Early Diagnosis of Pancreatic Cancer via Machine Learning Analysis of a National Electronic Medical Record Database.

Purpose: Pancreatic cancer (PaC) is often diagnosed at advanced stages, resulting in one of the lowest survival rates among patients with cancer. The purpose of this study was to investigate whether machine learning (ML) models can predict with high sensitivity and specificity an increased risk for PaC ahead of clinical diagnosis.

Methods: Optum deidentified electronic health record (EHR) data set was used to extract 1-year data for each patient and to sample for PaC diagnosis, the number of interactions with the health care system, and unique demographic and clinical features.

Clinical Outcomes With Dabrafenib Plus Trametinib in a Clinical Trial Versus Real-World Standard of Care in Patients With -Mutated Advanced NSCLC.

Introduction: mutations are rare in patients with NSCLC, and treatment options are limited. Dabrafenib plus trametinib (dab-tram) was approved for -mutated advanced NSCLC (aNSCLC), based on results from a phase 2 study (NCT01336634). This retrospective analysis compared the effectiveness of dab-tram, based on previously reported clinical trial data, versus real-world standard of care in patients with -mutated aNSCLC.

COVID-19 pandemic: The impact on vulnerable children and young people in Australia.

The COVID-19 pandemic and associated system disruptions are impacting all children and young people (CYP) in Australia. For vulnerable groups of CYP, who already experience poorer health and well-being, these impacts are amplified. Challenges include reduced access to usual services, reduced community supports, financial instability, unemployment and other life circumstances that threaten to widen pre-existing inequities.

FUNCTIONALIZED ELECTROSPUN POLYMER NANOFIBERS FOR TREATMENT OF WATER CONTAMINATED WITH URANIUM.

Uranium (U) contamination of drinking water often affects communities with limited resources, presenting unique technology challenges for U treatment. Here, we develop a suite of chemically functionalized polymer (polyacrylonitrile; PAN) nanofibers for low pressure reactive filtration applications for U removal. Binding agents with either nitrogen-containing or phosphorous-based (e.

Matrix-Independent Surface-Enhanced Raman Scattering Detection of Uranyl Using Electrospun Amidoximated Polyacrylonitrile Mats and Gold Nanostars.

Reproducible detection of uranyl, an important biological and environmental contaminant, from complex matrixes by surface-enhanced Raman scattering (SERS) is successfully achieved using amidoximated-polyacrylonitrile (AO-PAN) mats and carboxylated gold (Au) nanostars. SERS detection of small molecules from a sample mixture is traditionally limited by nonspecific adsorption of nontarget species to the metal nanostructures and subsequent variations in both the vibrational frequencies and intensities. Herein, this challenge is overcome using AO-PAN mats to extract uranyl from matrixes ranging in complexity including HEPES buffer, Ca(NO) and NaHCO solutions, and synthetic urine.

Functionalized polymer-iron oxide hybrid nanofibers: Electrospun filtration devices for metal oxyanion removal.

Via a single-pot electrospinning synthesis, we developed a functionalized polymer-metal oxide nanofiber filter for point of use (POU) water treatment of metal oxyanions (e.g., arsenate and chromate).

Impact of Water-Dilution on the Solvation Properties of the Ionic Liquid 1-Methyltriethoxy-3-ethylimidazolium Acetate for Model Biomass Molecules.

Many studies have suggested that the processing of lignocellulosic biomass could provide a renewable feedstock to supplant much of the current demand on petroleum sources. Currently, alkyl imidazolium-based ionic liquids (ILs) have shown considerable promise in the pretreatment, solvation, and hydrolysis of lignocellulosic materials although their high cost and unfavorable viscosity has limited their widespread use. Functionalizing these ILs with an oligo(ethoxy) tail has previously been shown through experiment to decrease the IL's viscosity resulting in enhanced mass transport characteristics, in addition to other favorable traits including decreased inhibition of some enzymes.

In silico insights into the solvation characteristics of the ionic liquid 1-methyltriethoxy-3-ethylimidazolium acetate for cellulosic biomass.

Lignocellulosic biomass is a domestically grown, sustainable, and potentially carbon-neutral feedstock for the production of liquid fuels and other value added chemicals. This underutilized renewable feedstock has the potential to alleviate some of the current socio-economic dependence on foreign petroleum supplies while stimulating rural economies. Unfortunately, the potential of biomass has largely been underdeveloped due to the recalcitrant nature of lignocellulosic materials.

Partitioning of naturally-occurring radionuclides (NORM) in Marcellus Shale produced fluids influenced by chemical matrix.

Naturally-occurring radioactive materials (NORM) associated with unconventional drilling produced fluids from the Marcellus Shale have raised environmental concerns. However, few investigations into the fundamental chemistry of NORM in Marcellus Shale produced fluids have been performed. Thus, we performed radiochemical experiments with Marcellus Shale produced fluids to understand the partitioning behavior of major radioelements of environmental health concern (uranium (U), thorium (Th), radium (Ra), lead (Pb), and polonium (Po)).

High Trans Kinetic Selectivity in Ruthenium-Based Olefin Cross-Metathesis through Stereoretention.

The first kinetically controlled, highly trans-selective (>98%) olefin cross-metathesis reaction is demonstrated using Ru-based catalysts. Reactions with either trans or cis olefins afford products with highly trans or cis stereochemistry, respectively. This E-selective olefin cross-metathesis is shown to occur between two trans olefins and between a trans olefin and a terminal olefin.

Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials.

Organic acids are important metal chelators in environmental systems and tend to form soluble complexes in aqueous solutions, ultimately influencing the transport and bioavailability of contaminants in surface and subsurface waters. This is particularly true for the formation of uranyl citrate complexes, which have been utilized in advanced photo- and bioremediation strategies for soils contaminated with nuclear materials. Given the complexity of environmental systems, the formation of ternary or heterometallic uranyl species in aqueous solutions are also expected, particularly with Al(iii) and Fe(iii) cations.

A systematic review of economic evaluations in second and later lines of therapy for the treatment of non-small cell lung cancer.

Introduction: Non-small cell lung cancer (NSCLC) is associated with high morbidity and mortality. Surgery is generally accepted as the first-line treatment in patients with advanced/metastatic NSCLC, followed by radiotherapy and chemotherapy as second-line treatments. Docetaxel or erlotinib are generally recommended as the first-line chemotherapy option.

Capillary electrophoretic separation-based approach to determine the labeling kinetics of oligodeoxynucleotides.

With the recent advances in electron microscopy (EM), computation, and nanofabrication, the original idea of reading DNA sequence directly from an image can now be tested. One approach is to develop heavy atom labels that can provide the contrast required for EM imaging. While evaluating tentative labels for the respective nucleobases in synthetic oligodeoxynucleotides (oligos), we developed a streamlined CE protocol to assess the label stability, reactivity, and selectivity.

Implicit and explicit olfactory memory in people with and without Down syndrome.

This study examined differences in implicit and explicit memory performance between people with Down syndrome (DS), their siblings, children matched on mental age, and university undergraduates, using olfactory stimuli. The DS and mental-age matched participants were also compared on two tasks of executive function. The data revealed implicit memory for olfactory stimuli.

Cost-effectiveness of duloxetine: the Stress Urinary Incontinence Treatment (SUIT) study.

Objective: To assess the cost-effectiveness of duloxetine compared with conservative therapy in women with stress urinary incontinence (SUI).

Methods: Cost and outcome data were taken from the Stress Urinary Incontinence Treatment (SUIT) study, a 12-month, prospective, observational, naturalistic, multicenter, multicountry study. Costs were assessed in UK pound and outcomes in quality adjusted life years using responses to the EuroQol (EQ-5D); numbers of urine leaks were also estimated.

Solution interaction of potassium and calcium bis(trimethylsilyl)amides; preparation of Ca[N(SiMe3)2]2 from dibenzylcalcium.

Ca[N(SiMe(3))(2)](2) (1) is isolated in nearly quantitative yield from the room temperature reaction of Ca(CH(2)Ph)(2)(THF) and HN(SiMe(3))(2) in toluene. A commonly used preparation of 1 involving the reaction of potassium bis(trimethylsilyl)amide, K[N(SiMe(3))(2)] (2), with CaI(2) can produce material that contains substantial amounts of potassium, probably in the form of a calciate such as K[Ca{N(SiMe(3))(2)}(3)]. The favorable formation of K[Ca{N(SiMe(3))(2)}(3)] from 1 and 2 was confirmed with density functional theory calculations.

Copper complexes of anionic nitrogen ligands in the amidation and imidation of aryl halides.

Copper(I) imidate and amidate complexes of chelating N,N-donor ligands, which are proposed intermediates in copper-catalyzed amidations of aryl halides, have been synthesized and characterized by X-ray diffraction and detailed solution-phase methods. In some cases, the complexes adopt neutral, three-coordinate trigonal planar structures in the solid state, but in other cases they adopt an ionic form consisting of an L 2Cu (+) cation and a CuX 2 (-) anion. A tetraalkylammonium salt of the CuX 2 (-) anion in which X = phthalimidate was also isolated.

Relative rates for the amination of eta3-allyl and eta3-benzyl complexes of palladium.

Reactions of nucleophiles with metal-bound hydrocarbyl pi-ligands bound in an eta3-fashion are key steps in a variety of carbon-carbon and carbon-heteroatom bond-forming reactions. To reveal factors that control the rates of reaction of nucleophiles with this type of ligand, the rates of reactions of an aromatic and an aliphatic amine with a series of eta3-allyl, eta3-benzyl, and eta3-phenethyl palladium complexes ligated by the bisphosphine (R)-BINAP to form allylic and benzylic amines were measured. These data showed that the less common addition to an eta3-benzyl complex is faster than the more common addition to an eta3-allyl complex.

Direct measurement of the thermodynamics of vinylarene hydroamination.

The thermodynamics for intermolecular hydroamination of vinylarenes with arylamines have been measured directly by conducting the addition processes, as well as cleavage of the addition products, under conditions in which amine, vinylarene, and phenethylamine are all present. The reaction of N-methylaniline with styrene is exothermic by about 10 kcal/mol but nearly thermoneutral in free energy. The free energies for additions of various primary arylamines to styrene and for additions of primary arylamines to indene, dihydronaphthalene, and two vinylarenes range from 1.

A highly active palladium catalyst for intermolecular hydroamination. Factors that control reactivity and additions of functionalized anilines to dienes and vinylarenes.

We report a catalyst for intermolecular hydroamination of vinylarenes that is substantially more active for this process than catalysts published previously. With this more reactive catalyst, we demonstrate that additions of amines to vinylarenes and dienes occur in the presence of potentially reactive functional groups, such as ketones with enolizable hydrogens, free alcohols, free carboxylic acids, free amides, nitriles, and esters. The catalyst for these reactions is generated from [Pd(eta(3)-allyl)Cl](2) (with or without added AgOTf) or [Pd(CH(3)CN)(4)](BF(4))(2) and Xantphos (9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene), which generates complexes with large P-Pd-P bite angles.

The amide rotational barriers in picolinamide and nicotinamide: NMR and ab initio studies.

Pyridine carboxamides are a class of medicinal agents with activity that includes the reduction of iron-induced renal damage, the regulation of nicotinamidase activity, and radio- and chemosensitization. Such pharmacological activities, and the prevalence of the carboxamide moiety and the importance of amide rotations in biology, motivate detailed investigation of energetics in these systems. In this study, we report the use of dynamic nuclear magnetic resonance to measure the amide rotational barriers in the pyridine carboxamides picolinamide and nicotinamide.