skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: The Third Ambient Aspirin Polymorph

Abstract

Polymorphism in aspirin (acetylsalicylic acid), one of the most widely consumed medications, was equivocal until the structure of a second polymorph II, similar in structure to the original form I, was reported in 2005. Here, the third ambient polymorph of aspirin is described. Lastly, it was crystallized from the melt and its structure was determined using a combination of X-ray powder diffraction analysis and crystal structure prediction algorithms.

Authors:
ORCiD logo [1];  [1];  [2];  [3];  [4];  [1];  [5]
  1. New York Univ., New York City, NY (United States)
  2. Univ. of Nevada, Las Vegas, NV (United States)
  3. Goethe Univ., Frankfurt am Main (Germany)
  4. Argonne National Lab. (ANL), Argonne, IL (United States)
  5. New York Univ., New York City, NY (United States); Waseda Univ., Tokyo (Japan)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Scientific User Facilities Division
OSTI Identifier:
1373897
Grant/Contract Number:
AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Crystal Growth and Design
Additional Journal Information:
Journal Volume: 17; Journal Issue: 6; Journal ID: ISSN 1528-7483
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Shtukenberg, Alexander G., Hu, Chunhua T., Zhu, Qiang, Schmidt, Martin U., Xu, Wenqian, Tan, Melissa, and Kahr, Bart. The Third Ambient Aspirin Polymorph. United States: N. p., 2017. Web. doi:10.1021/acs.cgd.7b00673.
Shtukenberg, Alexander G., Hu, Chunhua T., Zhu, Qiang, Schmidt, Martin U., Xu, Wenqian, Tan, Melissa, & Kahr, Bart. The Third Ambient Aspirin Polymorph. United States. doi:10.1021/acs.cgd.7b00673.
Shtukenberg, Alexander G., Hu, Chunhua T., Zhu, Qiang, Schmidt, Martin U., Xu, Wenqian, Tan, Melissa, and Kahr, Bart. 2017. "The Third Ambient Aspirin Polymorph". United States. doi:10.1021/acs.cgd.7b00673.
@article{osti_1373897,
title = {The Third Ambient Aspirin Polymorph},
author = {Shtukenberg, Alexander G. and Hu, Chunhua T. and Zhu, Qiang and Schmidt, Martin U. and Xu, Wenqian and Tan, Melissa and Kahr, Bart},
abstractNote = {Polymorphism in aspirin (acetylsalicylic acid), one of the most widely consumed medications, was equivocal until the structure of a second polymorph II, similar in structure to the original form I, was reported in 2005. Here, the third ambient polymorph of aspirin is described. Lastly, it was crystallized from the melt and its structure was determined using a combination of X-ray powder diffraction analysis and crystal structure prediction algorithms.},
doi = {10.1021/acs.cgd.7b00673},
journal = {Crystal Growth and Design},
number = 6,
volume = 17,
place = {United States},
year = 2017,
month = 5
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on May 17, 2018
Publisher's Version of Record

Save / Share:
  • The crystal structure of the third polymorph of the organic superconductor (BEDT-TTF){sub 2}Ag(CF{sub 3}){sub 4}(TCE), where BEDT-TTF is bis(ethylenedithio)tetrathiafulvalene and TCE is 1,1,2-trichloroethane, has been investigated. The crystal consists of alternating stacks of two types of donor sheets, {Kappa}- and {alpha}-types. Although this structure is similar to the previously solved two-layered high-T{sub c} phase of (BEDT-TTF){sub 2}Ag(CF{sub 3}){sub 4}(TCE), the axis perpendicular to the conducting layer of the unit cell of the new phase is twice as large as that of the two-layered phase; thus, four layers form the repeating unit. Superconductivity is attributed to the {Kappa}-type conducting layer, becausemore » the {alpha}-type conducting layer is in an acentric charge-ordered state. The onset superconducting transition temperatures are approximately 11.0 and 9.5 K for the four-layered and two-layered phases, respectively.« less
  • Sodium chromate Cr 51 was used to label red blood cells of 19 healthy male volunteers, whose stools were collected for four days before and four days during oral administration of either uncoated (N . 9) or enteric-coated (N . 10) aspirin. Each subject received 2.925 gm/day of aspirin, in three equal doses separated by eight-hour intervals, for a total of seven days. During drug use, stools were collected on days 4 through 7. Fecal blood content, estimated by measuring radioactivity in the stools, was significantly higher (P less than 0.001) during use of either type of aspirin than atmore » baseline, but losses measured during use of the coated aspirin (mean, 1.54 ml/day) were significantly lower (P less than 0.001) than those measured during use of the uncoated aspirin (mean, 4.33 ml/day). The two types of aspirin produced equivalent serum concentrations of salicylates. We conclude that enteric-coated aspirin reduces gastrointestinal blood loss.« less
  • Newborn sibling platyfish, Xiphophorus maculatus, were placed into one-third sea water (/sup 1///sub 3/ SW) and controls were retained in fresh water (FW). At 6 months of age, groups of fish were transferred from /sup 1///sub 3/ SW to FW for 2,3,4 and 7days. Light microscopic, cytometric, and autoradiographic analyses of the pituitary glands provided evidence of low synthetic activity in the prolactin cells of fish kept in /sup 1///sub 3/ SW for 6 months, and an increase in this activity by 2 days afetr fish were returned to FW. The similarity of these results to those previously obtained whenmore » platyfish were returned to FW from 30 days in /sup 1///sub 3/ SW suggests that the time required for the restoration of synthetic activity in their prolactin cells is not a function of the time spent in the saline medium.« less
  • We report the third harmonic generation of a nanosecond laser pulse (1.06 μm) in air ambient and in the presence of nanoparticles from laser ablated carbon plasma. Significant decrease in the threshold of third harmonic generation and multi-fold increment in the intensity of generated third harmonic is observed in presence of carbon plasma. The third harmonic in air is due to the quasi-resonant four photon process involving vibrationally excited states of molecular ion of nitrogen due to electron impact ionization and laser pulse. Following optical emission spectroscopic observations we conclude that the presence of C{sub 2} and CN in the ablatedmore » plume play a vital role in the observed third harmonic signals.« less
  • Using an in vivo canine chambered stomach preparation, the clearance of (/sup 14/C)aminopyrine across mucosa when intravenously infused and the back-diffusion of this substance from gastric lumen to mucosa when topically applied to gastric epithelium were evaluated in aspirin-damaged gastric epithelium. In mucosa damaged by either 20 mM or 40 mM aspirin, the recovery of (/sup 14/C)aminopyrine, when topically mixed with acid (pH . 1.1) perfusate solution, was not significantly different from nondamaged control mucosa. In addition, the degree of ''trapping'' of this substance from back-diffusion was not different in damaged mucosa from that observed in nondamaged epithelium. In contrast,more » when (/sup 14/C)aminopyrine was intravenously infused, its clearance was significantly impaired in aspirin-damaged mucosa when compared with control studies, as evidenced by the increased ''trapping'' of this substance in injured epithelium. These findings indicate that movement of aminopyrine from plasma to gastric lumen is impaired in damaged epithelium, making the aminopyrine clearance technique an unreliable method to accurately measure absolute gastric blood flow in this experimental setting.« less