Theoretical Study on Experimentally Detected Sc2S@C84

Sc₂S@C₈₄ has recently been detected but not structurally characterized. 1 Density functional theory calculations on C₈₄ and Sc₂S@C₈₄ show that the favored isomer of Sc₂S@C₈₄ shares the same parent cage as Sc₂C₂@C₈₄, whereas Sc₂S@C₈₄:51383, which violates the isolated‐pentagon rule, is the second lowest energy isomer with the widest HOMO–LUMO gap and shows high kinetic stability. The analysis shows that Sc₂S@C₈₄:51575 is favored when the temperature exceeds 2 800 K and it can transform into the most favorable isomer Sc₂S@C₈₄:51591. Molecular orbital analysis indicates that both Sc₂S and Sc₂C₂ formally transfer four electrons to the cage, and quantum theory of atoms in molecules analysis demonstrates that there is a covalent interaction between Sc₂S and C₈₄:51591. The IR spectra of Sc₂S@C₈₄ are provided to aid future structural identification.     

有机硅改性纳米银抗菌导尿管的制备

纳米银具备广谱抗菌性、无耐药性、安全和对人体无害的性质。本研究选择了硼氢化钠还原法合成了尺寸为10nm~20nm纳米银,并用r-氨丙基三甲氧基硅烷对纳米银粒子表面进行了有机硅改性。再将经有机硅改性的纳米银粒子涂覆在导尿管内外表面,制备了一种新型纳米银导尿管。通过抗菌实验验证,该方法制备的纳米银导尿管具有显著的抗菌效果。且导尿管抗菌性的时效性研究表明,改性实现了纳米银在导尿管表面的缓慢释放,从而使得导尿管有更为持久的抗菌性。     

N2/Ar等离子体改性对CuO/TiO2可见光光催化活性的影响

研究了N2/Ar介质阻挡放电处理对负载CuO的TiO2可见光光催化活性的影响.采用X射线衍射、紫外-可见分光吸收光谱、透射电镜、X射线光电子能谱和电子自旋共振进行了表征,详细考察了等离子改性参数包括气氛组成、处理时间和处理功率对改性效果的影响,并通过降解甲基橙溶液考察了可见光光催化活性.结果表明,最佳等离子处理条件为N2与Ar比例为8:2,处理时间为20 min,放电电流为1.0 A.最后,使用改性后的光催化剂对模拟含汞废水进行了处理.     

Studies on crystal transition of polyamide 11 nanocomposites by variable-temperature X-ray diffraction

Polyamide I1 （PAll） and its nanocomposites with different organoclay loadings were prepared by melt-compounding and subsequent pelletizing. The crystal phase transitions of PAl 1 and its clay nanocomposites were investigated by variable-temperature X-ray diffraction. It was found that the Brill transition of the nanocomposite was 20 K higher than that of the neat PAl 1 for both heating and cooling processes. The PAl 1 d-spacings of the nanocomposites were observed to be smaller than those of the neat PAl 1 for melt crystallization. The constraints imposed by the addition of layered clay, restricting the thermal expansion of the polymer chains, are probably responsible for such a reduction of the d-spacing.     

Mass Transfer Analysis of Growth and Substance Metabolism of NSCs Cultured in Collagen-Based Scaffold In Vitro

The aim of this study is to analyze the growth and substance metabolism of neural stem cells (NSCs) cultured in biological collagen-based scaffolds. Mass transfer and metabolism model of glucose, lactic acid, and dissolved oxygen (DO) were established and solved on MATLAB platform to obtain the concentration distributions of DO, glucose, and lactic acid in culture system, respectively. Calculation results showed that the DO influenced their normal growth and metabolism of NSCs mostly in the in vitro culture within collagen-based scaffolds. This study also confirmed that 2-mm thickness of collagen scaffold was capable of in vitro cultivation and growth of NSCs with an inoculating density of 1?×?10⁶ cells/mL.     

Lattice Distortion in Hollow Multi-Shelled Structures for Efficient Visible-Light CO2 Reduction with a SnS2/SnO2 Junction

Precise control of the micro-/nanostructures of nanomaterials, such as hollow multi-shelled structures (HoMSs), has shown its great advantages in various applications. Now, the crystal structure of building blocks of HoMSs are controlled by introducing the lattice distortion in HoMSs, for the first time. The lattice distortion located at the nanoscale interface of SnS₂/SnO₂ can provide additional active sites, which not only provide the catalytic activity under visible light but also improve the separation of photoexcited electron–hole pairs. Combined with the efficient light utilization, the natural advantage of HoMSs, a record catalytic activity was achieved in solid–gas system for CO₂ reduction, with an excellent stability and 100 % CO selectivity without using any sensitizers or noble metals.     

加速溶剂萃取-磁固相萃取-高效液相色谱-串联质谱法测定水产品中10种氟喹诺酮类药物残留

养殖过程中的不合理使用和滥用使得水产品中氟喹诺酮抗生素残留累积量呈递增趋势,对人类的健康造成潜在的风险。建立高效、灵敏和可靠的水产品中氟喹诺酮类药物的同时分析方法十分重要。该研究建立了加速溶剂萃取-磁固相萃取-高效液相色谱-串联质谱法(ASE-MSPE-HPLC-MS/MS)测定水产品中沙拉沙星、氧氟沙星、恩诺沙星、丹氟沙星、洛美沙星、培氟沙星、环丙沙星、依诺沙星、诺氟沙星和双氟沙星残留的检测方法。采用室温自组装法,即在室温(25 ℃)下,将氧化石墨烯和零价纳米铁储备液快速涡旋混合,磁性分离收集沉淀物,得到GO@nZVI磁性复合材料。以扫描电镜、傅里叶变换红外光谱和X-射线衍射对磁性复合材料进行表征,结果显示GO@nZVI成功制备。该材料应用于MSPE净化中,ASE萃取温度为70 ℃,萃取溶剂为甲醇,萃取压力为10.34 MPa,静态萃取时间为5 min,循环萃取3次。萃取液浓缩后经MSPE有效净化后,采用Agilent ZORBAX Eclipse Plus C18色谱柱(100 mm×3.0 mm, 1.8 μm)梯度洗脱分离,MS/MS电喷雾正离子(ESI⁺)扫描、多反应监测(MRM)模式进行定量分析。氟喹诺酮的线性范围为1~100 μg/kg,线性相关系数(r²)均大于0.9995;目标物的检出限(S/N=3)为0.02~0.29 μg/kg,定量限(S/N=10)为0.07~0.98 μg/kg。所建方法成功用于黄鱼、草鱼、黑鱼、明虾和沼虾中氟喹诺酮的测定,在1倍、2倍、10倍定量限加标水平下得到的加标回收率为81.6%~105.8%,相对标准偏差(RSD)为4.2%~13.6%。研究表明,将ASE与MSPE有机结合,利用外部磁场实现萃取液的净化,无需离心和过滤操作,溶剂用量少,并且该方法所使用磁性萃取材料制备方法简单,具有自动化程度高、简便快速、方法灵敏度高、准确度高、重复性好等特点,可满足对水产品中FQs残留限量检测要求,具有实际应用前景。     

Crystal Structure of Scheelite-type LiTb(WO_4)_2 and Multi-color Emitting Properties Doped by Eu~(3+)

Single crystal of lithium terbium tungstate LiTb(WO4)2 has been grown by the flux method. The crystal structure was refined from single-crystal X-ray data. It crystallizes in tetragonal system, space group I41/a with a = 5.1749(9), c = 11.1953(19) ?, V = 299.81(12) ?~3, Z = 2, Mr = 661.56, Dc = 7.328 g/cm^3, F(000) = 560, μ(MoKα) = 49.94 mm^-1, R(F^2 > 2σ(F^2)) = 0.026 and wR(F^2) = 0.070. It features a typical scheelite-type structure composed of two-direction packing of isolated WO4 tetrahedra. Li and Tb atoms in the structure occupy the same crystallographic site. Moreover, a series of solid solution phosphors LiTb(1-x)Eux(WO4)2(x = 0.004~0.1) were synthesized by high temperature solid-state reactions. The phosphors could be effectively excited by a wavelength range from 379 to 487 nm, which matches well with the UV and near-UV LED chip. The emission color of the phosphor can be tuned from green, through yellow to red by simply adjusting the relative Eu³⁺ and Tb³⁺ concentration due to the Tb³⁺ to Eu³⁺ energy transfer.     

UV-light irradiation preparation of soybean residue-based hydrogel composite from inorganic/organic hybrids for degradable slow-release N-fertilizer

Research on Chemical Intermediates - Biomass waste, which was the by-product generated along with the production of food, was transformed into high-value constituent in slow-release fertilizers....     

Excitation‐Dependent Long‐Life Luminescent Polymeric Systems under Ambient Conditions

Organic room temperature luminescent materials present a unique phosphorescence emission with a long lifetime. However, many of these materials only emit single blue or green color in spite of external stimulation, and their color tunability is limited. Herein, we report a rational design to extend the emission color range from blue to red by controlling the doping of simple pyrene derivatives into a robust polymer matrix. The integration of these pyrene molecules into the polymer films enhances the intersystem crossing pathway, decreases the first triplet level of the system, and ensures the films show a sensitive response to excitation energy, finally yielding excitation‐dependent long‐life luminescent polymeric systems under ambient conditions. These materials were used to construct anti‐counterfeiting patterns with multicolor interconversion, presenting a promising application potential in the field of information security.