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Sulfated-β-cyclodextrin templated aggregation of a metachromatic dye, Basic Orange 21: A photophysical investigation 硫酸盐-β-环糊精模板化的异色染料碱性橙21的聚集:光物理研究
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-08-03 DOI: 10.1080/10610278.2022.2046277
G. Singh, V. R. Singh, Shrishti P. Pandey, Prabhat K. Singh
ABSTRACT The recently discovered molecular rotor and supravital dye, Basic Orange-21 (BO21), has shown improved differential counting of leukocytes through metachromasia (change in colour), which is believed to be due to the aggregation of chromophores. Thus, investigation on the aggregation behaviour of BO21 holds special importance and may help us to delineate its spectroscopic behaviour. In this contribution, we have investigated the photophysical behaviour of BO21 in presence of a negatively charged supramolecular host, sulfated-β-cyclodextrin (SC), using ground-state absorption, steady-state and time-resolved emission spectroscopy including ultrafast fluorescence spectroscopy, and molecular docking calculations. The spectral characteristics of BO21 display extreme modulations in presence of SCD, with features similar to that observed for BO21 during its metachromatic behaviour. These spectroscopic features have been rationalised in terms of aggregation of BO21 molecules in the vicinity of SCD, which are also extremely sensitive to external stimuli, such as, ionic strength and temperature of the medium. Graphical abstract
最近发现的分子转子和超生命染料,碱性橙-21 (BO21),显示出通过异色(颜色改变)改善白细胞的差异计数,这被认为是由于发色团的聚集。因此,对BO21的聚集行为的研究具有特殊的重要性,可以帮助我们描述它的光谱行为。在这篇论文中,我们利用基态吸收、稳态和时间分辨发射光谱(包括超快荧光光谱)和分子对接计算,研究了BO21在带负电荷的超分子宿主硫酸盐-β-环糊精(SC)存在下的光物理行为。BO21的光谱特征在SCD的存在下显示出极端的调制,其特征与BO21在其偏色差行为期间观察到的特征相似。根据SCD附近BO21分子的聚集,这些光谱特征已经得到了合理的解释,这些BO21分子对外界刺激也非常敏感,比如离子强度和介质温度。图形抽象
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引用次数: 3
Tiara[6]arenes
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-08-03 DOI: 10.1080/10610278.2022.2039653
Yang Chao, A. C. Sue
ABSTRACT Herein we report the successful synthesis and isolation of tiara[6]arene, a constitutional isomer of calix[6]arene consisting of six phenol units linked by para-substituted methylene bridges, from an isomeric mixture of asymmetrically substituted pillar[6]arene intermediates. Similar to its pentameric analogue, tiara[6]arene displays high conformational freedom in solution and rich polymorphism in the solid state. The establishment of the tiara[n]arene family (n = 5 and 6) further expands the scope of macrocyclic chemistry. Graphical Abstract
本文报道了从不对称取代柱[6]芳烃中间体的异构体混合物中成功合成并分离出冠[6]芳烃,冠[6]芳烃是杯[6]芳烃的组成异构体,由六个由对取代亚甲基桥连接的酚单元组成。与其五聚体类似物一样,tiara[6]芳烃在溶液中具有很高的构象自由度,在固态中具有丰富的多态性。冠[n]芳烃族(n = 5和6)的建立进一步扩大了大环化学的范围。图形抽象
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引用次数: 4
Cyanide detection using a highly selective fluorescent and colorimetrical double channel probe incorporating hybrid naphthopyran–benzothiazole in an aqueous solution 采用高选择性荧光和比色双通道探针在水溶液中结合杂化萘吡喃-苯并噻唑进行氰化物检测
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-08-03 DOI: 10.1080/10610278.2022.2035386
Qiao Li, Jing Chang, Haixiong Shi, Teng Niu, Hongru Dong, H. Mu
ABSTRACT A highly selective red-emitting fluorescent and colorimetric double-channel probe incorporating a conjugated benzopyran–benzothiazole system is proposed for the detection of cyanide (CN−) in water samples. Under the presence of CN−, the probe displays red fluorescence disappearance, having an immediate (<30 s) visible colour variation from red to colourless. Due to a blocking process where an intramolecular charge transfer occurs, the benzothiazole C = N bond of the probe is attacked by the CN− nucleophile; 1H NMR titration and DFT calculations for this occurrence varied. Results from this investigation enable feasible and simple test strips to be produced for detecting CN− in water samples. Graphical Abstract
摘要:提出了一种结合共轭苯并吡喃-苯并噻唑体系的高选择性红色荧光比色双通道探针,用于水样中氰化物(CN−)的检测。在CN−存在下,探针显示红色荧光消失,具有立即(<30 s)从红色到无色的可见颜色变化。由于发生分子内电荷转移的阻断过程,探针的苯并噻唑C = N键受到CN -亲核试剂的攻击;1H NMR滴定法和DFT计算对这一事件有所不同。本研究的结果使可行和简单的试纸用于检测水样中的CN -。图形抽象
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引用次数: 1
Supramolecular methods: the 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS) transport assay 超分子方法:8-羟基芘-1,3,6-三磺酸(HPTS)转运试验
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-07-03 DOI: 10.1080/10610278.2021.1999956
Alexander M Gilchrist, Patrick Wang, Israel Carreira-Barral, Daniel Alonso-Carrillo, Xin Wu, R. Quesada, Philip A. Gale
ABSTRACT The liposomal membrane transport assay, which uses 8-hydroxypyrene-1,3,6-trisulfonic acid to monitor the internal pH of the vesicles (the HPTS assay), is a widely used technique for analysing the activity of anionophore-facilitated transport across a phospholipid membrane. This paper describes the stepwise technique to conduct this transport assay, detailing both the perks and pitfalls of using this method to determine the activity of an anionophore and the transport mechanism. GRAPHICAL ABSTRACT
脂质体膜转运试验,使用8-羟基芘-1,3,6-三磺酸来监测囊泡的内部pH值(HPTS试验),是一种广泛使用的技术,用于分析阴离子载体促进转运磷脂膜的活性。本文描述了进行这种运输试验的逐步技术,详细说明了使用这种方法来确定阴离子载体的活性和运输机制的优点和缺陷。图形抽象
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引用次数: 10
Pillar[4]arene[1]quinone-based pseudo[3]rotaxanes by cooperative Host-Guest binding 柱[4]芳烃[1]醌类伪[3]轮烷的主-客体协同结合
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-07-03 DOI: 10.1080/10610278.2021.2025241
J. Kiruthika, Muniyappan Boominathan, S. Srividhya, V. Ajitha, M. Arunachalam
ABSTRACT Formation of pseudo[3]rotaxane assemblies by P4Q1 and H with bis-imidazolium and bis-pyridinium guests was established by NMR spectral analyses and high-resolution mass spectrometric analyses. Cooperativity in the formation of pseudo[3]rotaxane assemblies was thoroughly investigated from the binding constant values derived from 1H NMR titration experiments. The results indicated the preferential 1:1 host-guest binding of pillar[4]arene[1]quinone and 2:1 host-guest binding by functionalized pillar[4]arene[1]quinone via positive cooperativity. The presence of hydrogen bonding functional groups attached to the quinone motif of pillar[4]arene[1]quinone facilitated the inclusion formation, which resulted in the formation of pseudo[3]rotaxanes. Graphical abstract
通过核磁共振光谱分析和高分辨率质谱分析,确定了P4Q1和H与双咪唑和双吡啶形成伪[3]轮烷组装体。通过1H NMR滴定实验得到的结合常数值,深入研究了伪[3]轮烷组装过程中的协同性。结果表明,柱[4]芳烃[1]醌通过正协同作用优先进行1:1的主-客结合,功能化柱[4]芳烃[1]醌通过正协同作用优先进行2:1的主-客结合。柱[4]芳烃[1]醌醌基上的氢键官能团的存在促进了包合物的形成,从而形成伪[3]轮烷。图形抽象
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引用次数: 1
Turning on anion and betaine hosting by a small structural change of a biomimetic cavity: a case study 通过仿生腔的微小结构变化开启阴离子和甜菜碱寄主:一个案例研究
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-07-03 DOI: 10.1080/10610278.2021.2011890
G. De Leener, D. Over, O. Reinaud, I. Jabin
ABSTRACT This study explores the impact of a small structural modification on a biomimetic receptor. The hosting structure is a calix[6]arene capped by a tetraaza core. Two receptors are compared: one (1) presents three anisole units while the other (2) has three phenols. The latter was obtained with an excellent yield by selective demethylation thanks to a supramolecular strategy. Complexation studies showed that [2.H]+ displays strong affinities for Cl−, NO3 −, HSO4 −, whereas [1.H]+ is non-responsive. The anions are embedded at the level of the small rim, hydrogen-bonded to the protonated cap and the phenol groups. Ternary complexes are obtained in the presence of ammoniums. Finally, [2.H]+ shows high affinity for small zwitterions presenting a carboxylate and an ammonium groups separated by one or two carbon atom(s), not three, due to multi-point recognition. These results open routes to the design of new receptors for a variety of anionic and zwitterionic guests.
本研究探讨了一个小的结构修饰对仿生受体的影响。载体结构为杯[6]芳烃,由四氮核包裹。比较两种受体:一种(1)有三个苯甲醚单元,而另一种(2)有三个酚。后者通过选择性去甲基化获得了极好的产率,这要归功于超分子策略。络合研究表明,[2.H]+对Cl−、NO3−、HSO4−具有较强的亲和性,而[1.H]+对Cl−、NO3−、HSO4−没有反应。阴离子嵌入在小边缘的水平,氢键与质子化的帽和苯酚基团相连。三元配合物在氨的存在下得到。最后,由于多点识别,[2.H]+对小的两性离子表现出很高的亲和力,表现出由一个或两个碳原子(而不是三个)分开的羧酸盐和铵基。这些结果为设计各种阴离子和两性离子客体的新受体开辟了道路。
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引用次数: 0
Solid-state lattice effects on high-spin Mn(III) complexes with hexadentate Schiff-base ligand 六齿希夫碱配体高自旋Mn(III)配合物的固态晶格效应
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-07-03 DOI: 10.1080/10610278.2021.2025240
Yu-ting Wang, Peng-Yu Xu, Zongshou Yu, Zikun Wang, Hua-Yu Wu, Shi Wang, Yonghua Li
ABSTRACT This paper reports the syntheses, crystal structures, magnetics and spectroscopic properties of high-spin (HS) salts of formula [Mn(salk-N-1,5,8,12)]Y·S (Y = AsF6 for 1, Y = BF4, S = CH3OH for 2, Y = PF6, S = CH3OH for 3), where (salk-N-1,5,8,12)2− (2,2ʹ-((2E,14E)-3,7,10,14-tetraazahexadeca-2,14-diene-2,15-diyl)diphenolate) is a hexadentate Schiff-base ligand. Crystal structural analysis indicates that the extensive hydrogen bonds play a primary role in stabilisation of their HS states. As an aid to understanding this behaviour, the crystal structure of the known spin crossover compound [Mn(sal-N-1,5,8,12)]AsF6 (4) has been re-examined. To understand the impact of intermolecular forces to the different magnetic behaviours of salts 1 and 4, we evaluate of their supramolecular structures and confirm that intermolecular interactions can significantly affect the cooperativity. Furthermore, electrochemical studies on 1 and 4 shows that the choice of spin state is controlled by the solid-state lattice effects, i.e. cooperativity rather than molecular electronic effect. Graphical abstract
摘要本文报道了式[Mn(salk- n -1,5,8,12)]Y·S (Y = AsF6为1,Y = BF4, S = CH3OH为2,Y = PF6, S = CH3OH为3)的高自旋(HS)盐的合成、晶体结构、磁性和光谱性质,其中(salk- n -1,5,8,12)2−(2,2′′-(2E,14E)-3,7,10,14-四氮杂十六烷基-2,14-二烯-2,15-二基)二酚酸盐为六齿状希夫碱配体。晶体结构分析表明,广泛的氢键对其HS态的稳定起主要作用。为了帮助理解这种行为,我们重新研究了已知的自旋交叉化合物[Mn(sal- n -1,5,8,12)]AsF6(4)的晶体结构。为了了解分子间作用力对盐1和盐4不同磁性行为的影响,我们评估了它们的超分子结构,并证实分子间相互作用可以显著影响协同性。此外,对1和4的电化学研究表明,自旋态的选择是由固态晶格效应即协同性控制的,而不是由分子电子效应控制的。图形抽象
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引用次数: 1
Calixarene: a versatile scaffold for the development of highly sensitive biosensors 杯芳烃:用于开发高灵敏度生物传感器的多功能支架
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-07-03 DOI: 10.1080/10610278.2021.2011283
D. Quaglio, Francesca Polli, Cristina Del Plato, Gabriele Cianfoni, C. Tortora, F. Mazzei, B. Botta, A. Calcaterra, F. Ghirga
ABSTRACT Calix[n]arenes, as the ‘third-generation’ host molecules, are cyclic oligomer, featuring a unique three-dimensional structure with a hydrophobic cavity, allowing the interaction with many size-matched guest molecules, and a surface which can be functionalised at both the upper and lower rims with several functional groups to tailor the recognition properties towards a specific class of analytes for various applications. In the last two decades, due to their configuration, unique molecule recognition function and aggregation properties, calixarenes and their derivatives have attracted considerable attention as a new versatile scaffold for highly sensitive detection and site-oriented immobilisation in biosensor development. In this review, the development of sensors featuring calixarene-based transducers tuned for binding many analytes, ranging from simple (i.e., amino acids and neurotransmitters) to complex (i.e., enzymes and antibodies) organic molecules, was described. The rational design, the synthetic strategies fine-tuned to prepare these complex structures and their grafting in surface modification were included. GRAPHICAL ABSTRACT
杯[n]芳烃作为“第三代”宿主分子,是一种环状低聚物,具有独特的三维结构和疏水腔,允许与许多尺寸匹配的客体分子相互作用,并且表面可以在上边缘和下边缘与几个官能团进行功能化,以适应各种应用中对特定类别分析物的识别特性。在过去的二十年中,杯芳烃及其衍生物由于其独特的结构、独特的分子识别功能和聚集特性,作为一种新型的多功能支架,在生物传感器的开发中用于高灵敏度检测和定位固定化,受到了广泛的关注。在这篇综述中,介绍了以杯芳烃为基础的传感器的发展,这些传感器可以结合许多分析物,从简单的(即氨基酸和神经递质)到复杂的(即酶和抗体)有机分子。介绍了制备这些复杂结构的合理设计、精细的合成策略及其在表面改性中的接枝。图形抽象
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引用次数: 6
Artificial chiral nanochannels 人工手性纳米通道
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-06-03 DOI: 10.1080/10610278.2021.1991924
Q. He, Mingjie Tao, Wajahat Ali, Xuehong Min, Yanxi Zhao
ABSTRACT The biological channels with chiral features are capable of intelligently regulating substance transport through cell membrane, which plays a pivotal role in maintaining normal functions for living organisms. However, the high complexity and variability of biological nanochannels are the major constraints on practical studies. At present, artificial solid-state channels have been developed to simulate the functionality of biological channels. The functional groups are often introduced into nanochannels to achieve selective sensing and transport molecules. In particular, the fast-paced progress has been made in developing artificial chiral nanochannels. This review highlights the recent advancement of artificial chiral nanochannels as constructed using various strategies, including chiral macrocyclic hosts, amino acids, and label-free methods, which are expected to support the researchers working in fields such as supramolecular chemistry, chiral chemistry, and drug development. Graphical Abstract
具有手性特征的生物通道能够智能调节物质在细胞膜中的转运,在维持生物体的正常功能中起着至关重要的作用。然而,生物纳米通道的高度复杂性和可变性是实际研究的主要制约因素。目前,人造固态通道已经发展到模拟生物通道的功能。这些官能团通常被引入到纳米通道中,以实现分子的选择性传感和转运。特别是在人工手性纳米通道的开发方面取得了快速的进展。本文综述了利用手性大环宿主、氨基酸和无标记方法构建人工手性纳米通道的最新进展,以期为超分子化学、手性化学和药物开发等领域的研究人员提供支持。图形抽象
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引用次数: 0
Calixarene-Based lead receptors: an NMR, DFT and X-Ray synergetic approach 杯芳烃为基础的铅受体:核磁共振,DFT和x射线协同方法
IF 3.3 4区 化学 Q2 Chemistry Pub Date : 2021-06-03 DOI: 10.1080/10610278.2021.1959035
A. S. Ferreira, J. Ascenso, P. M. Marcos, R. Schurhammer, N. Hickey, S. Geremia
ABSTRACT The conformational changes of the homooxa adamantyl ketones 1 and 2, as well as of the calix[4]arene analogue derivative 3, all in the cone conformation, upon Pb2+ complexation were investigated by 1H, 13C, 207Pb NMR and proton spin-lattice relaxation times (T 1) experiments. The X-ray crystal structures of ketones 1 and 3 were determined. The inclusion of an acetonitrile molecule in the hydrophobic cavity of the ligands was observed in the solid state. In solution, inclusion was observed only in the case of Pb2+ ⊂ ketone 3 complex. DFT calculations were also performed to complement the NMR conformational analysis and to bring further insights to the cation complexation. The data confirmed the formation of 1:1 complexes between Pb2+ and the ligands, and that the cation is located inside the cavity defined by the phenoxy and carbonyl oxygen atoms. In general, the ligand conformations became closer to a regular cone upon complexation, with the binding models found for the three ketones through the NMR studies corroborated by the DFT calculations.
采用1H、13C、207Pb核磁共振和质子自旋-晶格弛豫时间(t1)实验研究了Pb2+络合作用下具有锥形构象的同形亚甲酮1和2以及杯[4]芳烃类似衍生物3的构象变化。测定了酮1和酮3的x射线晶体结构。在固体状态下,在配体的疏水腔中观察到乙腈分子的包涵。在溶液中,只观察到Pb2+∧酮3配合物的包合。DFT计算也进行了补充核磁共振构象分析,并带来进一步的见解阳离子络合。数据证实Pb2+与配体之间形成1:1的配合物,并且阳离子位于由苯氧和羰基氧原子定义的空腔内。总的来说,配体构象在络合后变得更接近于一个规则的锥体,通过核磁共振研究发现的三种酮的结合模型得到了DFT计算的证实。
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引用次数: 1
期刊
Supramolecular Chemistry
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