2,2′-Bis(prop-2-yn­yloxy)-1,1′-binaphth­yl

In the title compound, C26H18O2, the mol­ecule is located on a twofold rotation axis. The two naphthyl ring planes in the mol­ecule are nearly perpendicular to each other [dihedral angle = 82.42 (1)°. No classical hydrogen bonds or aromatic π–π stacking inter­actions were observed

Discovery of the Consistently Well-Performed Analysis Chain for SWATH-MS Based Pharmacoproteomic Quantification

Sequential windowed acquisition of all theoretical fragment ion mass spectra (SWATH-MS) has emerged as one of the most popular techniques for label-free proteome quantification in current pharmacoproteomic research. It provides more comprehensive detection and more accurate quantitation of proteins comparing with the traditional techniques. The performance of SWATH-MS is highly susceptible to the selection of processing method. Till now, ≥27 methods (transformation, normalization, and missing-value imputation) are sequentially applied to construct numerous analysis chains for SWATH-MS, but it is still not clear which analysis chain gives the optimal quantification performance. Herein, the performances of 560 analysis chains for quantifying pharmacoproteomic data were comprehensively assessed. Firstly, the most complete set of the publicly available SWATH-MS based pharmacoproteomic data were collected by comprehensive literature review. Secondly, substantial variations among the performances of various analysis chains were observed, and the consistently well-performed analysis chains (CWPACs) across various datasets were for the first time generalized. Finally, the log and power transformations sequentially followed by the total ion current normalization were discovered as one of the best performed analysis chains for the quantification of SWATH-MS based pharmacoproteomic data. In sum, the CWPACs identified here provided important guidance to the quantification of proteomic data and could therefore facilitate the cutting-edge research in any pharmacoproteomic studies requiring SWATH-MS technique

Assessing the Effectiveness of Direct Data Merging Strategy in Long-Term and Large-Scale Pharmacometabonomics

Because of the extended period of clinic data collection and huge size of analyzed samples, the long-term and large-scale pharmacometabonomics profiling is frequently encountered in the discovery of drug/target and the guidance of personalized medicine. So far, integration of the results (ReIn) from multiple experiments in a large-scale metabolomic profiling has become a widely used strategy for enhancing the reliability and robustness of analytical results, and the strategy of direct data merging (DiMe) among experiments is also proposed to increase statistical power, reduce experimental bias, enhance reproducibility and improve overall biological understanding. However, compared with the ReIn, the DiMe has not yet been widely adopted in current metabolomics studies, due to the difficulty in removing unwanted variations and the inexistence of prior knowledges on the performance of the available merging methods. It is therefore urgently needed to clarify whether DiMe can enhance the performance of metabolic profiling or not. Herein, the performance of DiMe on 4 pairs of benchmark datasets was comprehensively assessed by multiple criteria (classification capacity, robustness and false discovery rate). As a result, integration/merging-based strategies (ReIn and DiMe) were found to perform better under all criteria than those strategies based on single experiment. Moreover, DiMe was discovered to outperform ReIn in classification capacity and robustness, while the ReIn showed superior capacity in controlling false discovery rate. In conclusion, these findings provided valuable guidance to the selection of suitable analytical strategy for current metabolomics

Anisotropic Polymer Adsorption on Molybdenite Basal and Edge Surfaces and Interaction Mechanism With Air Bubbles

The anisotropic surface characteristics and interaction mechanisms of molybdenite (MoS2) basal and edge planes have attracted much research interest in many interfacial processes such as froth flotation. In this work, the adsorption of a polymer depressant [i.e., carboxymethyl cellulose (CMC)] on both MoS2 basal and edge surfaces as well as their interaction mechanisms with air bubbles have been characterized by atomic force microscope (AFM) imaging and quantitative force measurements. AFM imaging showed that the polymer coverage on the basal plane increased with elevating polymer concentration, with the formation of a compact polymer layer at 100 ppm CMC; however, the polymer adsorption was much weaker on the edge plane. The anisotropy in polymer adsorption on MoS2 basal and edge surfaces coincided with water contact angle results. Direct force measurements using CMC functionalized AFM tips revealed that the adhesion on the basal plane was about an order of magnitude higher than that on the edge plane, supporting the anisotropic CMC adsorption behaviors. Such adhesion difference could be attributed to their difference in surface hydrophobicity and surface charge, with weakened hydrophobic attraction and strengthened electrostatic repulsion between the polymers and edge plane. Force measurements using a bubble probe AFM showed that air bubble could attach to the basal plane during approach, which could be effectively inhibited after polymer adsorption. The edge surface, due to the negligible polymer adsorption, showed similar interaction behaviors with air bubbles before and after polymer treatment. This work provides useful information on the adsorption of polymers on MoS2 basal/edge surfaces as well as their interaction mechanism with air bubbles at the nanoscale, with implications for the design and development of effective polymer additives to mediate the bubble attachment on solid particles with anisotropic surface properties in mineral flotation and other engineering processes

Aqua(3-formyl-2-oxidobenzoato-κ2O1,O2)(1,10-phenanthroline-κ2N,N′)copper(II) methanol solvate

In the structure of the title complex, [Cu(C8H4O4)(C12H8N2)(H2O)]·CH4O, the CuII ion is pentacoordinated in a tetragonal–pyramidal geometry, with two O atoms of the 3-formyl-2-oxidobenzoate (3-formylsalicylate) anion and two N atoms of 1,10-phenanthroline occupying the basal plane, and a water O atom located at the apical site. The structure displays O—H...O hydrogen bonding

Measuring forces and spatiotemporal evolution of thin water films between an air bubble and solid surfaces of different hydrophobicity.

A combination of atomic force microscopy (AFM) and reflection interference contrast microscopy (RICM) was used to measure simultaneously the interaction force and the spatiotemporal evolution of the thin water film between a bubble in water and mica surfaces with varying degrees of hydrophobicity. Stable films, supported by the repulsive van der Waals-Casimir-Lifshitz force were always observed between air bubble and hydrophilic mica surfaces (water contact angle, θ(w) < 5°) whereas bubble attachment occurred on hydrophobized mica surfaces. A theoretical model, based on the Reynolds lubrication theory and the augmented Young-Laplace equation including the effects of disjoining pressure, provided excellent agreement with experiment results, indicating the essential physics involved in the interaction between air bubble and solid surfaces can be elucidated. A hydrophobic interaction free energy per unit area of the form: WH(h) = -γ(1 - cos θ(w))exp(-h/D(H)) can be used to quantify the attraction between bubble and hydrophobized solid substrate at separation, h, with γ being the surface tension of water. For surfaces with water contact angle in the range 45° < θ(w) < 90°, the decay length DH varied between 0.8 and 1.0 nm. This study quantified the hydrophobic interaction in asymmetric system between air bubble and hydrophobic surfaces, and provided a feasible method for synchronous measurements of the interaction forces with sub-nN resolution and the drainage dynamics of thin films down to nm thickness