, because of the heterogeneous nature of NOM, one largely unanswered question is which specific NOM fractions or structural features are involved in transferring electrons to contaminant metals? In this study, we attempted to fractionate the NOM into relatively well-defined subcomponents so that their functionality and structural features can be better characterized and defined. Results to date suggest that different NOM fractions vary greatly in structural features and functional groups with respect to the contents of aromatic moieties, carboxylic and heteroaliphatic hydroxyl functional groups, free radicals as measured by electron spin counts, and molecular weight. Different fractions of NOM were found to be able to directly reduce metals or metal oxides (such as ferric iron oxides and CrO4 2- ) although they exhibit varying ability or capacity in reducing these metals. The polyphenolic-rich NOM fraction appeared to be the most reactive in reducing ferric iron or iron oxides, resulting in an increased release of ferrous ions over time. In addition, the reduction of CrO4 2- was confirmed by the X-ray nearedge absorption spectroscopy (XNEAS). The present study also suggests that the ability of NOM fractions in reducing metals were correlated with their structural and functional properties, such as the hydroquinone and ketone functional groups.