The experimental study of exotic nuclear states using multi-detector arrays

This contribution outlines the work of the CHARISSA collaboration in the investigation of exotic states in nuclei. It outlines the background to the work, the techniques involved and discusses in detail an experiment to study the cluster structure of ¹²Be.     

The purity of SnCl4 as monitored by 35Cl nuclear quadrupole resonance

The nuclear quadrupole resonance (NQR) spectroscopy was used to control the comparative purity of three SnCl₄ samples subjected to successive stages of deep purification. The results showed that at 77 K the samples were identical in purity degree due to the ‘freezing’ of impurities into a separate fraction not affecting the perfection of the SnCl₄ crystal lattice. The results of relaxation measurements suggest that paramagnetic impurity atoms (Fe and Cr) contained in the samples in small amounts might be embedded into the crystal lattice causing extremely long spin–spin relaxation time.     

Time-Resolved Chemically Induced Dynamic Nuclear Polarization of Biologically Important Molecules

In this work, we review the hyperpolarization technique named chemically induced dynamic nuclear polarization (CIDNP), focusing on the time-resolved variant of this method and its biological applications. We introduce the main principles of polarization formation in liquids at high magnetic fields, provided by the so-called spin sorting mechanism. Applications of CIDNP to studying fast reactions of short-lived free radicals of biologically important molecules are discussed, as well as the potential of the method to probe the structure and magnetic parameters of such radicals. We also explain the principles of protein CIDNP and discuss applications of time-resolved CIDNP to studies of protein structure and dynamics.     

Corncob-to-xylose residue (CCXR) derived porous biochar as an excellent adsorbent to remove organic dyes from wastewater

Biochar was prepared from corncob-to-xylose residue (CCXR) by KOH activation and anaerobic pyrolysis method. The effect of activation temperature on the microstructure of the biochar was studied. Results showed that the biochar prepared at 850°C (850NBC) possessed high specific surface area and exhibited excellent adsorption property. The maximum adsorption capacity of 2249 mg g⁻¹ was obtained when 850NBC was used for treating methylene blue (MB) solution. Adsorption isotherm fittings revealed that Langmuir and Freundlich models were applicable to 850NBC adsorption process, and the adsorption process was limited by adsorption site and the biochar surface functional groups. Furthermore, 850NBC showed good adsorption property when it was used to treat the other organic dyes of Congo red (751 mg g⁻¹), Orange II (735 mg g⁻¹), Indigo carmine (662 mg g⁻¹) and Methyl Orange (465 mg g⁻¹). Biochar 850NBC also possessed an acceptable recyclability which maintained 68.7% absorption capacity after 6 cycles when it was used to treat MB solution. These results proposed that 850NBC is expected to be a promising potential adsorbent for treating organic dyes waste water.     

基于数值计算模拟的仿真核磁共振波谱仪开发

核磁共振（NMR）波谱是研究有机分子结构的重要工具之一，其设备昂贵、仪器数量有限、科研机时安排紧凑、教学实验机时有限；若学生的NMR理论和实验基础较为薄弱，则易发生误操作损坏设备或降低设备性能；另外，NMR实验涉及流程较多、教学耗时较长.因此，针对学生的NMR实验教学难以广泛开展.为将虚拟技术更好地用于辅助NMR实验教学，本文基于数值模拟仿真技术，开发了具备真实NMR波谱仪基本功能的仿真NMR波谱仪——VMRS1.0软件.VMRS1.0软件可实现真实NMR实验须进行的调谐匹配、匀场、锁场、射频脉冲调节、原始数据采集等操作步骤，以及快速傅里叶变换、相位校正、自动寻峰、积分、测距、化学位移校正等基本数据处理功能；除简单的1D ¹H和¹³C NMR波谱采集和数据处理外，还可模拟去偶、DEPT、HSQC等相对复杂的实验；另外，该软件可自行虚拟编辑¹H或¹³C NMR实验样品.VMRS1.0软件摆脱硬件条件的限制，实现了与真实NMR实验类似的教学效果，可以让学生通过反复操作调试，更充分地掌握NMR基本原理和实验技能，再配合在真实NMR谱仪上的少量实际操作，可达到更加令人满意的实验教学效果.     

Structural Insights into Peptides Bound to the Surface of Silica Nanopores

The structure and surface functionalization of biologically relevant silica-based hybrid materials was investigated by 2D solid-state NMR techniques combined with dynamic nuclear polarization (DNP). This approach was applied to a model system of mesoporous silica, which was modified through in-pore grafting of small peptides by solid-phase peptide synthesis (SPPS). To prove the covalent binding of the peptides on the surface, DNP-enhanced solid-state NMR was used for the detection of ¹⁵N NMR signals in natural abundance. DNP-enhanced heterocorrelation experiments with frequency switched Lee–Goldburg homonuclear proton decoupling (¹H–¹³C and ¹H–¹⁵N CP MAS FSLG HETCOR) were performed to verify the primary structure and configuration of the synthesized peptides. ¹H FSLG spectra and ¹H-²⁹Si FSLG HETCOR correlation spectra were recorded to investigate the orientation of the amino acid residues with respect to the silica surface. The combination of these NMR techniques provides detailed insights into the structure of amino acid functionalized hybrid compounds and allows for the understanding for each synthesis step during the in-pore SPPS.     

基于神经网络拟合的腹部化学交换饱和转移成像

磁共振成像（Magnetic Resonance Imaging，MRI）化学交换饱和转移（Chemical Exchange Saturation Transfer，CEST）技术在临床诊断中展现了巨大的潜力，但在腹部成像中受到主磁场偏移量大的挑战，而且利用传统的非对称性分析法得到的酰胺质子转移（Amide Proton Transfer，APT）成像对比度受到核奥氏增强（Nuclear Overhauser Enhancement，NOE）效应的干扰.本文提出了一种基于神经网络拟合的CEST后处理方法，对每个像素采集得到的Z谱特征进行识别，不需要额外序列扫描即可得到背景参考Z谱与主磁场偏移量，用以校正和获得理想的Z谱，并进一步分离得到源自APT效应与NOE效应的信号.鸡蛋清和健康志愿者腹部成像结果显示，本文提出的基于神经网络的CEST后处理方法效果较好.     

A binderless,covalently bulk modified electrochemical sensor: Application to simultaneous determination of lead and cadmium at trace level

A new type of covalent binderless bulk modified electrode has been fabricated and used in the simultaneous determination of lead and cadmium ions at nanomolar level. The modification of graphitic carbon with 4-amino salicylic acid was carried out under microwave irradiation through the amide bond formation. The electrochemical behavior of the fabricated electrode has been carried out to decipher the interacting ability of the functional moieties present on the modifier molecules toward the simultaneous determination of Pb²⁺ and Cd²⁺ ions using cyclic and differential pulse anodic stripping voltammetry. The possible mode of interaction of functional groups with metal ions is proposed based on the pKa values of the modifier functionalities present on the surface of graphitic carbon particles. The analytical utility of the proposed sensor has been validated by measuring the lead and cadmium content from pretreated waste water samples of lead acid batteries.     

A new simple,low-cost approach for generation of the PM10 fraction from soil and related materials: Application to human health risk assessment

A new simple, robust and low-cost wet laboratory method for the generation of the <10 μm (PM₁₀) particle size fraction is reported. A sedimentation method is directly compared with a centrifugation method for generation of the PM₁₀ fraction. Both approaches are based on an integrated form of Stokes’ law. Subsequently the sedimentation method was adopted. The results from the sedimentation method were corroborated using particle size distribution measurements. This approach for the generation of the PM₁₀ fraction was applied to soil and mine waste samples from Mitrovica, Kosovo as part of an investigation in to the human risk assessment from inhalation of the PM₁₀ fraction containing potentially harmful elements (PHEs). The average daily dose for Cd from the inhalation of suspended soil particles was calculated to be 0.021 and 0.010 μg kg⁻¹_BW d⁻¹ for a child and an adult, respectively. This corresponded to an inhalation dose of 0.50 and 0.70 μg Cd d⁻¹ for a child (20 kg) and an adult (70 kg), respectively.