Enhanced antifungal activities of four Zn(II) complexes based on uniconazole

Four Zn(II) complexes, [Zn L ₂(SO₄)]_n ( 1 ), [Zn L ₄(H₂O)₂]?2(NO₃)?4EtOH ( 2 ), [Zn L ₂Cl₂]? L ( 3 ), and [Zn L ₂Br₂]? L ( 4 ) ( L  = uniconazole), were synthesized using a hydrothermal method and characterized by elemental analysis, FT‐IR spectroscopy, and single‐crystal XRD. Complex 1 formed a one‐dimensional polymer chain. However, complexes 2 ‐ 4 were obtained as zero‐dimensional mononuclear coordination compounds. The antifungal activities of these complexes were then evaluated against four selected fungi using the mycelial growth rate method. The resulting data indicate that all complexes show better antifungal activities than their ligands and mixtures. In addition, the interactions between the metal salts of complexes 1 ‐ 4 and uniconazole seem to be synergistic. Furthermore, the polymer chain structure of complex 1 significantly enhanced the bioactivity, especially against Botryosphaeria ribis ( I ). Density functional theory (DFT) calculations were carried out to help explain the enhanced bioactivity after the formation of Zn(II) complexes. The resulting data show that the HOMO–LUMO energy gaps of complexes 1 ‐ 4 (0.0578, 0.0946, 0.1053, and 0.1245 eV) are smaller than that of the free ligand (0.1247 eV) and correlate with the antifungal activity of the zinc complexes.     

The enhanced biological activities of three Zn (II) complexes based on different 1,2,4‐triazole fungicides

In order to screen effective fungicides, three Zn (II) complexes, [Zn L ¹ ₄ (NO₃)₂]·2H₂O·2EtOH ( 1 ), [Zn L ² ₄ (NO₃)₂] ( 2 ), and [Zn L ³ ₄ (DMF)₂](NO₃)₂ ( 3 ), ( L ¹  = paclobutrazol, L ²  = diniconazole, and L ³  = hexaconazole), were synthesized and characterized by elemental analysis, FT‐IR spectroscopy, and single‐crystal XRD. The antifungal activities of these complexes were then evaluated against four selected fungi using the mycelial growth rate method. The resulting data indicate that all the complexes show the enhanced antifungal activities than the corresponding ligand and mixtures. And, the interactions between the metal salt and ligands in the three complexes seem to be synergistic. According to the study of the influence of the structures on the activity, complex 2 with C=C linkage and 2,4‐dichlorophenyl moieties enhances the bioactivity significantly, especially against Wheat gibberellic ( II ). Density functional theory (DFT) calculations were carried out to help explain the enhanced bioactivity of the Zn (II) complexes. Meanwhile, all complexes are excellent grow‐regulators, especially complex 3 . The resulting data show that the complexes based on triazole fungicides have the potential applications in agriculture.     

Highly oriented and ordered microstructures in block copolymer films

Block copolymer (BCP) films with long-range lateral ordering and orientation are crucial for many applications. Here, we report a simple, versatile strategy based on a solution casting procedure, to produce millimeter thick film of BCPs with highly oriented nanostructures. Transmission electron microscope (TEM), small angle X-ray scattering (SAXS), and Hansen solubility parameters were used to study the morphology and interactions of the system. A variety of BCP-solvent pairs were investigated. Factors including set-up geometry, BCP characteristics, solvent evaporation, surface tension, and interactions, such as solvent-BCP, solvent-substrate, and BCP-substrate were examined. A mechanism is proposed to describe the observed long-range lateral ordering and orientation in films up to 1 mm in thickness. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56, 1369–1375     

Crystal phase control in two-dimensional materials

It is the nature of crystals to exist in different polymorphs. The recent emergence of two-dimensional (2D) materials has evoked the discovery of a number of new crystal phases that are different from their bulk structures at ambient conditions, and revealed novel structure-dependent properties, which deserve in-depth understanding and further exploration. In this contribution, we review the recent development of crystal phase control in 2D materials, including group V and VI. transition metal dichalcogenides (TMDs), group IVA metal chalcogenides and noble metals. For each group of materials, we begin with introducing the various existing crystal phases and their structure-related properties, followed by a detailed discussion on factors that influence these crystal structures and thus the possible strategies for phase control. Finally, after summarizing the whole paper, we present the challenges and opportunities in this research direction.     

阵列式光纤光谱仪的小麦霉变在线检测

小麦是我国战略性储藏粮食品种,但小麦易受霉菌感染而发生霉变,影响其食用安全。加强小麦有害霉菌侵染程度的早期检测是控制其危害的需要措施。然而,现有的平板计数和荧光染色等检测方法,普遍存在前处理繁杂、时效性差等不足。故此,拟运用阵列式光纤光谱仪结合化学计量学方法,建立霉变小麦的实时在线检测方法,并为进一步开发粮食品质与安全在线检测装备提供参考。小麦样品经辐照灭菌后分别接种五种谷物中常见有害霉菌：串珠镰刀菌83227、层出镰刀菌195647、雪腐镰刀菌3.503、寄生曲霉3.3950和赭曲霉3.3486,并置于28 ℃和85%相对湿度环境中储藏7 d以加速霉变。在样品储藏的第0,1,3,5和7 d,运用阵列式光纤光谱仪和漫反射探头在线采集样品的漫反射特征光谱,并依据国标平板计数法测定样品菌落总数水平。光谱采集步骤为：在线检测平台上,设置样品运动速度0.15 m·s-1和光谱仪积分时间20 ms,采集波段为600~1 600 nm,重复测量3次。然后,首先对小麦原始光谱进行平滑、多元散射校正和导数变换等预处理以消除光谱噪音;随后,运用主成分分析(PCA)对受不同霉变程度(储藏阶段)的小麦样品进行区分;最后,利用线性判别分析(LDA)和偏最小二乘回归分析(PLSR)建立小麦有害霉菌侵染程度的定性定量分析模型。小麦在储藏期内经历未霉变、开始霉变和严重霉变三个阶段。原始和二阶微分光谱显示霉菌侵染引起小麦光谱特征发生显著改变,PCA结果表明不同储藏阶段(霉变程度)小麦样品存在一定分离趋势。利用前十个主成分得分建立的LDA判别模型,对不同霉变程度小麦样品的识别率达90.0%以上。结果表明：小麦样品菌落总数的PLSR定量预测模型的预测决定系数(R2_p)为0.859 2,预测均方根误差(RMSEP)为0.401 Log CFU·g-1,相对分析偏差(RPD)达2.65。应用阵列式光纤光谱仪结合计量学方法在线评估小麦霉变具有一定可行性。下一步研究中,应扩大样品量,补充自然霉变及受更多代表性霉菌侵染的小麦样品,以不断增强模型的鲁棒性和方法的适用性。     

Graphyne-oxide supported Pd catalyst with ten times higher nitrobenzenes reduction activity than Pd/C

Research on Chemical Intermediates - Upon oxidation, a graphyne-like porous carbon-rich network (GYLPC), which is a two-dimensional carbon material consisting of sp- and sp2-hybridized carbon atoms...     

New designed DNA light switch Ruthenium complexes as DNA photocleavers and Topoisomerase I inhibitors

Two ruthenium complexes containing a new ligand phipz (phipz = 2‐(1,10‐phenanthroline)‐1H‐imidazo[4,5‐b]phenazine) were designed and synthesized. These complexes were found to inhibit the DNA supercoiled relaxation mediated by topoisomerase I (topo I), cleave DNA under irradiation and bind to calf thymus DNA through intercalative mode. Furthermore, complex 2 shows higher photocleavage activity, topo I inhibition activity and DNA affinity than complex 1 . Additionally, introduction of phenazine unit may be the reason that two complexes exhibit DNA ‘light switch’ behavior. The present work shows that two complexes might be potential as new DNA ‘light switches’, DNA photocleavers and topo I inhibitors.