PMID- 26744333
OWN - NLM
STAT- MEDLINE
DCOM- 20161213
LR  - 20181113
IS  - 1573-904X (Electronic)
IS  - 0724-8741 (Linking)
VI  - 33
IP  - 4
DP  - 2016 Apr
TI  - Identification of New Cocrystal Systems with Stoichiometric Diversity of 
      Salicylic Acid Using Thermal Methods.
PG  - 1030-9
LID - 10.1007/s11095-015-1849-1 [doi]
AB  - PURPOSE: The purpose of this work was to develop thermal methods to identify 
      cocrystal systems with stoichiometric diversity. METHODS: Differential scanning 
      calorimetry (DSC) and hot stage microscopy (HSM) have been applied to study the 
      stoichiometric diversity phenomenon on cocrystal systems of the model compound 
      salicylic acid (SA) with different coformers (CCFs). The DSC method was 
      particularly useful in the identification of cocrystal re-crystallization, 
      especially to improve the temperature resolution using a slower heating rate. HSM 
      was implemented as a complementary protocol to confirm the DSC results. The 
      crystal structures were elucidated by single-crystal X-ray diffraction (SXRD). 
      RESULTS: Two new cocrystal systems consisting of salicylic acid-benzamide 
      (SA-BZD, 1:1, 1:2) and salicylic acid-isonicotinamide (SA-ISN, 1:1, 2:1) have 
      been identified in the present work. The chemical structures of the newly 
      discovered cocrystals SA-BZD (1:2) and SA-ISN (2:1) have been elucidated using 
      X-ray single crystal and powder diffraction methods. CONCLUSIONS: The developed 
      thermal methods could rapidly identify cocrystal systems with stoichiometric 
      diversity, with the potential to discover new pharmaceutical cocrystals in the 
      future.
FAU - Zhou, Zhengzheng
AU  - Zhou Z
AD  - State Key Laboratory of Quality Research in Chinese Medicine, Institute of 
      Chinese Medical Sciences, University of Macau, Macao, SAR, China.
FAU - Chan, Hok Man
AU  - Chan HM
AD  - State Key Laboratory of Quality Research in Chinese Medicine, Institute of 
      Chinese Medical Sciences, University of Macau, Macao, SAR, China.
FAU - Sung, Herman H-Y
AU  - Sung HH
AD  - Department of Chemistry, The Hong Kong University of Science & Technology, Hong 
      Kong, SAR,, China.
FAU - Tong, Henry H Y
AU  - Tong HH
AD  - School of Health Sciences, Macao Polytechnic Institute, Macao, SAR, China. 
      henrytong@ipm.edu.mo.
FAU - Zheng, Ying
AU  - Zheng Y
AD  - State Key Laboratory of Quality Research in Chinese Medicine, Institute of 
      Chinese Medical Sciences, University of Macau, Macao, SAR, China. yzheng@umac.mo.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20160107
PL  - United States
TA  - Pharm Res
JT  - Pharmaceutical research
JID - 8406521
RN  - 0 (Anti-Infective Agents)
RN  - 0 (Benzamides)
RN  - 25X51I8RD4 (Niacinamide)
RN  - 4H3BH6YX9Q (isonicotinamide)
RN  - 6X80438640 (benzamide)
RN  - O414PZ4LPZ (Salicylic Acid)
SB  - IM
MH  - Anti-Infective Agents/*chemistry
MH  - Benzamides/*chemistry
MH  - Calorimetry, Differential Scanning
MH  - Crystallization
MH  - Crystallography, X-Ray
MH  - Models, Molecular
MH  - Niacinamide/*chemistry
MH  - Powder Diffraction
MH  - Salicylic Acid/*chemistry
MH  - Temperature
OTO - NOTNLM
OT  - cocrystal
OT  - differential scanning calorimetry (DSC)
OT  - hot stage microscopy (HSM)
OT  - salicylic acid (SA)
OT  - stoichiometry
OT  - thermal
EDAT- 2016/01/09 06:00
MHDA- 2016/12/15 06:00
CRDT- 2016/01/09 06:00
PHST- 2015/09/11 00:00 [received]
PHST- 2015/12/21 00:00 [accepted]
PHST- 2016/01/09 06:00 [entrez]
PHST- 2016/01/09 06:00 [pubmed]
PHST- 2016/12/15 06:00 [medline]
AID - 10.1007/s11095-015-1849-1 [pii]
AID - 10.1007/s11095-015-1849-1 [doi]
PST - ppublish
SO  - Pharm Res. 2016 Apr;33(4):1030-9. doi: 10.1007/s11095-015-1849-1. Epub 2016 Jan 
      7.