Solid-state vibrational circular dichroism for pharmaceutical purposes Article Swipe
Jakub Kaminský
,
Adam Sklenář
,
Lucie Růžičková
,
Lucie Bednářová
,
Markéta Pazderková
,
Argyro Chatziadi
,
Eliška Skořepová
,
Miroslav Šoóš
·
YOU?
·
· 2023
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2023-3bxp0
YOU?
·
· 2023
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2023-3bxp0
X-ray diffraction is commonly used in the pharmaceutical industry to determine the atomic and molecular structure of crystals. However, it is costly, sometimes time-consuming, and it requires a considerable degree of expertise. Vibrational circular dichroism (VCD) spectroscopy overcomes these drawbacks while also being highly sensitive to small changes in conformation and molecular packing in the solid phase. Here, we investigate the ability of VCD to distinguish between different crystal forms of the same molecule (polymorphs) and, thereby, identify those with the greatest pharmaceutical potential. First, we developed a universal experimental approach for obtaining reliable and reproducible solid-phase VCD spectra. Using three amino acids (serine, alanine, tyrosine) and one hydroxy acid (tartaric acid) as model pharmaceutical ingredients we investigated an effect of various experimental conditions on resulting VCD spectra. Solid samples were prepared using two techniques: (i) suspension of each model compound in oil (mulling agent); (ii) mixture of the model compound and crystalline powder (matrix) compressed into a pellet. Additionally, to achieve artifact-free results with a maximal signal-to-noise ratio, the following experimental conditions were optimized: time of spectral acquisition (0.5‒3h), mulling agent (Nujol, fluorolube), pellet size (0.7 and 20 mm in diameter) and pellet matrix (KBr, KCl, CsI). Then, the optimized approach was successfully applied to distinguish three polymorphs of the antiviral drug sofosbuvir. Our results suggest that solid-state VCD represents a relatively rapid, cost-effective, and easy-to-use structural probe for the identification of crystal structures, with potential use in pharmaceutics.
Related Topics
Concepts
Vibrational circular dichroism
Chemistry
Crystallography
Pharmaceutics
Tartaric acid
Molecule
Raman spectroscopy
Matrix (chemical analysis)
Solid-state
Circular dichroism
Materials science
Analytical Chemistry (journal)
Chromatography
Physical chemistry
Organic chemistry
Optics
Physics
Medicine
Pharmacology
Citric acid
Metadata
- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.26434/chemrxiv-2023-3bxp0
- https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63bbe805553889aae379616c/original/solid-state-vibrational-circular-dichroism-for-pharmaceutical-purposes.pdf
- OA Status
- gold
- Cited By
- 2
- References
- 31
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4316673513
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
-
https://openalex.org/W4316673513Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.26434/chemrxiv-2023-3bxp0Digital Object Identifier
- Title
-
Solid-state vibrational circular dichroism for pharmaceutical purposesWork title
- Type
-
preprintOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2023Year of publication
- Publication date
-
2023-01-17Full publication date if available
- Authors
-
Jakub Kaminský, Adam Sklenář, Lucie Růžičková, Lucie Bednářová, Markéta Pazderková, Argyro Chatziadi, Eliška Skořepová, Miroslav ŠoóšList of authors in order
- Landing page
-
https://doi.org/10.26434/chemrxiv-2023-3bxp0Publisher landing page
- PDF URL
-
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63bbe805553889aae379616c/original/solid-state-vibrational-circular-dichroism-for-pharmaceutical-purposes.pdfDirect link to full text PDF
- Open access
-
YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
-
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63bbe805553889aae379616c/original/solid-state-vibrational-circular-dichroism-for-pharmaceutical-purposes.pdfDirect OA link when available
- Concepts
-
Vibrational circular dichroism, Chemistry, Crystallography, Pharmaceutics, Tartaric acid, Molecule, Raman spectroscopy, Matrix (chemical analysis), Solid-state, Circular dichroism, Materials science, Analytical Chemistry (journal), Chromatography, Physical chemistry, Organic chemistry, Optics, Physics, Medicine, Pharmacology, Citric acidTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
2Total citation count in OpenAlex
- Citations by year (recent)
-
2024: 2Per-year citation counts (last 5 years)
- References (count)
-
31Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
Full payload
| id | https://openalex.org/W4316673513 |
|---|---|
| doi | https://doi.org/10.26434/chemrxiv-2023-3bxp0 |
| ids.doi | https://doi.org/10.26434/chemrxiv-2023-3bxp0 |
| ids.openalex | https://openalex.org/W4316673513 |
| fwci | 0.41299959 |
| type | preprint |
| title | Solid-state vibrational circular dichroism for pharmaceutical purposes |
| biblio.issue | |
| biblio.volume | |
| biblio.last_page | |
| biblio.first_page | |
| topics[0].id | https://openalex.org/T12748 |
| topics[0].field.id | https://openalex.org/fields/16 |
| topics[0].field.display_name | Chemistry |
| topics[0].score | 0.9994000196456909 |
| topics[0].domain.id | https://openalex.org/domains/3 |
| topics[0].domain.display_name | Physical Sciences |
| topics[0].subfield.id | https://openalex.org/subfields/1607 |
| topics[0].subfield.display_name | Spectroscopy |
| topics[0].display_name | Molecular spectroscopy and chirality |
| topics[1].id | https://openalex.org/T10432 |
| topics[1].field.id | https://openalex.org/fields/13 |
| topics[1].field.display_name | Biochemistry, Genetics and Molecular Biology |
| topics[1].score | 0.9192000031471252 |
| topics[1].domain.id | https://openalex.org/domains/1 |
| topics[1].domain.display_name | Life Sciences |
| topics[1].subfield.id | https://openalex.org/subfields/1312 |
| topics[1].subfield.display_name | Molecular Biology |
| topics[1].display_name | DNA and Nucleic Acid Chemistry |
| is_xpac | False |
| apc_list | |
| apc_paid | |
| concepts[0].id | https://openalex.org/C189010761 |
| concepts[0].level | 3 |
| concepts[0].score | 0.7534471750259399 |
| concepts[0].wikidata | https://www.wikidata.org/wiki/Q7924663 |
| concepts[0].display_name | Vibrational circular dichroism |
| concepts[1].id | https://openalex.org/C185592680 |
| concepts[1].level | 0 |
| concepts[1].score | 0.5059804320335388 |
| concepts[1].wikidata | https://www.wikidata.org/wiki/Q2329 |
| concepts[1].display_name | Chemistry |
| concepts[2].id | https://openalex.org/C8010536 |
| concepts[2].level | 1 |
| concepts[2].score | 0.47902315855026245 |
| concepts[2].wikidata | https://www.wikidata.org/wiki/Q160398 |
| concepts[2].display_name | Crystallography |
| concepts[3].id | https://openalex.org/C138651985 |
| concepts[3].level | 2 |
| concepts[3].score | 0.4729713499546051 |
| concepts[3].wikidata | https://www.wikidata.org/wiki/Q186249 |
| concepts[3].display_name | Pharmaceutics |
| concepts[4].id | https://openalex.org/C2780048820 |
| concepts[4].level | 3 |
| concepts[4].score | 0.46122223138809204 |
| concepts[4].wikidata | https://www.wikidata.org/wiki/Q194322 |
| concepts[4].display_name | Tartaric acid |
| concepts[5].id | https://openalex.org/C32909587 |
| concepts[5].level | 2 |
| concepts[5].score | 0.4599534571170807 |
| concepts[5].wikidata | https://www.wikidata.org/wiki/Q11369 |
| concepts[5].display_name | Molecule |
| concepts[6].id | https://openalex.org/C40003534 |
| concepts[6].level | 2 |
| concepts[6].score | 0.447349488735199 |
| concepts[6].wikidata | https://www.wikidata.org/wiki/Q862228 |
| concepts[6].display_name | Raman spectroscopy |
| concepts[7].id | https://openalex.org/C106487976 |
| concepts[7].level | 2 |
| concepts[7].score | 0.42193302512168884 |
| concepts[7].wikidata | https://www.wikidata.org/wiki/Q685816 |
| concepts[7].display_name | Matrix (chemical analysis) |
| concepts[8].id | https://openalex.org/C107814960 |
| concepts[8].level | 2 |
| concepts[8].score | 0.41663485765457153 |
| concepts[8].wikidata | https://www.wikidata.org/wiki/Q611957 |
| concepts[8].display_name | Solid-state |
| concepts[9].id | https://openalex.org/C133571119 |
| concepts[9].level | 2 |
| concepts[9].score | 0.4097138047218323 |
| concepts[9].wikidata | https://www.wikidata.org/wiki/Q899102 |
| concepts[9].display_name | Circular dichroism |
| concepts[10].id | https://openalex.org/C192562407 |
| concepts[10].level | 0 |
| concepts[10].score | 0.4027971923351288 |
| concepts[10].wikidata | https://www.wikidata.org/wiki/Q228736 |
| concepts[10].display_name | Materials science |
| concepts[11].id | https://openalex.org/C113196181 |
| concepts[11].level | 2 |
| concepts[11].score | 0.34066808223724365 |
| concepts[11].wikidata | https://www.wikidata.org/wiki/Q485223 |
| concepts[11].display_name | Analytical Chemistry (journal) |
| concepts[12].id | https://openalex.org/C43617362 |
| concepts[12].level | 1 |
| concepts[12].score | 0.2502155900001526 |
| concepts[12].wikidata | https://www.wikidata.org/wiki/Q170050 |
| concepts[12].display_name | Chromatography |
| concepts[13].id | https://openalex.org/C147789679 |
| concepts[13].level | 1 |
| concepts[13].score | 0.23214232921600342 |
| concepts[13].wikidata | https://www.wikidata.org/wiki/Q11372 |
| concepts[13].display_name | Physical chemistry |
| concepts[14].id | https://openalex.org/C178790620 |
| concepts[14].level | 1 |
| concepts[14].score | 0.20051687955856323 |
| concepts[14].wikidata | https://www.wikidata.org/wiki/Q11351 |
| concepts[14].display_name | Organic chemistry |
| concepts[15].id | https://openalex.org/C120665830 |
| concepts[15].level | 1 |
| concepts[15].score | 0.08592525124549866 |
| concepts[15].wikidata | https://www.wikidata.org/wiki/Q14620 |
| concepts[15].display_name | Optics |
| concepts[16].id | https://openalex.org/C121332964 |
| concepts[16].level | 0 |
| concepts[16].score | 0.0 |
| concepts[16].wikidata | https://www.wikidata.org/wiki/Q413 |
| concepts[16].display_name | Physics |
| concepts[17].id | https://openalex.org/C71924100 |
| concepts[17].level | 0 |
| concepts[17].score | 0.0 |
| concepts[17].wikidata | https://www.wikidata.org/wiki/Q11190 |
| concepts[17].display_name | Medicine |
| concepts[18].id | https://openalex.org/C98274493 |
| concepts[18].level | 1 |
| concepts[18].score | 0.0 |
| concepts[18].wikidata | https://www.wikidata.org/wiki/Q128406 |
| concepts[18].display_name | Pharmacology |
| concepts[19].id | https://openalex.org/C2779032678 |
| concepts[19].level | 2 |
| concepts[19].score | 0.0 |
| concepts[19].wikidata | https://www.wikidata.org/wiki/Q159683 |
| concepts[19].display_name | Citric acid |
| keywords[0].id | https://openalex.org/keywords/vibrational-circular-dichroism |
| keywords[0].score | 0.7534471750259399 |
| keywords[0].display_name | Vibrational circular dichroism |
| keywords[1].id | https://openalex.org/keywords/chemistry |
| keywords[1].score | 0.5059804320335388 |
| keywords[1].display_name | Chemistry |
| keywords[2].id | https://openalex.org/keywords/crystallography |
| keywords[2].score | 0.47902315855026245 |
| keywords[2].display_name | Crystallography |
| keywords[3].id | https://openalex.org/keywords/pharmaceutics |
| keywords[3].score | 0.4729713499546051 |
| keywords[3].display_name | Pharmaceutics |
| keywords[4].id | https://openalex.org/keywords/tartaric-acid |
| keywords[4].score | 0.46122223138809204 |
| keywords[4].display_name | Tartaric acid |
| keywords[5].id | https://openalex.org/keywords/molecule |
| keywords[5].score | 0.4599534571170807 |
| keywords[5].display_name | Molecule |
| keywords[6].id | https://openalex.org/keywords/raman-spectroscopy |
| keywords[6].score | 0.447349488735199 |
| keywords[6].display_name | Raman spectroscopy |
| keywords[7].id | https://openalex.org/keywords/matrix |
| keywords[7].score | 0.42193302512168884 |
| keywords[7].display_name | Matrix (chemical analysis) |
| keywords[8].id | https://openalex.org/keywords/solid-state |
| keywords[8].score | 0.41663485765457153 |
| keywords[8].display_name | Solid-state |
| keywords[9].id | https://openalex.org/keywords/circular-dichroism |
| keywords[9].score | 0.4097138047218323 |
| keywords[9].display_name | Circular dichroism |
| keywords[10].id | https://openalex.org/keywords/materials-science |
| keywords[10].score | 0.4027971923351288 |
| keywords[10].display_name | Materials science |
| keywords[11].id | https://openalex.org/keywords/analytical-chemistry |
| keywords[11].score | 0.34066808223724365 |
| keywords[11].display_name | Analytical Chemistry (journal) |
| keywords[12].id | https://openalex.org/keywords/chromatography |
| keywords[12].score | 0.2502155900001526 |
| keywords[12].display_name | Chromatography |
| keywords[13].id | https://openalex.org/keywords/physical-chemistry |
| keywords[13].score | 0.23214232921600342 |
| keywords[13].display_name | Physical chemistry |
| keywords[14].id | https://openalex.org/keywords/organic-chemistry |
| keywords[14].score | 0.20051687955856323 |
| keywords[14].display_name | Organic chemistry |
| keywords[15].id | https://openalex.org/keywords/optics |
| keywords[15].score | 0.08592525124549866 |
| keywords[15].display_name | Optics |
| language | en |
| locations[0].id | doi:10.26434/chemrxiv-2023-3bxp0 |
| locations[0].is_oa | True |
| locations[0].source | |
| locations[0].license | cc-by-nc-nd |
| locations[0].pdf_url | https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63bbe805553889aae379616c/original/solid-state-vibrational-circular-dichroism-for-pharmaceutical-purposes.pdf |
| locations[0].version | acceptedVersion |
| locations[0].raw_type | posted-content |
| locations[0].license_id | https://openalex.org/licenses/cc-by-nc-nd |
| locations[0].is_accepted | True |
| locations[0].is_published | False |
| locations[0].raw_source_name | |
| locations[0].landing_page_url | https://doi.org/10.26434/chemrxiv-2023-3bxp0 |
| indexed_in | crossref |
| authorships[0].author.id | https://openalex.org/A5077811298 |
| authorships[0].author.orcid | https://orcid.org/0000-0001-6347-3022 |
| authorships[0].author.display_name | Jakub Kaminský |
| authorships[0].countries | CZ |
| authorships[0].affiliations[0].institution_ids | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[0].affiliations[0].raw_affiliation_string | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[0].institutions[0].id | https://openalex.org/I202391551 |
| authorships[0].institutions[0].ror | https://ror.org/053avzc18 |
| authorships[0].institutions[0].type | government |
| authorships[0].institutions[0].lineage | https://openalex.org/I202391551 |
| authorships[0].institutions[0].country_code | CZ |
| authorships[0].institutions[0].display_name | Czech Academy of Sciences |
| authorships[0].institutions[1].id | https://openalex.org/I4210145889 |
| authorships[0].institutions[1].ror | https://ror.org/04nfjn472 |
| authorships[0].institutions[1].type | facility |
| authorships[0].institutions[1].lineage | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[0].institutions[1].country_code | CZ |
| authorships[0].institutions[1].display_name | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[0].author_position | first |
| authorships[0].raw_author_name | Jakub Kaminsky |
| authorships[0].is_corresponding | False |
| authorships[0].raw_affiliation_strings | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[1].author.id | https://openalex.org/A5089837743 |
| authorships[1].author.orcid | https://orcid.org/0000-0003-1304-4531 |
| authorships[1].author.display_name | Adam Sklenář |
| authorships[1].countries | CZ |
| authorships[1].affiliations[0].institution_ids | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[1].affiliations[0].raw_affiliation_string | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[1].institutions[0].id | https://openalex.org/I202391551 |
| authorships[1].institutions[0].ror | https://ror.org/053avzc18 |
| authorships[1].institutions[0].type | government |
| authorships[1].institutions[0].lineage | https://openalex.org/I202391551 |
| authorships[1].institutions[0].country_code | CZ |
| authorships[1].institutions[0].display_name | Czech Academy of Sciences |
| authorships[1].institutions[1].id | https://openalex.org/I4210145889 |
| authorships[1].institutions[1].ror | https://ror.org/04nfjn472 |
| authorships[1].institutions[1].type | facility |
| authorships[1].institutions[1].lineage | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[1].institutions[1].country_code | CZ |
| authorships[1].institutions[1].display_name | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[1].author_position | middle |
| authorships[1].raw_author_name | Adam Sklenář |
| authorships[1].is_corresponding | False |
| authorships[1].raw_affiliation_strings | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[2].author.id | https://openalex.org/A5090383498 |
| authorships[2].author.orcid | https://orcid.org/0000-0002-9818-1369 |
| authorships[2].author.display_name | Lucie Růžičková |
| authorships[2].countries | CZ, GB |
| authorships[2].affiliations[0].institution_ids | https://openalex.org/I4210145889 |
| authorships[2].affiliations[0].raw_affiliation_string | Institute of Organic Chemistry and Biochemistry of the CAS, Flemingovo nám.2, Prague, 166 10, Czech Republic |
| authorships[2].affiliations[1].institution_ids | https://openalex.org/I47508984 |
| authorships[2].affiliations[1].raw_affiliation_string | Imperial College London, Department of Life Sciences, South Kensington Campus, London SW7 2AZ, UK |
| authorships[2].institutions[0].id | https://openalex.org/I4210145889 |
| authorships[2].institutions[0].ror | https://ror.org/04nfjn472 |
| authorships[2].institutions[0].type | facility |
| authorships[2].institutions[0].lineage | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[2].institutions[0].country_code | CZ |
| authorships[2].institutions[0].display_name | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[2].institutions[1].id | https://openalex.org/I47508984 |
| authorships[2].institutions[1].ror | https://ror.org/041kmwe10 |
| authorships[2].institutions[1].type | education |
| authorships[2].institutions[1].lineage | https://openalex.org/I47508984 |
| authorships[2].institutions[1].country_code | GB |
| authorships[2].institutions[1].display_name | Imperial College London |
| authorships[2].author_position | middle |
| authorships[2].raw_author_name | Lucie Růžičková |
| authorships[2].is_corresponding | False |
| authorships[2].raw_affiliation_strings | Imperial College London, Department of Life Sciences, South Kensington Campus, London SW7 2AZ, UK, Institute of Organic Chemistry and Biochemistry of the CAS, Flemingovo nám.2, Prague, 166 10, Czech Republic |
| authorships[3].author.id | https://openalex.org/A5035822235 |
| authorships[3].author.orcid | https://orcid.org/0000-0003-3367-0193 |
| authorships[3].author.display_name | Lucie Bednářová |
| authorships[3].countries | CZ |
| authorships[3].affiliations[0].institution_ids | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[3].affiliations[0].raw_affiliation_string | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[3].institutions[0].id | https://openalex.org/I202391551 |
| authorships[3].institutions[0].ror | https://ror.org/053avzc18 |
| authorships[3].institutions[0].type | government |
| authorships[3].institutions[0].lineage | https://openalex.org/I202391551 |
| authorships[3].institutions[0].country_code | CZ |
| authorships[3].institutions[0].display_name | Czech Academy of Sciences |
| authorships[3].institutions[1].id | https://openalex.org/I4210145889 |
| authorships[3].institutions[1].ror | https://ror.org/04nfjn472 |
| authorships[3].institutions[1].type | facility |
| authorships[3].institutions[1].lineage | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[3].institutions[1].country_code | CZ |
| authorships[3].institutions[1].display_name | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[3].author_position | middle |
| authorships[3].raw_author_name | Lucie Bednárová |
| authorships[3].is_corresponding | False |
| authorships[3].raw_affiliation_strings | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[4].author.id | https://openalex.org/A5041731705 |
| authorships[4].author.orcid | https://orcid.org/0000-0003-1086-4497 |
| authorships[4].author.display_name | Markéta Pazderková |
| authorships[4].countries | CZ |
| authorships[4].affiliations[0].institution_ids | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[4].affiliations[0].raw_affiliation_string | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[4].institutions[0].id | https://openalex.org/I202391551 |
| authorships[4].institutions[0].ror | https://ror.org/053avzc18 |
| authorships[4].institutions[0].type | government |
| authorships[4].institutions[0].lineage | https://openalex.org/I202391551 |
| authorships[4].institutions[0].country_code | CZ |
| authorships[4].institutions[0].display_name | Czech Academy of Sciences |
| authorships[4].institutions[1].id | https://openalex.org/I4210145889 |
| authorships[4].institutions[1].ror | https://ror.org/04nfjn472 |
| authorships[4].institutions[1].type | facility |
| authorships[4].institutions[1].lineage | https://openalex.org/I202391551, https://openalex.org/I4210145889 |
| authorships[4].institutions[1].country_code | CZ |
| authorships[4].institutions[1].display_name | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[4].author_position | middle |
| authorships[4].raw_author_name | Markéta Pazderková |
| authorships[4].is_corresponding | False |
| authorships[4].raw_affiliation_strings | Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry |
| authorships[5].author.id | https://openalex.org/A5068804655 |
| authorships[5].author.orcid | https://orcid.org/0000-0002-4004-6818 |
| authorships[5].author.display_name | Argyro Chatziadi |
| authorships[5].countries | CZ |
| authorships[5].affiliations[0].institution_ids | https://openalex.org/I9073902 |
| authorships[5].affiliations[0].raw_affiliation_string | University of Chemistry and Technology |
| authorships[5].institutions[0].id | https://openalex.org/I9073902 |
| authorships[5].institutions[0].ror | https://ror.org/05ggn0a85 |
| authorships[5].institutions[0].type | education |
| authorships[5].institutions[0].lineage | https://openalex.org/I9073902 |
| authorships[5].institutions[0].country_code | CZ |
| authorships[5].institutions[0].display_name | University of Chemistry and Technology, Prague |
| authorships[5].author_position | middle |
| authorships[5].raw_author_name | Argyro Chatziadi |
| authorships[5].is_corresponding | False |
| authorships[5].raw_affiliation_strings | University of Chemistry and Technology |
| authorships[6].author.id | https://openalex.org/A5062539544 |
| authorships[6].author.orcid | https://orcid.org/0000-0001-9753-2465 |
| authorships[6].author.display_name | Eliška Skořepová |
| authorships[6].countries | CZ |
| authorships[6].affiliations[0].institution_ids | https://openalex.org/I4210122644 |
| authorships[6].affiliations[0].raw_affiliation_string | Czech Academy of Sciences, Institute of Physics |
| authorships[6].institutions[0].id | https://openalex.org/I4210122644 |
| authorships[6].institutions[0].ror | https://ror.org/02yhj4v17 |
| authorships[6].institutions[0].type | facility |
| authorships[6].institutions[0].lineage | https://openalex.org/I202391551, https://openalex.org/I4210122644 |
| authorships[6].institutions[0].country_code | CZ |
| authorships[6].institutions[0].display_name | Czech Academy of Sciences, Institute of Physics |
| authorships[6].author_position | middle |
| authorships[6].raw_author_name | Eliška Skořepová |
| authorships[6].is_corresponding | False |
| authorships[6].raw_affiliation_strings | Czech Academy of Sciences, Institute of Physics |
| authorships[7].author.id | https://openalex.org/A5091439592 |
| authorships[7].author.orcid | https://orcid.org/0000-0002-9742-7160 |
| authorships[7].author.display_name | Miroslav Šoóš |
| authorships[7].countries | CZ |
| authorships[7].affiliations[0].institution_ids | https://openalex.org/I9073902 |
| authorships[7].affiliations[0].raw_affiliation_string | University of Chemistry and Technology |
| authorships[7].institutions[0].id | https://openalex.org/I9073902 |
| authorships[7].institutions[0].ror | https://ror.org/05ggn0a85 |
| authorships[7].institutions[0].type | education |
| authorships[7].institutions[0].lineage | https://openalex.org/I9073902 |
| authorships[7].institutions[0].country_code | CZ |
| authorships[7].institutions[0].display_name | University of Chemistry and Technology, Prague |
| authorships[7].author_position | last |
| authorships[7].raw_author_name | Miroslav Šoóš |
| authorships[7].is_corresponding | False |
| authorships[7].raw_affiliation_strings | University of Chemistry and Technology |
| has_content.pdf | True |
| has_content.grobid_xml | True |
| is_paratext | False |
| open_access.is_oa | True |
| open_access.oa_url | https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63bbe805553889aae379616c/original/solid-state-vibrational-circular-dichroism-for-pharmaceutical-purposes.pdf |
| open_access.oa_status | gold |
| open_access.any_repository_has_fulltext | False |
| created_date | 2025-10-10T00:00:00 |
| display_name | Solid-state vibrational circular dichroism for pharmaceutical purposes |
| has_fulltext | True |
| is_retracted | False |
| updated_date | 2025-11-06T03:46:38.306776 |
| primary_topic.id | https://openalex.org/T12748 |
| primary_topic.field.id | https://openalex.org/fields/16 |
| primary_topic.field.display_name | Chemistry |
| primary_topic.score | 0.9994000196456909 |
| primary_topic.domain.id | https://openalex.org/domains/3 |
| primary_topic.domain.display_name | Physical Sciences |
| primary_topic.subfield.id | https://openalex.org/subfields/1607 |
| primary_topic.subfield.display_name | Spectroscopy |
| primary_topic.display_name | Molecular spectroscopy and chirality |
| related_works | https://openalex.org/W1557621940, https://openalex.org/W2591903726, https://openalex.org/W2176470422, https://openalex.org/W2111699871, https://openalex.org/W2071109517, https://openalex.org/W2624117386, https://openalex.org/W2384906884, https://openalex.org/W2001892418, https://openalex.org/W2806088729, https://openalex.org/W2402530205 |
| cited_by_count | 2 |
| counts_by_year[0].year | 2024 |
| counts_by_year[0].cited_by_count | 2 |
| locations_count | 1 |
| best_oa_location.id | doi:10.26434/chemrxiv-2023-3bxp0 |
| best_oa_location.is_oa | True |
| best_oa_location.source | |
| best_oa_location.license | cc-by-nc-nd |
| best_oa_location.pdf_url | https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63bbe805553889aae379616c/original/solid-state-vibrational-circular-dichroism-for-pharmaceutical-purposes.pdf |
| best_oa_location.version | acceptedVersion |
| best_oa_location.raw_type | posted-content |
| best_oa_location.license_id | https://openalex.org/licenses/cc-by-nc-nd |
| best_oa_location.is_accepted | True |
| best_oa_location.is_published | False |
| best_oa_location.raw_source_name | |
| best_oa_location.landing_page_url | https://doi.org/10.26434/chemrxiv-2023-3bxp0 |
| primary_location.id | doi:10.26434/chemrxiv-2023-3bxp0 |
| primary_location.is_oa | True |
| primary_location.source | |
| primary_location.license | cc-by-nc-nd |
| primary_location.pdf_url | https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63bbe805553889aae379616c/original/solid-state-vibrational-circular-dichroism-for-pharmaceutical-purposes.pdf |
| primary_location.version | acceptedVersion |
| primary_location.raw_type | posted-content |
| primary_location.license_id | https://openalex.org/licenses/cc-by-nc-nd |
| primary_location.is_accepted | True |
| primary_location.is_published | False |
| primary_location.raw_source_name | |
| primary_location.landing_page_url | https://doi.org/10.26434/chemrxiv-2023-3bxp0 |
| publication_date | 2023-01-17 |
| publication_year | 2023 |
| referenced_works | https://openalex.org/W2072253461, https://openalex.org/W2042710292, https://openalex.org/W2914613890, https://openalex.org/W4243356458, https://openalex.org/W2036113194, https://openalex.org/W2050051207, https://openalex.org/W1969768793, https://openalex.org/W2987532553, https://openalex.org/W2155173831, https://openalex.org/W2900000692, https://openalex.org/W1981368803, https://openalex.org/W2329153636, https://openalex.org/W2512081114, https://openalex.org/W3013391154, https://openalex.org/W2886483335, https://openalex.org/W1986001588, https://openalex.org/W2000815209, https://openalex.org/W2135443721, https://openalex.org/W2044591029, https://openalex.org/W1934853983, https://openalex.org/W2011454764, https://openalex.org/W3124310860, https://openalex.org/W2135446854, https://openalex.org/W2774538528, https://openalex.org/W2055930954, https://openalex.org/W3021510389, https://openalex.org/W1969762775, https://openalex.org/W2885645677, https://openalex.org/W3159361936, https://openalex.org/W2947428038, https://openalex.org/W3005118979 |
| referenced_works_count | 31 |
| abstract_inverted_index.a | 27, 87, 157, 165, 221 |
| abstract_inverted_index.20 | 188 |
| abstract_inverted_index.an | 118 |
| abstract_inverted_index.as | 112 |
| abstract_inverted_index.in | 5, 48, 53, 141, 190, 238 |
| abstract_inverted_index.is | 2, 20 |
| abstract_inverted_index.it | 19, 25 |
| abstract_inverted_index.mm | 189 |
| abstract_inverted_index.of | 16, 30, 62, 70, 120, 137, 147, 176, 209, 232 |
| abstract_inverted_index.on | 124 |
| abstract_inverted_index.to | 9, 45, 64, 160, 205 |
| abstract_inverted_index.we | 58, 85, 116 |
| abstract_inverted_index.(i) | 135 |
| abstract_inverted_index.Our | 214 |
| abstract_inverted_index.VCD | 63, 97, 126, 219 |
| abstract_inverted_index.and | 13, 24, 50, 94, 106, 151, 187, 192, 225 |
| abstract_inverted_index.for | 91, 229 |
| abstract_inverted_index.oil | 142 |
| abstract_inverted_index.one | 107 |
| abstract_inverted_index.the | 6, 11, 54, 60, 71, 80, 148, 169, 199, 210, 230 |
| abstract_inverted_index.two | 133 |
| abstract_inverted_index.use | 237 |
| abstract_inverted_index.was | 202 |
| abstract_inverted_index.(0.7 | 186 |
| abstract_inverted_index.(ii) | 145 |
| abstract_inverted_index.KCl, | 196 |
| abstract_inverted_index.acid | 109 |
| abstract_inverted_index.also | 41 |
| abstract_inverted_index.and, | 75 |
| abstract_inverted_index.drug | 212 |
| abstract_inverted_index.each | 138 |
| abstract_inverted_index.into | 156 |
| abstract_inverted_index.same | 72 |
| abstract_inverted_index.size | 185 |
| abstract_inverted_index.that | 217 |
| abstract_inverted_index.time | 175 |
| abstract_inverted_index.used | 4 |
| abstract_inverted_index.were | 130, 173 |
| abstract_inverted_index.with | 79, 164, 235 |
| abstract_inverted_index.(KBr, | 195 |
| abstract_inverted_index.(VCD) | 35 |
| abstract_inverted_index.CsI). | 197 |
| abstract_inverted_index.Here, | 57 |
| abstract_inverted_index.Solid | 128 |
| abstract_inverted_index.Then, | 198 |
| abstract_inverted_index.Using | 99 |
| abstract_inverted_index.X-ray | 0 |
| abstract_inverted_index.acid) | 111 |
| abstract_inverted_index.acids | 102 |
| abstract_inverted_index.agent | 181 |
| abstract_inverted_index.amino | 101 |
| abstract_inverted_index.being | 42 |
| abstract_inverted_index.forms | 69 |
| abstract_inverted_index.model | 113, 139, 149 |
| abstract_inverted_index.probe | 228 |
| abstract_inverted_index.small | 46 |
| abstract_inverted_index.solid | 55 |
| abstract_inverted_index.these | 38 |
| abstract_inverted_index.those | 78 |
| abstract_inverted_index.three | 100, 207 |
| abstract_inverted_index.using | 132 |
| abstract_inverted_index.while | 40 |
| abstract_inverted_index.First, | 84 |
| abstract_inverted_index.atomic | 12 |
| abstract_inverted_index.degree | 29 |
| abstract_inverted_index.effect | 119 |
| abstract_inverted_index.highly | 43 |
| abstract_inverted_index.matrix | 194 |
| abstract_inverted_index.pellet | 184, 193 |
| abstract_inverted_index.phase. | 56 |
| abstract_inverted_index.powder | 153 |
| abstract_inverted_index.rapid, | 223 |
| abstract_inverted_index.ratio, | 168 |
| abstract_inverted_index.(Nujol, | 182 |
| abstract_inverted_index.ability | 61 |
| abstract_inverted_index.achieve | 161 |
| abstract_inverted_index.agent); | 144 |
| abstract_inverted_index.applied | 204 |
| abstract_inverted_index.between | 66 |
| abstract_inverted_index.changes | 47 |
| abstract_inverted_index.costly, | 21 |
| abstract_inverted_index.crystal | 68, 233 |
| abstract_inverted_index.hydroxy | 108 |
| abstract_inverted_index.maximal | 166 |
| abstract_inverted_index.mixture | 146 |
| abstract_inverted_index.mulling | 180 |
| abstract_inverted_index.packing | 52 |
| abstract_inverted_index.pellet. | 158 |
| abstract_inverted_index.results | 163, 215 |
| abstract_inverted_index.samples | 129 |
| abstract_inverted_index.suggest | 216 |
| abstract_inverted_index.various | 121 |
| abstract_inverted_index.(matrix) | 154 |
| abstract_inverted_index.(mulling | 143 |
| abstract_inverted_index.(serine, | 103 |
| abstract_inverted_index.However, | 18 |
| abstract_inverted_index.alanine, | 104 |
| abstract_inverted_index.approach | 90, 201 |
| abstract_inverted_index.circular | 33 |
| abstract_inverted_index.commonly | 3 |
| abstract_inverted_index.compound | 140, 150 |
| abstract_inverted_index.greatest | 81 |
| abstract_inverted_index.identify | 77 |
| abstract_inverted_index.industry | 8 |
| abstract_inverted_index.molecule | 73 |
| abstract_inverted_index.prepared | 131 |
| abstract_inverted_index.reliable | 93 |
| abstract_inverted_index.requires | 26 |
| abstract_inverted_index.spectra. | 98, 127 |
| abstract_inverted_index.spectral | 177 |
| abstract_inverted_index.thereby, | 76 |
| abstract_inverted_index.(tartaric | 110 |
| abstract_inverted_index.antiviral | 211 |
| abstract_inverted_index.crystals. | 17 |
| abstract_inverted_index.determine | 10 |
| abstract_inverted_index.developed | 86 |
| abstract_inverted_index.diameter) | 191 |
| abstract_inverted_index.dichroism | 34 |
| abstract_inverted_index.different | 67 |
| abstract_inverted_index.drawbacks | 39 |
| abstract_inverted_index.following | 170 |
| abstract_inverted_index.molecular | 14, 51 |
| abstract_inverted_index.obtaining | 92 |
| abstract_inverted_index.optimized | 200 |
| abstract_inverted_index.overcomes | 37 |
| abstract_inverted_index.potential | 236 |
| abstract_inverted_index.resulting | 125 |
| abstract_inverted_index.sensitive | 44 |
| abstract_inverted_index.sometimes | 22 |
| abstract_inverted_index.structure | 15 |
| abstract_inverted_index.tyrosine) | 105 |
| abstract_inverted_index.universal | 88 |
| abstract_inverted_index.compressed | 155 |
| abstract_inverted_index.conditions | 123, 172 |
| abstract_inverted_index.expertise. | 31 |
| abstract_inverted_index.optimized: | 174 |
| abstract_inverted_index.polymorphs | 208 |
| abstract_inverted_index.potential. | 83 |
| abstract_inverted_index.relatively | 222 |
| abstract_inverted_index.represents | 220 |
| abstract_inverted_index.structural | 227 |
| abstract_inverted_index.suspension | 136 |
| abstract_inverted_index.(0.5‒3h), | 179 |
| abstract_inverted_index.Vibrational | 32 |
| abstract_inverted_index.acquisition | 178 |
| abstract_inverted_index.crystalline | 152 |
| abstract_inverted_index.diffraction | 1 |
| abstract_inverted_index.distinguish | 65, 206 |
| abstract_inverted_index.easy-to-use | 226 |
| abstract_inverted_index.ingredients | 115 |
| abstract_inverted_index.investigate | 59 |
| abstract_inverted_index.sofosbuvir. | 213 |
| abstract_inverted_index.solid-phase | 96 |
| abstract_inverted_index.solid-state | 218 |
| abstract_inverted_index.structures, | 234 |
| abstract_inverted_index.techniques: | 134 |
| abstract_inverted_index.(polymorphs) | 74 |
| abstract_inverted_index.conformation | 49 |
| abstract_inverted_index.considerable | 28 |
| abstract_inverted_index.experimental | 89, 122, 171 |
| abstract_inverted_index.fluorolube), | 183 |
| abstract_inverted_index.investigated | 117 |
| abstract_inverted_index.reproducible | 95 |
| abstract_inverted_index.spectroscopy | 36 |
| abstract_inverted_index.successfully | 203 |
| abstract_inverted_index.Additionally, | 159 |
| abstract_inverted_index.artifact-free | 162 |
| abstract_inverted_index.identification | 231 |
| abstract_inverted_index.pharmaceutical | 7, 82, 114 |
| abstract_inverted_index.pharmaceutics. | 239 |
| abstract_inverted_index.cost-effective, | 224 |
| abstract_inverted_index.signal-to-noise | 167 |
| abstract_inverted_index.time-consuming, | 23 |
| cited_by_percentile_year.max | 96 |
| cited_by_percentile_year.min | 94 |
| countries_distinct_count | 2 |
| institutions_distinct_count | 8 |
| sustainable_development_goals[0].id | https://metadata.un.org/sdg/9 |
| sustainable_development_goals[0].score | 0.5299999713897705 |
| sustainable_development_goals[0].display_name | Industry, innovation and infrastructure |
| citation_normalized_percentile.value | 0.54156022 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |