Evaluation of immunoconjugates of non-radioactive lutetium- and yttrium-rituximab – a vibrational spectroscopy study

The reaction of p-hydroxybenzaldehyde with an equimolar amount of isonicotinic hydrazide afforded two polymorphic and hydrate forms of p-hydroxybenzaldehyde isonicotinichydrazone (HBIH) by varying the experimental reaction conditions. The compounds are fully characterized by means of single crystal and powder diffraction methods, vibrational spectroscopy (FT-IR and Raman), thermal and elemental analysis. The compound crystallizes in three different forms in two different space groups, P21/c (form PA and PB) and Pbca (PC). The Hirshfeld surface analysis shows the differences in the relative contributions of intermolecular interactions to the total Hirshfeld surface area for the HBIH molecules. The calculated pairwise interaction energies (104-116 kJ/mol) can be related to the stability of the crystals. Energy framework analysis identifies the interaction hierarchy and their topology. The geometry and conformation of the three forms are essentially similar which differ only by packing arrangement.

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Solid State Analysis and Theoretical Explorations on Polymorphic and Hydrate Forms of p-Hydroxybenzaldehyde Isonicotinichydrazone: Effect of Additives on Polymorphic Crystallization

10.26434/chemrxiv.6489425 ◽

2018 ◽

Author(s):

Lincy Tom ◽

Victoria A. Smolenski ◽

Jerry P. Jasinski ◽

M.R. Prathapachandra Kurup

Keyword(s):

Hirshfeld Surface ◽

Framework Analysis ◽

Reaction Conditions ◽

Space Groups ◽

Effect Of Additives ◽

Ft Ir ◽

Packing Arrangement ◽

The Stability ◽

Ir And Raman ◽

Isonicotinic Hydrazide

The reaction of p-hydroxybenzaldehyde with an equimolar amount of isonicotinic hydrazide afforded two polymorphic and hydrate forms of p-hydroxybenzaldehyde isonicotinichydrazone (HBIH) by varying the experimental reaction conditions. The compounds are fully characterized by means of single crystal and powder diffraction methods, vibrational spectroscopy (FT-IR and Raman), thermal and elemental analysis. The compound crystallizes in three different forms in two different space groups, P21/c (form PA and PB) and Pbca (PC). The Hirshfeld surface analysis shows the differences in the relative contributions of intermolecular interactions to the total Hirshfeld surface area for the HBIH molecules. The calculated pairwise interaction energies (104-116 kJ/mol) can be related to the stability of the crystals. Energy framework analysis identifies the interaction hierarchy and their topology. The geometry and conformation of the three forms are essentially similar which differ only by packing arrangement.

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Molecular structure analysis of ascending aorta aneurysm upon atherosclerosis

European Heart Journal ◽

10.1093/ehjci/ehaa946.3798 ◽

2020 ◽

Vol 41 (Supplement_2) ◽

Author(s):

I Mamarelis ◽

V Mamareli ◽

M Kyriakidou ◽

O Tanis ◽

C Mamareli ◽

...

Keyword(s):

Molecular Structure ◽

Raman Spectra ◽

Molecular Level ◽

Ascending Aorta ◽

Ir And Raman Spectra ◽

Aggregate Formation ◽

Aorta Aneurysm ◽

Ft Ir ◽

Molecular Structure Analysis ◽

Ir And Raman

Abstract Background The atherosclerotic ascending aorta could represent a potential source of emboli or could be an indicator of atherosclerosis in general with high mortality. The mechanism of aneurysm formation and atherosclerosis of the ascending aorta at the molecular level has not yet been clarified. To approach the mechanism of ascending aortic lesions and mineralization at a molecular level, we used the non-destructive FT-IR, Raman spectroscopy, SEM and Hypermicroscope. Methods Six ascending aorta biopsies were obtained from patients who underwent aortic valve replacement (AVR) cardiac surgery. CytoViva (einst inc) hyperspectral microscope was used to obtain the images of ascending aorta. The samples were dissolved in hexane on a microscope glass plate. The FT-IR and Raman spectra were recorded with Nicolet 6700 thermoshintific and micro-Raman Reinshaw (785nm, 145 mwatt), respectively. The architecture of ascending aorta biopsies was obtained by using scanning electron microscope (SEM of Fei Co) without any coating. Results FT-IR and Raman spectra showed changes arising from the increasing of lipophilic environment and aggregate formation (Fig. 1). The band at 1744 cm–1 is attributed to aldehyde CHO mode due to oxidation of lipids. The shifts of the bands of the amide I and amide II bands to lower are associated with protein damage, in agreement with SEM data. The bands at about 1170–1000 cm–1 resulted from the C-O-C of advanced glycation products as result of connecting tissues fragmentations and polymerization. The spectroscopic data were analogous with the lesions observed with SEM and hypermicroscopic images. Conclusions The present innovate molecular structure analysis showed that upon ascending aorta aneurysm development an excess of lipophilic aggregate formation and protein lesions, changing the elasticity of the aorta's wall. The released Ca2+ interacted mostly with carbonate-terminal of cellular protein chains accelerated the ascending aorta calcifications. Figure 1. FT-IR and Raman spectra Funding Acknowledgement Type of funding source: None

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L-Alanyl-glycylglycine: FT-IR and Raman spectroscopic evidence for tripeptide packing in a collagenlike arrangement

Biopolymers ◽

10.1002/bip.360230404 ◽

1984 ◽

Vol 23 (4) ◽

pp. 623-627 ◽

Cited By ~ 6

Author(s):

V. Renugopalakrishnan ◽

P. H. B. Kloumann ◽

Rajendra S. Bhatnagar

Keyword(s):

Spectroscopic Evidence ◽

Raman Spectroscopic ◽

Ft Ir ◽

Ir And Raman

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High pressure FT-IR spectroscopic study on the secondary structure changes in insulin amyloid fibril and aggregate

High Pressure Research ◽

10.1080/08957950903405464 ◽

2009 ◽

Vol 29 (4) ◽

pp. 676-679 ◽

Cited By ~ 2

Author(s):

Y. Taniguchi ◽

N. Takeda ◽

K. Ado ◽

R. Maeda

Keyword(s):

High Pressure ◽

Secondary Structure ◽

Spectroscopic Study ◽

Amyloid Fibril ◽

Structure Changes ◽

Ft Ir ◽

Ir Spectroscopic

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Novel solid forms of the analgesic drug ethenzamide

Acta Crystallographica Section A Foundations and Advances ◽

10.1107/s2053273314090044 ◽

2014 ◽

Vol 70 (a1) ◽

pp. C995-C995

Author(s):

Duane Choquesillo-Lazarte ◽

Cristóbal Verdugo-Escamilla ◽

Juan Manuel García-Ruiz

Keyword(s):

Polycrystalline Material ◽

X Ray Diffraction ◽

Analgesic Drug ◽

X Ray ◽

Solution Methods ◽

Additional Stability ◽

Ft Ir ◽

Model Drug ◽

Solid Form ◽

Ir And Raman

The interest in multicomponent solid forms has increased in the last years within the pharmaceutical industry and also the solid-state community due to the possibility of obtaining materials with new properties [1]. Crystallization strategies, supported by solvent- and solid-based techniques, have also received attention in the search and development of methodologies for the screening of multicomponent crystals. In this work, ethenzamide, an anti-inflammatory and analgesic drug, was selected as a model drug to develop cocrystals on the basis of the synthon types using a series of phenolic coformers. Ethenzamide cocrystals and cocrystal solvates have been reported recently [2,3]. Liquid Assisted Grinding (LAG) and solution methods were used as synthetic tools. Attempts to produce cocrystals by LAG and Reaction Crystallization led to the formation of polycrystalline material. The solids obtained were then characterized by powder X-ray diffraction (PXRD), FT-IR and Raman spectroscopy. Recrystallization by slow solvent evaporation was carried out when the above-referred techniques strongly suggest the formation of a new solid form. The structure of five new multicomponent solids has been determined by single crystal X-ray diffraction. Additional stability studies have been performed at controlled relative humidity conditions and followed by PXRD.

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