Essential Amino Acid–Enabled Lead Bromide Perovskite Nanocrystals with High Stability

This work reports the first synthesis of MAPbBr₃ perovskite nanocrystals (PNCs) using amino acids as the ligand with excellent optical properties. A variety of amino acids are used to optimize the luminescence properties. A mechanochemical approach has taken lead over conventional colloidal chemistry during synthesis. All morphological and optical studies are performed to characterize the synthesized perovskite nanoparticles. Later, stability studies are investigated through thermogravimetric analysis, temperature‐dependent photoluminescence, time‐dependent X‐ray diffraction, as well as X‐ray photoelectron spectroscopy. In an application, interestingly, these perovskites show high luminescence upon scratching on flexible conducting plates and on plain paper surface. These results suggest that the amino acid–ligated perovskite nanocrystals can be potential materials for optoelectronic application including light‐emitting diodes and imaging.     

Initial classification of joint data in EM estimation of latent class joint model

The latent class mixture-of-experts joint model is one of the important methods for jointly modelling longitudinal and recurrent events data when the underlying population is heterogeneous and there are nonnormally distributed outcomes. The maximum likelihood estimates of parameters in latent class joint model are generally obtained by the EM algorithm. The joint distances between subjects and initial classification of subjects under study are essential to finding good starting values of the EM algorithm through formulas. In this article, separate distances and joint distances of longitudinal markers and recurrent events are proposed for classification purposes, and performance of the initial classifications based on the proposed distances and random classification are compared in a simulation study and demonstrated in an example.     

Characterisation of the steady state tube furnace (ISO TS 19700) for fire toxicity assessment

The steady state tube furnace (Purser furnace, ISO TS 19700) has been developed specifically to replicate the generation of toxic products from real fires under different fire conditions on a bench-scale. Steady state burning is achieved by driving the sample into a furnace of increasing heat flux at a fixed rate and recording the product yields over a steady state period in the middle of the run. The furnace, sample, and effluent dilution chamber temperature profiles are presented to characterise the conditions in the apparatus. The distribution of smoke in the mixing chamber has been investigated to demonstrate the efficiency of mixing in the effluent dilution chamber. The heat flux applied to the sample at various points through the furnace has been measured, showing that conditions vary from those typical of pre-flaming to fully developed fires. An initial investigation of the repeatability and interlaboratory reproducibility has been undertaken, showing acceptable low levels of uncertainty in the toxic product yields.     

Response ofClostridium Acetobutylicum to the presence of mixed extractants

The volumetric productivity of many fermentations is productlimited.In situ removal of these products with liquid organic extractants is limited by either a low product distribution coefficient or toxicity of the extractant. This paper presents results from studies using mixed extractants, namely mixtures of toxic extractants that have high distribution coefficients for the product and nontoxic extractants that have low distribution coefficients. The production of butanol byClostridium acetobutylicum was chosen as a model system for these studies. The mechanisms of toxicity of mixed extractants and the observed responses to their presence are discussed.     

1-取代-2-氨基苯并咪唑衍生物的理论计算及QSAR研究

在B3LYP/6-31＋g(d)计算水平下, 通过运用密度泛函理论(DFT)量子化学方法, 对7种1-取代-2-氨基苯并咪唑衍生物的电子结构特征进行了研究, 获得了它们的电离能、亲合能、化学硬度、化学软度、化学势、电负性、亲电性、分配系数、折射率、极化率、分子体积和分子表面积等参数. 结果表明, 在2-氨基苯并咪唑衍生物的1位引入取代基团, 对化合物的电荷布居和结构性质都有较大的影响|关联了定量结构-活性关系(QSAR), 7种化合物的半数致死量LD₅₀与极化率等有较好的相关性. 这些结果可为1-取代-2-氨基苯并咪唑衍生物的氧化代谢实验研究和毒性机理揭示等提供重要信息.     

A New Phenolic Diglycoside Produced in Response to Copper Toxicity and a New Flavan Dimer from the Leaves of Viburnum ichangense (Hemsl.) Rehd.

A new phenolic digycoside 1 was produced as stress metabolite in the fresh leaves of Viburnum ichangense (Hemsl.) Rehd ., in response to abiotic stress elicitation by CuCl₂. The stress metabolite was characterized as 1‐O‐[α‐L ‐arabinofuranosyl(1→6)‐β‐D ‐glucopyranosyl]‐erythro‐1,2‐bis(4‐hydroxy‐3‐methoxyphenyl)propane‐1,3‐diol ( 1 ). A new flavan dimer, 2,3‐epoxyflavan‐3′,4′,5,7‐tetraol‐(4→8″)‐flavan‐3″,3′′′,4′′′,5′′′,6″‐pentaol ( 2 ), and two known compounds, hovetrichoside A ( 3 ) and asperglaucide ( 4 ), were also isolated. Their structures were established by spectroscopic means.     

Qualitative and quantitative determination of polyacetylenes in different Bupleurum species by high performance liquid chromatography with diode array detector and mass spectrometry

Polyacetylenes are main toxic ingredients in Bupleurum longiradiatum, a poisonous plant that has ever been misused as substitutes for Chaihu (Bupleuri Radix). For the first time, a high-performance liquid chromatography method coupled with diode array detector and mass spectrometry (HPLC-DAD-MS) was developed for qualitative and quantitative analysis of nine polyacetylenes in Bupleurum species. All references, including two new polyacetylenes, were isolated from B. longiradiatum and purified using a semi-preparation HPLC chromatography. The analysis was performed on a TSKgel ODS-100V C18 column (3 μm, 150 mm x 4.6 mm i.d.) using a gradient system of acetonitrile and water, with diode array detection (254 nm). The method was validated for linearity, precision, accuracy, limit of detection and quantification. A total of 27 Bupleurum samples were examined with this method, which showed a great variety in the distribution and contents of the polyacetylenes. It was found that polyacetylenes (1-8) were the main ingredients in B. longiradiatum, while a few kinds of polyacetylenes (5-8) were also identified in B. smithii, B. smithii var. parvifolium, B. bicaule and B. angustissimum. However, no polyacetylenes (1-9) were detected in the authentic Chaihu samples and the other Bupleurum species. The results indicated that the toxic B. longiradiatum could readily be distinguished from other medicinal Bupleurum species based on the polyacetylene profiles, and the guidelines and quality control of polyacetylenes for Chaihu are useful. The acute toxicity of the ethanol extract of B. longiradiatum and its fractions was also investigated.     

Observation of dimethylaminoethyl methacrylate–myoglobin binding reaction using laser spray mass spectrometry

Covalent bonds are often created by a reaction between chemicals and protein before causing various adverse effects in a cell. Dimethylaminoethyl methacrylate (DMAEMA), which has moderate toxicity, causes skin inflammation and throat irritation. For this study, we investigated a reaction mechanism between myoglobin and (DMAEMA) using a new analytical tool developed at our laboratory: laser spray mass spectrometry technique. It was found that initially DMAEMA was added to the amino group of protein by the Michael addition mechanism; the added DMAEMA was hydrolyzed to methacrylic acid using an autocatalytic system. The results of this study indicate the feasibility of the laser spray technique in analyses of reaction dynamics. Copyright © 2012 John Wiley & Sons, Ltd.     

Characterization of lead and lead leaching properties of lead glazed ceramics from the Solis Valley, Mexico, using inductively coupled plasma-mass spectrometry (ICP-MS) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFT)

Ingestion of relatively small amounts of lead is now recognized to cause significant neurological and cognitive effects in humans. Large quantities may be fatal, yet lead poisoning, especially of children, is still a major public health concern in many parts of the world. In rural Mexican communities lead oxide (PbO) is added to ceramic glaze as a fluxing agent, lowering starting firing temperatures to 500 °C. The purpose of this study is to characterize the lead chemical forms in ceramic glazes from the Solis Valley, Mexico, to investigate lead leaching properties of these ceramics, and to demonstrate the applicability of lead isotope signatures as a means of tracing lead source origins. Ceramics were collected from the rural village of Santa Maria de Canchesda, State of Mexico, Mexico. Dried liquid glazes, post-fired glaze material, and pure PbO were analyzed by diffuse reflectance infrared Fourier transform spectroscopy (DRIFT). Results from DRIFT analysis indicate that PbO (1429 cm⁻¹ band) is the active form of lead found in liquid glazes and ceramics. Some shifting of 1429 cm⁻¹ PbO peak to lower wavenumbers occurs in post-fired ceramics, and this may be due to the formation of lead bisilicate during firing. Ceramics samples were leached in 0.02 M citric acid solution for 1 min, and leached lead concentrations were measured using inductively coupled plasma-mass spectrometry (ICP-MS). Lead concentrations in these leachates varied from 0.4-80.4 μg ml⁻¹, while the control pottery from the US leached only 0.1 μg ml⁻¹ lead. Elemental distributions on glaze surfaces were identified by laser ablation (LA)-ICP-MS. Nitric acid extracts of soils, teeth, and ceramic glazes were analyzed for lead isotope ratios (²⁰⁷Pb/²⁰⁶Pb vs. ²⁰⁸Pb/²⁰⁶Pb) using ICP-MS. Similarities of tooth and ceramic lead isotope ratios indicate that ceramics may be a substantial source of body lead burden in the Solis Valley. This study demonstrates the applicability of lead isotope ratios for lead source identification, and it identifies potential health risks from ceramic use induced lead toxicity within the Solis Valley.