Chemical Structure Elucidation in the Development of Inorganic Drugs: Evidence from Ru-, Au-, As-, and Sb-based Medicines [0.03%]
基于Ru、Au、As和Sb类药物的无机药化学结构阐明实例
Alissa Lance-Byrne,Brent Lindquist-Kleissler,Timothy C Johnstone
Alissa Lance-Byrne
Structure elucidation plays a critical role across the landscape of medicinal chemistry, including medicinal inorganic chemistry. Herein, we discuss the importance of structure elucidation in drug development and then provide three vignette...
The Impact of Ligand Oxidation State and Fold Angle on the Charge Transfer Processes of MoIVO-Dithione Complexes [0.03%]
配体氧化态和折叠角对钼钒复合物电荷转移过程的影响研究
Sara A Dille,Kyle J Colston,Benjamin Mogesa et al.
Sara A Dille et al.
We report a series of mononuclear monooxo Mo(IV) complexes possessing either one or two fully oxidized dithiolene ligands; [MoOCl(R2Dt0)2][X], (1 and 2), and MoO(p-SC6H4Y)2(R2Dt0), (3 and 4), (R=Me, i Pr; X= PF6, SbF6, BF4; Y= H, Cl, F, CF3...
Ping Wang,Yu Zhang,Toby Woods et al.
Ping Wang et al.
A cluster-ligand is disclosed in the form of [Ru3(CN)3(CO)9]3- ([1]3-). Produced by simple reaction of [Ru3(CO)12] with cyanide, [1]3- serves as a precursor to a series of μ-CN cages. When treated with [Ru3(CO)12], it readily forms the pri...
Probing Magnetic Excitations in CoII Single-Molecule Magnets by Inelastic Neutron Scattering [0.03%]
用非弹性中子散射研究单分子磁体中的钴(ii)磁激发
Shelby E Stavretis,Yongqiang Cheng,Luke L Daemen et al.
Shelby E Stavretis et al.
Co(acac)2(H2O)2 (1, acac = acetylacetonate), a transition metal complex ( S = 3 / 2 ), displays field-induced slow magnetic relaxation as a single-molecule magnet. For 1 and its isotopologues Co(acac)2(D2O)2 (1-d 4 ) and Co(acac-d 7)2(...
An In-Situ Neutron Diffraction and DFT Study of Hydrogen Adsorption in a Sodalite-Type Metal-Organic Framework, Cu-BTTri [0.03%]
一种透射中子衍射和DFT研究氢在铜基MOF材料中的吸附行为
Mehrdad Asgari,Rocio Semino,Pascal Schouwink et al.
Mehrdad Asgari et al.
Herein we present a detailed study of the hydrogen adsorption properties of Cu-BTTri, a robust crystalline metal-organic framework containing open metal-coordination sites. Diffraction techniques, carried out on the activated framework, rev...
Zi-Ling Xue,Anibal J Ramirez-Cuesta,Craig M Brown et al.
Zi-Ling Xue et al.
Neutron diffraction and spectroscopy offer unique insight into structures and properties of solids and molecular materials. All neutron instruments located at the various neutron sources are distinct, even if their designs are based on simi...
Ligand and Linkage Isomers of Bis(ethylthiocarbamato) Copper Complexes with Cyclic C6H8 Backbone Substituents: Synthesis, Characterization, and Antiproliferation Activity [0.03%]
含环C6H8骨架取代基的双（乙基硫代甲酰胺）合铜配合物的配体和配位异构体：合成、表征及抗增殖活性研究
Kritika Bajaj,Sarah A Andres,Dillon T Hofsommer et al.
Kritika Bajaj et al.
A series of isomeric bis(alkylthiocarbamate) copper complexes have been synthesized, characterized, and evaluated for antiproliferation activity. The complexes were derived from ligand isomers with 3-methylpentyl (H2L2) and cyclohexyl (H2L3...
Investigation of Two Zr-p-NO2Bn-DOTA Isomers via NMR and Quantum Chemical Studies [0.03%]
通过核磁共振和量子化学研究两种Zr-p-NO2Bn-DOTA异构体的探究
Yong Sok Lee,Robert D O&#x;Connor,Olga Vasalatiy
Yong Sok Lee
A combination of NMR studies and quantum chemical calculations were employed to investigate the structure and energetics of Zr4+ chelates of pNO2Bn-DOTA. We have demonstrated that two discrete regioisomeric chelates are generated during the...
Clathrochelate Complexes Containing Axial Cymantrene and Tromancenium Moieties [0.03%]
含轴向Cymantrene和Tromancenium部分的笼螯合物
Reinhard Thaler,Holger Kopacka,Klaus Wurst et al.
Reinhard Thaler et al.
New clathrochelate complexes of manganese, iron and cobalt containing peripheral organometallic manganese moieties cymantrene or tromancenium were synthesized via self-assembly from di/tri-topic dioximes, metal templates and cymantrene/trom...
Construction of the Bioconjugate Py-Macrodipa-PSMA and Its In Vivo Investigations with Large 132/135La3+ and Small 47Sc3+ Radiometal Ions [0.03%]
含大132/135La3+和小47Sc3+放射性金属离子的Py-Macrodipa-PSMA双功能缀合物的构建及其体内研究
Aohan Hu,Kirsten E Martin,Dariusz Śmiłowicz et al.
Aohan Hu et al.
To harness radiometals in clinical settings, a chelator forming a stable complex with the metal of interest and targets the desired pathological site is needed. Toward this goal, we previously reported a unique set of chelators that can sta...