Characterization of Self-Assembling Encapsulation Complexes in the Gas Phase and Solution

1999 ◽  
Vol 121 (10) ◽  
pp. 2133-2138 ◽  
Author(s):  
Christoph A. Schalley ◽  
Tomás Martín ◽  
Ulrike Obst ◽  
Julius Rebek
Keyword(s):  
2021 ◽  
pp. 1-13
Author(s):  
Li Tan ◽  
Ning Wang ◽  
Yingjian Dong ◽  
Siyuan Li ◽  
Xuehan Wang ◽  
...  

2021 ◽  
Vol 3 (2) ◽  
Author(s):  
Sriram Srinivasa Raghvan ◽  
Suresh Madhu ◽  
Velmurugan Devadasan ◽  
Gunasekaran Krishnasamy

AbstractIn this study, we present the synthesis, spectroscopic and structural characterization of self-assembling gem-dimethyl imine based molecular cage (IMC). Self-assembling macrocycles and cages have well-defined cavities and have extensive functionalities ranging from energy storage, liquid crystals, and catalysts to water splitting photo absorber. IMC has large voids i.e., 25% of the total crystal volume thus could accommodate wide substrates. The synthesized imine-based molecular cages are stabilized by coaxial π bonded networks and long-range periodic van der Waal and non-bonded contacts as observed from the crystal structure. IMC also has typical properties of soft condensed matter materials, hence theoretical prediction of stress and strain tensor along with thermophysical properties were computed on crystal system and were found to be stable. Molecular dynamics revealed IMC is stabilized by, strong interactions between the interstitial phenyl rings. Density functional theory (DFT) based physicochemical properties were evaluated and has band gap of around 2.38ev (520 nm) similar to various photocatalytic band gap materials.


2019 ◽  
Vol 150 (14) ◽  
pp. 144304 ◽  
Author(s):  
Anh T. Le ◽  
Sanjay G. Nakhate ◽  
Duc-Trung Nguyen ◽  
Timothy C. Steimle ◽  
Michael C. Heaven
Keyword(s):  

2010 ◽  
Vol 161 (1-2) ◽  
pp. 301-307 ◽  
Author(s):  
Liang Shao ◽  
Jianhui Qiu ◽  
Mingzhu Liu ◽  
Huixia Feng ◽  
Guohong Zhang ◽  
...  

ChemInform ◽  
2001 ◽  
Vol 32 (12) ◽  
pp. no-no
Author(s):  
Robert Flammang ◽  
Minh Tho Nguyen ◽  
Guy Bouchoux ◽  
Pascal Gerbaux

2021 ◽  
Vol 14 (6) ◽  
pp. 498
Author(s):  
Evolène Deslignière ◽  
Anthony Ehkirch ◽  
Bastiaan L. Duivelshof ◽  
Hanna Toftevall ◽  
Jonathan Sjögren ◽  
...  

Antibody-drug conjugates (ADCs) are biotherapeutics consisting of a tumor-targeting monoclonal antibody (mAb) linked covalently to a cytotoxic drug. Early generation ADCs were predominantly obtained through non-selective conjugation methods based on lysine and cysteine residues, resulting in heterogeneous populations with varying drug-to-antibody ratios (DAR). Site-specific conjugation is one of the current challenges in ADC development, allowing for controlled conjugation and production of homogeneous ADCs. We report here the characterization of a site-specific DAR2 ADC generated with the GlyCLICK three-step process, which involves glycan-based enzymatic remodeling and click chemistry, using state-of-the-art native mass spectrometry (nMS) methods. The conjugation process was monitored with size exclusion chromatography coupled to nMS (SEC-nMS), which offered a straightforward identification and quantification of all reaction products, providing a direct snapshot of the ADC homogeneity. Benefits of SEC-nMS were further demonstrated for forced degradation studies, for which fragments generated upon thermal stress were clearly identified, with no deconjugation of the drug linker observed for the T-GlyGLICK-DM1 ADC. Lastly, innovative ion mobility-based collision-induced unfolding (CIU) approaches were used to assess the gas-phase behavior of compounds along the conjugation process, highlighting an increased resistance of the mAb against gas-phase unfolding upon drug conjugation. Altogether, these state-of-the-art nMS methods represent innovative approaches to investigate drug loading and distribution of last generation ADCs, their evolution during the bioconjugation process and their impact on gas-phase stabilities. We envision nMS and CIU methods to improve the conformational characterization of next generation-empowered mAb-derived products such as engineered nanobodies, bispecific ADCs or immunocytokines.


Author(s):  
Jonathan Laurent ◽  
John Bozek ◽  
Marc BRIANT ◽  
Pierre Carcabal ◽  
Denis Cubaynes ◽  
...  

We studied the Iron (II) Phthalocyanine molecule in the gas-phase. It is a complex transition organometallic compound, for which, the characterization of its electronic ground state is still debated more...


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