An unorthodox hydroxymethylation of MEM-protected glucals

During the preparation of 1-tributylstannyl glucals from 1-phenylsulfinyl glycosides an unexpected side reaction was observed for 2,3,4,6-tetra-O-methoxyethoxy (MEM) protected 1-phenylsulfinyl glucoside. Treatment of the latter with lithium diisopropylamide (LDA) afforded the expected, fully MEM protected 1-phenylsulfinyl glucal accompanied by variable amounts of an unexpected 1-phenylsulfinyl 2-hydroxymethyl-3,4,6-tri-O-methoxyethoxyglucal. The amount of the side product rose with increasing concentration of the starting material.     

Linear and nonlinear optical susceptibilities for a novel borate oxide BaBiBO4: Theory and experiment

The linear and nonlinear optical susceptibilities for different tensor components of BaBiBO₄ single crystals have been calculated using the full-potential linear augmented plane wave method. The results of these calculations are verified by our measurements of linear and nonlinear optical properties using Nd-YAG laser at fundamental wavelength 1064 nm. The calculated energy gap is in a good agreement with experimental energy gap data obtained by optical absorption. We present results for the imaginary and real parts of the frequency-dependent dielectric constant. The calculated birefringence of BaBiBO₄ is positive in agreement with the experimental data. Calculations are reported for the frequency-dependent complex part of second-order nonlinear optical susceptibilities . The linear and nonlinear optical susceptibilities are scissors corrected to match the value of the energy gap from the local density approximation calculations with the experimental value. The second harmonic generation efficiency of this compound is about five times larger than KDP (KH₂PO₄). It is crucial that we have obtained a large anisotropy of the second-order susceptibilities for three main second-order tensor components both experimentally and theoretically. The possible origin of the obtained anisotropy is discussed within a framework of the energy band calculations.     

高功率LDA紧密侧面抽运Nd:YLF两级双程离轴放大系统实验研究

 介绍了一台10mm口径两级双程离轴放大系统，实现了对5mm×5mm口径光束的激光放大，耦合系统采用高功率LDA紧密侧面直接抽运棒状Nd:YLF方式。分析并实验研究了在不同抽运电流、放大脉冲与放大器LDA抽运时刻的不同延时及不同注入能量条件下，放大系统及光束每次放大时放大特性的规律。实验得到：在放大系统5mm×5mm软光阑处注入1.58mJ能量时，放大系统可输出129.2mJ能量，能量提取效率达到19.5%，满足该系统的设计指标。     

Nano‐Graphene Oxide Based Multichannel Sensor Arrays towards Sensing of Protein Mixtures

Optical array‐based sensors are attractive candidates for the detection of various bio‐analytes due to their convenient fabrication and measurements. For array‐based sensors, multichannel arrays are more advantageous and used frequently in many electronic sensors. But most reported optically array based sensors are constructed on a single channel array. This difficulty is mainly instigated from the overlap in optical responses. In this report we have used nano‐graphene oxide (nGO) and suitable fluorophores as sensor elements to construct a multichannel sensor array for the detection of protein analytes. By using the optimized multichannel array we are able to detect different proteins and mixtures of proteins with 100 % classification accuracy at sub‐nanomolar concentration. This modified method expedites the sensing analysis as well as minimizes the use of both analyte and sensor elements in array‐based protein sensing. We have also used this system for the single channel array‐based sensing to compare the sensitivity and the efficacy of these two systems for other applications. This work demonstrated an intrinsic trade‐off associated with these two methods which may be necessary to balance for array‐based analyte detections.     

Multivariate analysis approach to the plasma protein profile of patients with advanced colorectal cancer

The aim of the present study was to identify the pattern of plasma protein species of interest as markers of colorectal cancer (CRC). Using matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS), the plasma protein profile was determined in nine stage IV CRC patients (study group) and nine clean-colon healthy subjects (control group). Multivariate analysis methods were employed to identify distinctive disease patterns at protein spectrum. In the study and control groups, cluster analysis (CA) on the complete MALDI-MS spectra plasma protein profile showed a distinction between CRC patients and healthy subjects, thus allowing the identification of the most discriminating ionic species. Principal component analysis (PCA) and linear discriminant analysis (LDA) yielded similar grouping results. LDA with leave-one-out cross validation achieved a correct classification rate of 89% in both the patients and the healthy subjects.     

First-principles study of SnS electronic properties using LDA,PBE and HSE06 functionals

Recently, tin sulphide (SnS) has emerged as a promising alternative to conventional CIGS and CZTC for use in solar cells, possessing such properties as non-toxicity, low cost and production stability. SnS has a high theoretically predicted efficiency above 20%, but the experimentally achieved efficiency so far is as low as 4.36%. The reason for the low achieved efficiency is unclear. One of the powerful tools to get deeper insights about the nature of the problem is first-principles calculation approaches. That is why SnS has become an attractive subject for first-principles calculations recently. Previously calculated data, however, show a widespread of such fundamental value as the bandgap varying from 0.26 to 1.26 eV. In order to understand a reason for that, in this work, we concentrate on a systematic study of calculation parameters effects on the resulting electronic structure, with the particular attention paid to the influence of the exchange-correlation functional chosen for calculations. Several exchange-correlation functionals (LDA, PBE and HSE06) were considered. The systematic analysis has shown that the bandgap variation can result from a tensile/compressive hydrostatic pressure introduced by non-equilibrium lattice parameters used for the calculations. The study of the applicability of three functionals has shown that HSE06 gives the best match to both experimentally obtained bandgap and the XPS valence band spectra. LDA underestimates the bandgap but qualitatively reproduces experimentally measured valence DOS similar to that of HSE06 in contrast to PBE. PBE underestimates the bandgap and does not match to the measured XPS spectra.