A theoretical method, taking into account the anisotropy of the internal magnetic field (B⃑int), is proposed to predict the rate of quantum tunneling of magnetization (QTM), i.e., τQTM−1, for Kramers single-ion magnets (SIMs).

There has been tremendous progress in top-down proteomics (TDP) in the past 5 years, particularly in intact protein separation and high-resolution mass spectrometry. However, bioinformatics to deal with large-scale mass spectra has lagged behind, in both algorithmic research and software development. In this study, we developed pTop 1.0, a novel software tool to significantly improve the accuracy and efficiency of mass spectral data analysis in TDP. The precursor mass offers crucial clues to infer the potential post-translational modifications co-occurring on the protein, the reliability of which relies heavily on its mass accuracy. Concentrating on detecting the precursors more accurately, a machine-learning model incorporating a variety of spectral features was trained online in pTop via a support vector machine (SVM). pTop employs the sequence tags extracted from the MS/MS spectra and a dynamic programming algorithm to accelerate the search speed, especially for those spectra with multiple post-translational modifications. We tested pTop on three publicly available data sets and compared it with ProSight and MS-Align+ in terms of its recall, precision, running time, and so on. The results showed that pTop can, in general, outperform ProSight and MS-Align+. pTop recalled 22% more correct precursors, although it exported 30% fewer precursors than Xtract (in ProSight) from a human histone data set. The running speed of pTop was about 1 to 2 orders of magnitude faster than that of MS-Align+. This algorithmic advancement in pTop, including both accuracy and speed, will inspire the development of other similar software to analyze the mass spectra from the entire proteins.

The dibenzothiophene (DBT) desulfurization pathway of a facultative thermophilic bacterium Mycobacterium sp. X7B was investigated. Metabolites were identified by gas chromatography-mass spectrometry, and the results showed that 2-hydroxybiphenyl, the end product of the previously reported sulfur-specific pathway (also called 4S pathway), was further converted to 2-methoxybiphenyl. This is the first strain to possess this ability and therefore, an extended 4S pathway was determined. In addition, the DBT-desulfurizing bacterium Mycobacterium sp. X7B was able to grow on DBT derivatives such as 4-methylDBT and 4,6-dimethylDBT. Resting cells could desulfurize diesel oil (total sulfur, 535 ppm) after hydrodesulfurization. GC flame ionization detection and GC atomic emission detection analyses were used to qualitatively evaluate the effect of Mycobacterium sp. X7B treatment on the content of the diesel oil. The total sulfur content of the diesel oil was reduced 86% using resting cell biocatalysts for 24 h at 45 ‡C.

From its beginning, the measurement of optical rotation (OR) is crucial for the analysis of chiral molecules in many fields. However, the precision measurement of a weak OR signal with conventional setup remains elusive. In this Letter, we experimentally propose a precision method to determine the OR of glucose and fructose based on weak measurements. By using the spin Hall effect of light (SHEL) as a probe, a nonlinear weak measurements model is established that is applicable beyond the Aharonov-Albert-Vaidman (AAV) limit. Due to the high sensitivity of weak measurements amplification with respect to the OR, a tremendous variation of the amplified beam displacement of the SHEL is observed, while the concentration of glucose and fructose is slightly changed.

In this letter, we propose a precision method for phase estimation based on the weak-value amplification (WVA) technique using a monochromatic light source. The anomalous WVA significantly suppresses the technical noise with respect to the intensity difference signal induced by the phase delay when the post-selection procedure comes into play. The phase measured precision of this method is proportional to the weak-value of a polarization operator in the experimental range. Our results compete well with the wide spectrum light phase weak measurements and outperform the standard homodyne phase detection technique.

Factors affecting transfer percentages of 12 polycyclic aromatic hydrocarbons (PAHs) were investigated, including tea variety, tea/water ratio (TWR, g/mL), brewing times, washed tea or unwashed tea, and covered cup or uncovered cup. It was observed that %PAH transfer varied with tea variety and increased with the decrease of TWR. The mean %PAH transfer with TWR = 1/150 was 1.12 and 1.65 times higher than that with TWR = 1/100 and 1/50, respectively. %PAH transfer reduced greatly as the brewing times increased. The mean %PAH transfer in the first brewing time occupied 51.6% of the total three mean %PAH transfers in the three brewing times. The mean %PAH transfer decreased by 30.4% after the tea had been washed immediately before brewing. Brewing the tea within uncovered cup diminished %PAH transfer by a degree of 4.31-31.7% compared to brewing the tea within a covered cup.

No abstract

Al-2124 alloy reinforced with 17% vol. Sic particles with three sizes 3, 13, 37pm (MMCs) were tested under impact compression using a Split Hopkinson Pressure Bar(SHPB) system. Microexaminations of tested samples revealed microscopic characteristics of the formation of shear bands occurring in the MMCs. As a comparison, the matrix material, A1-2124 alloy was also tested. Shear bands formed more readily in Al-2124/SiCp reinforced with 3vm particles than in Al-2124 alloy and the alloy reinforced with 13 or 37pm Sic particles. The relations between microstructural distributions, spacing of Sic particles and formation of shear bands have been analysed.