Optimal and fast confidence intervals for hypergeometric successes

We present an efficient method of calculating exact confidence intervals for the hypergeometric parameter representing the number of “successes,” or “special items,” in the population. The method inverts minimum-width acceptance intervals after shifting them to make their endpoints nondecreasing while preserving their level. The resulting set of confidence intervals achieves minimum possible average size, and even in comparison with confidence sets not required to be intervals it attains the minimum possible cardinality most of the time, and always within 1. The method compares favorably with existing methods not only in the size of the intervals but also in the time required to compute them. The available R package hyperMCI implements the proposed method.</p

Catalytic Asymmetric Synthesis of 3‑Hydroxy-3-trifluoromethyl Benzofuranones via Tandem Friedel–Crafts/Lactonization Reaction

A highly enantioselective and regioselective chiral Lewis acid catalyzed tandem Friedel–Crafts/lactonization reaction is reported, providing direct access to plenty of 3-hydroxy-3-trifluoromethyl benzofuran-2-ones in up to 94% yields with up to >99% ee. Mechanistic study reveals that the interactions between the phenolic hydroxyl group and trifluoropyruvate are the most likely contributing factor to the high enantio- and regioselectivity. Optically pure (−)-BHFF can be obtained in gram-scale with 0.05 mol % catalyst, demonstrating the potentially utility of this method in medicinal chemistry

Technical data of leachate and treated effluent.

<p>COD_Cr: chemical oxygen demand; BOD₅: five-day's biochemical oxygen demand; TN: total nitrogen; TP: total phosphorus; TSS: total suspended solids.</p

<i>γ</i>-GTP activity in gonad (A) and GSI (B) of exposed male goldfish.

<p>Male goldfish were exposed to dechlorinated tap water, 100% treated effluent, 0.5% diluted MBR outlet, and 0.5% diluted landfill leachate (designated Tap Water, Effluent, MBR Outlet, and Leachate, respectively) for 28 days in a semi-static exposure system. Data are presented as the mean ± standard deviation (n = 24). Values with different letters denote statistically significant differences according to a one-way ANOVA analysis (<i>p</i><0.05).</p

Asymmetric Annulation of Donor–Acceptor Cyclopropanes with Dienes

An efficient [4 + 3] cycloaddition reaction of D–A cyclopropanes with dienes has been successfully developed. The reaction proceeds well with various dienolsilyl ethers in the presence of Lewis acid, delivering a variety of cycloheptenes and [<i>n</i>,5,0]­carbobicycles with excellent stereoselectivity. The asymmetric version of this reaction is also realized using a newly designed chiral Cy-TOX ligand, providing a new approach to access optically active cycloheptenes and [<i>n</i>,5,0]­carbobicycles. Mechanisic study reveals that the reaction involves a stepwise pathway, which undergoes an unusual ring opening of five-membered [3 + 2] intermediate and sequential intramolecular cyclization to afford the thermodynamically stable [4 + 3] annulation product

Mean concentrations of target EEs measured by GC-MS and EEQs of different samples.

<p>The estrogen equivalent quantity (EEQ) was defined as the sum of the concentration for each individual compound after multiplying an estradiol equivalency factor derived from previous studies <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0095597#pone.0095597-Behnisch1" target="_blank">[17]</a>, <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0095597#pone.0095597-Api1" target="_blank">[73]</a>–<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0095597#pone.0095597-Liu1" target="_blank">[76]</a>. E₁, E₂, E₃, EE₂, and DNOP were under detection limits.</p

Western blot of plasma from treated and control male fish.

<p>Lane 1: plasma from E₂ injected fish (20×); Lane 2: plasma from effluent exposed fish; Lane 3: plasma from 0.5% diluted MBR outlet exposed fish; Lane 4: plasma from 0.5% diluted leachate exposed fish; Lane 5: plasma from negative control male. Primary antibody: rabbit anti-goldfish Vtg serum (diluted 1∶600). Secondary antibody: goat anti-rabbit IgG horseradish peroxidase conjugate (diluted 1∶1600).</p

Quantification of plasma sex steroid levels in exposed male fish.

<p>Male goldfish were exposed to dechlorinated tap water, 100% treated effluent, 0.5% diluted MBR outlet, and 0.5% diluted landfill leachate (designated Tap Water, Effluent, MBR Outlet, and Leachate, respectively) for 28 days in a semi-static exposure system. Data are presented as the mean ± standard deviation (n = 24). Values with different letters denote statistically significant differences according to a one-way ANOVA analysis (<i>p</i><0.05).</p

Asymmetric Annulation of Donor–Acceptor Cyclopropanes with Dienes

An efficient [4 + 3] cycloaddition reaction of D–A cyclopropanes with dienes has been successfully developed. The reaction proceeds well with various dienolsilyl ethers in the presence of Lewis acid, delivering a variety of cycloheptenes and [<i>n</i>,5,0]­carbobicycles with excellent stereoselectivity. The asymmetric version of this reaction is also realized using a newly designed chiral Cy-TOX ligand, providing a new approach to access optically active cycloheptenes and [<i>n</i>,5,0]­carbobicycles. Mechanisic study reveals that the reaction involves a stepwise pathway, which undergoes an unusual ring opening of five-membered [3 + 2] intermediate and sequential intramolecular cyclization to afford the thermodynamically stable [4 + 3] annulation product

Highly Diastereoselective and Enantioselective Formal [4 + 3] Cycloaddition of Donor–Acceptor Cyclobutanes with Nitrones

The first highly diastereoselective and enantioselective catalytic formal [4 + 3] cycloaddition of 1,1-cyclobutane diester with nitrone has been developed. Sterically hindered chiral SaBOX/Cu­(II) complex promotes the reaction efficiently with a broad substrate scope, producing a range of multifunctionalized optically active 1,2-oxazepanes with excellent stereocontrol (up to >99/1 dr and 97% ee)