Supplemental Material: Buoyancy-driven exhumation deformation: Evidence from the Sulu orogen, eastern China

Table S1: LA–ICP–MS zircon U–Pb data for the dated dike samples in the Sulu orogen.</p

Different Types of Peptide Detected by Mass Spectrometry among Fresh Silk and Archaeological Silk Remains for Distinguishing Modern Contamination

<div><p>Archaeological silk provides abundant information for studying ancient technologies and cultures. However, due to the spontaneous degradation and the damages from burial conditions, most ancient silk fibers which suffered the damages for thousands of years were turned into invisible molecular residues. For the obtained rare samples, extra care needs to be taken to accurately identify the genuine archaeological silk remains from modern contaminations. Although mass spectrometry (MS) is a powerful tool for identifying and analyzing the ancient protein residues, the traditional approach could not directly determine the dating and contamination of each sample. In this paper, a series of samples with a broad range of ages were tested by MS to find an effective and innovative approach to determine whether modern contamination exists, in order to verify the authenticity and reliability of the ancient samples. The new findings highlighted that the detected peptide types of the fibroin light chain can indicate the degradation levels of silk samples and help to distinguish contamination from ancient silk remains.</p></div

Solubility of 3‑Bromo-4-Hydroxybenzaldehyde in 16 Monosolvents at Temperatures from 278.15 to 323.15 K

The solubility of 3-bromo-4-hydroxybenzaldehyde in 16 monosolvents of n-pentanol, methanol, isobutanol, ethanol, ethylene glycol (EG), n-propanol, acetonitrile, isopropanol, N,N-dimethylformamide (DMF), n-butanol, n-octanol, cyclohexane, water, ethyl acetate, dimethylsulfoxide (DMSO), and 1,4-dioxane was attained through experiment via the saturation shake-flask method covering from 278.15 K to 323.15 K under local ambient pressure p = 101.2 kPa. The solubility magnitude in mole fraction of 3-bromo-4-hydroxybenzaldehyde in the selected solvents raised as the studied temperature raised and had the subsequent order in various monosolvents: (n-octanol, DMF) > 1,4-dioxane > (DMSO, n-pentanol) > n-butanol > isobutanol > ethyl acetate > n-propanol > isopropanol > ethanol > acetonitrile > EG > methanol > cyclohexane > water. The interactions of solvent–solute and solvent–solvent molecules were inspected by using a method of linear solvation energy relationships. The NRTL model, λh equation, modified Apelblat equation, and Wilson model were employed herein to mathematically correlate the solubility data. The results specified that the gained maximum relative average deviation (RAD) and root-mean-square deviation (RMSD) values through these models/equations were, respectively, 2.86 × 10–2 and 942.9 × 10–6. The RAD values were lower obtained through the modified Apelblat equation than the other equations/models for a given solvent. As well, the mixing properties of dissolution, activity coefficient at infinitesimal concentration, and reduced excess enthalpy were calculated based on the Wilson equation

The Full MS and MS/MS results of Peptide GAGAGSGAASGAGAGAGAGAGTGSSGFGPY from fresh silk in Table 1.

<p>(A) The full MS data. (B) The b-type and y-type ion fragments of the peptide after CID in MS/MS.</p

The detected peptide sequences of silk protein of fresh silk.

<p>All amino acid sequences are from NCBI (20121001). G, A, Y, S, V respectively are the abbreviations of glycine, alanine, tyrosine, serine and valine. The data details of each sample were shown in Supplementary Information (<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0132827#pone.0132827.s005" target="_blank">S1</a>, <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0132827#pone.0132827.s006" target="_blank">S2</a>, <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0132827#pone.0132827.s007" target="_blank">S3</a>, <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0132827#pone.0132827.s008" target="_blank">S4</a> Tables).</p><p>The detected peptide sequences of silk protein of fresh silk.</p

Total Synthesis of Ascididemin-Type Alkaloids Using Alkyne Building Blocks

A common approach to ascididemin-type alkaloids, including ascididemin, bromoleptoclinidinone, neocalliactine acetate, and 11-hydroxyascididemin, based on a Brønsted acid-promoted tandem annulation has been developed. Alkyne building blocks were first designed and then employed in alkaloid synthesis; these building blocks can be accessed by a Sonogashira coupling reaction on a multigram scale

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO_2–<i>x</i> Film on Ir(111) during CO Oxidation

The spatially resolved identification of active sites on the heterogeneous catalyst surface is an essential step toward directly visualizing a catalytic reaction with atomic scale. To date, ferrous centers on platinum group metals have shown promising potential for low-temperature CO catalytic oxidation, but the temporal and spatial distribution of active sites during the reaction and how molecular-scale structures develop at the interface are not fully understood. Here, we studied the catalytic CO oxidation and the effect of co-adsorbed hydrogen on the FeO2–x/Ir­(111) surface. Combining scanning tunneling microscopy (STM), isotope-labeled pulse reaction measurements, and DFT calculations, we identified both FeO2/Ir and FeO2/FeO sites as active sites with different reactivity. The trilayer O–Fe–O structure with its Moiré pattern can be fully recovered after O2 exposure, where molecular O2 dissociates at the FeO/Ir interface. Additionally, as a competitor, dissociated hydrogen migrates onto the oxide film with the formation of surface hydroxyl and water clusters down to 150 K

The tendency of detected amount of peptide types.

<p>The tendency of detected amount of peptide types.</p

Synthesis of Fused Dihydropyrano(furano)pyridines via [4 + 2]-Cycloaddition of 5-Alkenoxy Substituted Oxazoles

A three-step procedure to access fused pyridines has been developed utilizing inexpensive amino acids and alkenols to form the key oxazole precursors. Yields are good to excellent and provide a rapid and inexpensive route to a range of pharmacologically and biologically valuable fused pyridines with difficult to access substitution patterns

MS/MS results of Peptide GAGAGAGY.

This figure shows data-dependent acquisition using the LTQ-Orbitrap XL for the peptide at m/z 623.27698 (GAGAGAGY) in Table 2 (M436 no. 1). The b- and y-type ion fragments of the peptide after CID in MS/MS.</p