Photo of Tonglei Li
Tonglei Li
Allen Chao Chair and Professor of Industrial and Physical Pharmacy
Phone: 765-494-1451
Fax: 765-494-6545
E-mail: tonglei@purdue.edu
Specialization: Solid-state organic chemistry, computational chemistry, formulation, and drug delivery
Education
BS, Chemistry, Nankai University, China, 1988 MS, Comp. Chemistry, Nankai University, China, 1991 MS, Computer Science, Purdue University, 1997 PhD, Pharmaceutics, Purdue University, 1999
Research

Dr. Li's research interests include solid-state chemistry, formulation and drug delivery. He has a long-standing passion for molecular modeling, simulation, and ab initio methods. His recent focus has been on applying electronic calculation methods for describing intermolecular approaches. Combining experimental and computational approaches, his laboratory aims to understand crystal packing and discover molecular mechanisms of crystal growth and other phase transition behaviors. The ultimate goal is to predict physicochemical and mechanical properties and drug action kinetics in humans based on the molecular structure of a drug compound.

Lab Members
Koushiki Basu (Graduate Student)
Venkata Sai Chelagamsetty (Graduate Student w Tonglei Li)
Peace O. Umoru (Graduate Student with Dr. Tonglei Li)
Representative Publications

https://www.ncbi.nlm.nih.gov/pubmed/?term=li%2C+tonglei

Book Chapter:  Kanupriya Verma and Tonglei Li, Interaction Locality in Molecular Crystals, in Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory, Shubin Liu (Ed.), Wiley, May 2022, Chapter 25

 

Paige N. Zambrana, Peng Hou, Dana C. Hammell, Tonglei Li, and Audra L. Stinchcomb, Understanding Formulation and Temperature Effects on Dermal Transport Kinetics by IVPT and Multiphysics Simulation. Pharmaceutical Research, 39, 893-905 (2022), DOI: 10.1007/s11095-022-03283-1

Weiwei Tang, Junbo Gong, and Tonglei Li, Kinetic Retraction at the Onset of Concomitant Crystallization and Implication on Polymorphic Formation. Molecular Pharmaceutics, (ASAP May 2022), DOI: 10.1021/acs.molpharmaceut.2c00125

Yongjiu Lv, Wei Wu, Clairissa D.  Corpstein, Tonglei Li, and Yi Lu, Biological and intracellular fates of drug nanocrystals through different delivery routes: Recent development enabled by bioimaging and PK modeling, Advanced Drug Delivery Review, 188, 114466 (2022), DOI: 10.1016/j.addr.2022.114466

Fengxia Zou, Li Zhou, Qiao Chen, Jinli Zhu, Jin Wang, Yanfeng Tang, Minmin Wang, Pengpeng Yang, and Tonglei Li, pH-dependent oiling-out during the polymorph transformation of disodium guanosine 5 '-monophosphate. CrystEngComm, 24, 1630-1637 (2022), DOI: 10.1039/d1ce01451j

Jiaxing Di, Zhili Du, Kangzeng Wu, Shanshan Jin, Xun Wang, Tonglei Li, and Yuhong Xu, Biodistribution and Non-linear Gene Expression of mRNA LNPs Affected by Delivery Route and Particle Size. Pharmaceutical Research, 39, 105-114 (2022), DOI: 10.1007/s11095-022-03166-5

Pyae Phyo, Wei Xu, Derek Frank, Tonglei Li, and Yongchao Su, Probing Molecular Packing of Drug Substances in Nanometer Domains in Pharmaceutical Formulations Using F-19 Magic Angle Spinning NMR. Journal of Physical Chemistry C, (Jun 2022), DOI: 10.1021/acs.jpcc.2c01871

Wei Wu, and Tonglei Li, Deepening the understanding of the in vivo and cellular fate of nanocarriers. Advanced Drug Delivery Review, 189, 114529 (2022), DOI: 10.1016/j.addr.2022.114529

Razan Haddad, Nasr Alrabadi, Bashar Altaani, Majed Masadeh, and Tonglei Li, Hydroxypropyl Beta Cyclodextrin as a Potential Surface Modifier for Paclitaxel Nanocrystals. AAPS PharmSciTech, 23 (6), 219 (2022), DOI: 10.1208/s12249-022-02373-y

Razan Haddad, Nasr Alrabadi, Bashar Altaani, and Tonglei Li, Paclitaxel Drug Delivery Systems: Focus on Nanocrystals' Surface Modifications, Polymers, 14, 658 (2022), DOI: 10.3390/polym14040658

 Sihui Long, Faquan Yu, Yunping Zhoujin, Yuping Li, Pengyu Liang, Panpan Zhou, Sean Parkin, and Tonglei Li, Effect of Homologation on the Polymorphism of Anthranilic Acids. Crystal Growth & Design, 22, 6207-6214 (2022), DOI: 10.1021/acs.cgd.2c00773

Yang Tao, Xiaoting Liu, Yunping Zhoujin, Panpan Zhou, Sean Parkin, Tonglei Li, Ju Guo, Faquan Yu, and Sihui Long, Conformational flexibility and substitution pattern lead to polymorphism of 3-methyl-2(phenylamino)benzoic acid. CrystEngComm, 24, 3217-3229 (2022), DOI: 10.1039/d2ce00126h

Yuping Li, Yang Tao, Yunping Zhoujin, Fang Zhao, Pengyu Liang, Sean Parkin,Tonglei Li, Panpan Zhou, and Sihui Long, π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues. CrystEngComm, 25, 432-443 (2023), DOI: 10.1039/D2CE01233B

Yunping Zhoujin, Yang Tao, Panpan Zhou, Sean Parkin, Tonglei Li, Ju Guo, Faquan Yu, and Sihui Long, Double substitution leads to a highly polymorphic system in 5-methyl-2-m-tolylamino-benzoic acid, CrystEngComm 24, 95-106 (2022)

Yunping Zhoujin, Yuping Li, Mingtao Zhang, Sean Parkin, Ju Guo, Tonglei Li, Faquan Yu, and Sihui Long, Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems, CrystEngComm, 24, 681-690 (2022)

Peng Hou, Fudan Zheng, Clairissa D. Corpstein, Lei Xing, and Tonglei Li, Multiphysics Modeling and Simulation of Subcutaneous Injection and Absorption of Biotherapeutics: Model Development. Pharm Res 38, 607–624 (2021)

Peng Hou, Fudan Zheng, Clairissa D. Corpstein, Lei Xing, and Tonglei Li, Multiphysics Modeling and Simulation of Subcutaneous Injection and Absorption of Biotherapeutics: Sensitivity Analysis. Pharm Res 38, 1011–1030 (2021)

Fudan Zheng, Peng Hou, Clairissa D Corpstein, Kinam Park, and Tonglei Li, Multiscale pharmacokinetic modeling of systemic exposure of subcutaneously injected biotherapeutics, J Control Release 337, 407-416 (2021)

Zhengjie Meng, Heather J. Boyce, Dajun Sun, Minori Kinjo, Saeid Raofi, and Tonglei Li, Preferential Oxycodone Loss of Physically Manipulated Abuse Deterrent Oxycodone HCl Extended Release Tablets Prepared for Nasal Insufflation Studies, Pharm Res 38, 1263–1278 (2021)

Zimei Wu and Tonglei Li, Nanoparticle-Mediated Cytoplasmic Delivery of Messenger RNA Vaccines: Challenges and Future Perspectives, Pharm Res 38, 473–478 (2021)

Yunping Zhoujin, Xing Yang, Mingtao Zhang, Ju Guo, Sean Parkin, Tonglei Li, Faquan Yu, and Sihui Long, Synthon Polymorphism and π–π Stacking in N-Phenyl-2-hydroxynicotinanilides, Cryst. Growth Des. 21, 11, 6155–6165 (2021)

Yunping Zhoujin, Mingtao Zhang, Sean Parkin, Tonglei Li, Faquan Yu, and Sihui Long,  A new solvate of clonixin and a comparison of the two clonixin solvates, RSC Adv. 11, 24836-24842 (2021)

Book Chapter:  Wei Gao, Clairissa D. Corpstein, and Tonglei Li, Delivering anticancer drugs as carrier-free nanocrystals, in Biomaterials for Cancer Therapeutics: Evolution and Innovation, Kinam Park (Ed.), Elsevier, 2020, 95-115, DOI: 10.1016/B978-0-08-102983-1.00004-1

Weiwei Tang, Yufeng Quan, Junbo Gong, Jingkang Wang, Qiuxiang Yin, and Tonglei Li, Form Selection of Concomitant Polymorphs: A Case Study Informed by Crystallization Kinetics Modeling, AIChE Journal, 2020, DOI: 10.1002/aic.17129

Jifen Zhang, Clairissa D. Corpstein, and Tonglei Li, Intracellular uptake of nanocrystals: probing with aggregation-induced emission of fluorescence and kinetic modeling, Acta Pharmaceutica Sinica B, 2020, DOI: 10.1016/j.apsb.2020.09.017

Hao Liu, Xing Yang, Jingtao Chen, Mingtao Zhang, Sean Parkin, Shuang Cao, Tonglei Li, Zhaoyong Yang, Faquan Yu, and Sihui Long, Steric Effect Determines the Formation of Lactam–Lactam Dimers or Amide C=OO···NH (Lactam) Chain Motifs in N-Phenyl-2-hydroxynicotinanilides, Crystal Growth & Design 2020, 20, 4346-4357, DOI: 10.1021/acs.cgd.0c00023

Hao Liu, Xing Yang, Shanyu Wu, Mingtao Zhang, Sean Parkin, Shuang Cao, Tonglei Li, Faquan Yu, Sihui Long, An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin, CrystEngComm, 2020, 22, 448-457, DOI: 10.1039/c9ce01619h

Xiaoying Wang, Liangzhen Qiu, Xiaying Wang, Huizhi Ouyang, Tonglei Li, Lifeng Han, Xue Zhang, Wei Xu, and Kedan Chu, Evaluation of intestinal permeation enhancement with carboxymethyl chitosan-rhein polymeric micelles for oral delivery of paclitaxel, International Journal of Pharmaceutics, 2020, 573, 118840, DOI: 10.1016/j.ijpharm.2019.118840

Weiwei Tang, Arthur D. Sima, Junbo Gong, Jingkang Wang, and Tonglei Li, Kinetic Difference between Concomitant Polymorphism and Solvent-Mediated Phase Transformation: A Case of Tolfenamic Acid. Crystal Growth & Design 2020, 20, 1779-1788, DOI: 10.1021/acs.cgd.9b01503

Lei Xing, Yue Li, and Tonglei Li, Local Concentrating, Not Shear Stress, That May Lead to Possible Instability of Protein Molecules During Syringe Injection: A Fluid Dynamic Study with Two-Phase Flow Model. PDA Journal 2019, 73, 260-275.

 

Book Chapter: Wei Gao, Clairissa D. Corpstein, Tonglei Li. Treating cancer by delivering drug nanocrystals, Chapter 4 in Biomaterials for Cancer Therapeutics: Evolution and Innovation, Kinam Park (Ed.), Elsevier, 2019

Yuting Liu, Mingtao Zhang, Danrui Xu, Sean Parkin, Tonglei Li, Conggang Li, Zhaoyong Yang, Faquan Yu, Sihui Long, Effect of Substituent Size and Isomerization on the Polymorphism of 2-(Naphthalenylamino)-benzoic Acids, Crystal Growth & Design,  2019, 3694-3703, DOI: 10.1021/acs.cgd.8b01902

Yi Lu, Yongjiu Lv, Tonglei Li, Hybrid drug nanocrystals, Advanced Drug Delivery Reviews, 2019, 143, 115-133, DOI: 10.1016/j.addr.2019.06.006

Wei Wu, Tonglei Li, Unraveling the in vivo fate and cellular pharmacokinetics of drug nanocarriers, Advanced Drug Delivery Reviews, 2019, 143, 1-2, DOI: 10.1016/j.addr.2019.08.003

Rituparna Bhattacharjee, Kanupriya Verma, Mingtao Zhang, Tonglei Li, Locality and strength of intermolecular interactions in organic crystals: using conceptual density functional theory (CDFT) to characterize a highly polymorphic system, Theoretical Chemistry Accounts, 2019, 138, 121, DOI: 10.1007/s00214-019-2508-0

Jian-Hua Li, Hui Zheng, Hua-Xiang Lin, Bo-Xin Zhang, Jia-Bin Wang, Tonglei Li, Qi-Qing Zhang, Preparation of Three Dimensional Hydroxyapatite Nanoparticles/Poly(vinylidene fluoride) Blend Membranes with Excellent Dye Removal Efficiency and Investigation of Adsorption Mechanism, Chinese Journal of Polymer Science, 2019, 37: 1234-1247, DOI: 10.1007/s10118-019-2271-7

Carla C. Sanchez, Arjun Kalra, Tonglei Li, and Michael Jay, Solid-state Characterization of Three Polymorphs of an Orally Available Analogue of Diethylenetriaminepentaacetic Acid, AAPS PharmSciTech, 2019, 20, 8, DOI: 10.1208/s12249-018-1234-6

Qi Zhou, Tonglei Li, Formulation and Manufacturing of Solid Dosage Forms, Pharmaceutical Research, 2019, 36, UNSP 16, DOI: 10.1007/s11095-018-2547-6

Xiaoting Ren, Jianping Qi, Wei Wu, Zongning Yin, Tonglei Li, and Yi Lu, Development of carrier-free nanocrystals of poorly water-soluble drugs by exploring metastable zone of nucleation, Acta Pharmaceutica Sinica B, 2019, 9, 118-127, DOI: 10.1016/j.apsb.2018.05.004

Xiaoying Wang, Yangli Guo, Liangzhen Qiu, Xiaying Wang, Tonglei Li, Lifeng Han, Huizhi Ouyang, Wei Xu, and Kedan Chu, Preparation and evaluation of carboxymethyl chitosan-rhein polymeric micelles with synergistic antitumor effect for oral delivery of paclitaxel, Carbohydrate Polymers, 2019, 206, 121-131, DOI: 10.1016/j.carbpol.2018.10.096

Christin P..Hollis, Alan K. Dozier, Barbara L. Knutson, and Tonglei Li, Preparation and characterization of multimodal hybrid organic and inorganic nanocrystals of camptothecin and gold, Acta Pharmaceutica Sinica B, 2019, 128-134, DOI: 10.1016/j.apsb.2018.03.005

Xiaoting Ren, Jianping Qi, Wei Wu, Zongning Yin, Tonglei Li, and Yi Lu, Development of carrier-free nanocrystals of poorly water-soluble drugs by exploring metastable zone of nucleation, Acta Pharmaceutica Sinica B, 2019, 9, 118-127, DOI: 10.1016/j.apsb.2018.05.004

Xiaoying Wang, Yangli Guo, Liangzhen Qiu, Xiaying Wang, Tonglei Li, Lifeng Han, Huizhi Ouyang, Wei Xu, and Kedan Chu, Preparation and evaluation of carboxymethyl chitosan-rhein polymeric micelles with synergistic antitumor effect for oral delivery of paclitaxel, Carbohydrate Polymers, 2019, 206, 121-131, DOI: 10.1016/j.carbpol.2018.10.096

Pengyun Yue, Sean Parkin, Faquan Yu, Tonglei Li, and Sihui Long, Peptidomimicry with C22-ymmetric Oligourea Derivatives of 1,2Diaminocyclohexane and 1,2Diphenyl, 1,2 diaminoethane: Chirality and Chain Length Dependent Conformation, ChemistrySelect, 2018, DOI: 10.1002/slct.20180190

Meng Liu, Guowen Shen, Zhong Yuan, Sean Parkin, Faquan Yu, Mingtao Zhang, Sihui Long, and Tonglei Li, Substituent Electronegativity and Isostructurality in the Polymorphism of Clonixin Analogues, Crystal Growth & Design, 2018, DOI: 10.1021/acs.cgd.8b01180

Siqing Peng, Faquan Yu, Danrui Xu, Conggang Li, Sean R. Parkin, Tonglei Li, Mingtao Zhang, and Sihui Long, Structural Isomerization of 2-Anilinonicotinic Acid Leads to a New Synthon in 6-Anilinonicotinic Acids, Crystal Growth & Design, 2018, 18 (9), 4849–4859, DOI: 10.1021/acs.cgd.8b00840

Pengyun Yue, Caiqiao Dong, Mingtao Zhang, Danrui Xu, Sean Parkin, Tonglei Li, Conggang Li, Faquan Yu, and Sihui Long, Zwitterion Formation and Subsequent Carboxylate-Pyridinium NH Synthon Generation through Isomerization of 2-Anilinonicotinic Acid, CrystEngComm, 2018, 20, 6126-6132, DOI: 10.1039/C8CE01255E

Christin P. Hollis, Alan K. Dozier, Barbara L. Knutson, and Tonglei Li, Preparation and characterization of multimodal hybrid organic and inorganic nanocrystals of camptothecin and gold, Acta Pharmaceutica Sinica B, 2018, DOI: 10.1016/j.apsb.2018.03.005

Arjun Kalra, Joseph W. Lubach, Eric J. Munson, and Tonglei Li, Exploring Molecular Speciation and Crystallization Mechanism of Amorphous 2-Phenylamino Nicotinic Acid, Pharmaceutical Research, 35:51, 2018, DOI: 10.1007/s11095-018-2346-0

Arjun Kalra, Mingtao Zhang, Sean Parkin and, Tonglei Li, Crystal packing and crystallization tendency from the melt of 2-((2-ethylphenyl)amino)nicotinic acid, Zeitschrift für Kristallographie - Crystalline Materials, 233:9-16, 2018, DOI: 10.1515/zkri-2017-2070

Arjun Kalra, Paul Luner, Lynne S. Taylor, Stephen R. Byrn, and Tonglei Li, Gaining Thermodynamic Insight From Distinct Glass Formation Kinetics of Structurally Similar Organic Compounds, Journal of Pharmaceutical Sciences, 107:192-202, 2018, DOI: 10.1016/j.xphs.2017.06.012

Yike Xie, Baokui Shi, Fei Xia, Jianping Qi, Xiaochun Dong, Weili Zhao, Tonglei Li, Wei Wu, and Yi Lu, Epithelia transmembrane transport of orally administered ultrafine drug particles evidenced by environment sensitive fluorophores in cellular and animal studies, Journal of Controlled Release, 270:65-75, 2018, DOI: 10.1016/j.jconrel.2017.11.046

Arjun Kalra, Joseph W. Lubach, Eric J. Munson, and Tonglei Li, Exploring Molecular Speciation and Crystallization Mechanism of Amorphous 2-Phenylamino Nicotinic Acid, Pharmaceutical Research, 35:51, 2018, DOI: 10.1007/s11095-018-2346-0

Arjun Kalra, Mingtao Zhang, Sean Parkin and, Tonglei Li, Crystal packing and crystallization tendency from the melt of 2-((2-ethylphenyl)amino)nicotinic acid, Zeitschrift für Kristallographie - Crystalline Materials, 233:9-16, 2018, DOI: 10.1515/zkri-2017-2070

Arjun Kalra, Paul Luner, Lynne S. Taylor, Stephen R. Byrn, and Tonglei Li, Gaining Thermodynamic Insight From Distinct Glass Formation Kinetics of Structurally Similar Organic Compounds, Journal of Pharmaceutical Sciences, 107:192-202, 2018, DOI: 10.1016/j.xphs.2017.06.012

Yike Xie, Baokui Shi, Fei Xia, Jianping Qi, Xiaochun Dong, Weili Zhao, Tonglei Li, Wei Wu, and Yi Lu, Epithelia transmembrane transport of orally administered ultrafine drug particles evidenced by environment sensitive fluorophores in cellular and animal studies, Journal of Controlled Release, 270:65-75, 2018, DOI: 10.1016/j.jconrel.2017.11.046

Weiwei Tang, Huaping Mo, Mingtao Zhang, Sean Parkin, Junbo Gong, Jingkang Wang, and Tonglei Li, Persistent Self-Association of Solute Molecules in Solution, Journal of Physical Chemistry B, 121:10118-10124, 2017, DOI: 10.1021/acs.jpcb.7b07763

Sihui Long, Tengfei Mao, Peng Chen, Meng Liu, Sean Parkin, Mingtao Zhang, Tonglei Li, Panpan Zhou, and Faquan Yu, Strong Hydrogen Bond Leads to a Fifth Crystalline Form and Polymorphism of Clonixin, Chemistry Select, 2:4942 – 4950, 2017, DOI: 10.1002/slct.201700947

Weiwei Tang, Huaping Mo, Mingtao Zhang, Junbo Gong, Jingkang Wang, and Tonglei Li, Glycine’s pH-Dependent Polymorphism: A Perspective from Self-Association in Solution, Crystal Growth and Design, 17:5028−5033, 2017 DOI: 10.1021/acs.cgd.7b00969

Sharad Mangal, Wei Gao, Tonglei Li, Qi Zhou, Pulmonary delivery of nanoparticle chemotherapy for the treatment of lung cancers: challenges and opportunities, Acta Pharmacologica Sinica, 38:782–797, 2017, DOI: 10.1038/aps.2017.34

Weiwei Tang, Mingtao Zhang, Huaping Mo, Junbo Gong, Jingkang Wang, and Tonglei Li, Higher-Order Self-Assembly of Benzoic Acid in Solution, Crystal Growth & Design, 17:5049−5053, 2017, DOI: 10.1021/acs.cgd.7b01078

Meng Liu, Chuming Yin, Peng Chen, Mingtao Zhang, Sean Parkin, Panpan Zhou, Tonglei Li, Faquan Yu, and Sihui Long, sp2CHâ�¯Cl hydrogen bond in the conformational polymorphism of 4-chloro-phenylanthranilic acid, CrystEngComm, 19:4345–4354, 2017, DOI: 10.1039/c7ce00772h

Guoguang Wei, Sharad Mangal, John Denman, Thomas Gengenbach, Kevin Lee Bonar, Rubayat I.Khan, Li Qu, Tonglei Li, Qi Zhou, Effects of Coating Materials and Processing Conditions on Flow Enhancement of Cohesive Acetaminophen Powders by High-Shear Processing With Pharmaceutical Lubricants, Journal of Pharmaceutical Sciences, 106:3022-3032, 2017, DOI: doi.org/10.1016/j.xphs.2017.05.020

X Zhang, H Wen, J Fan, B Vince, T Li, W Gao, M Kinjo, J Brown, W Sun, W Jiang, and R Lionberger, Integrating In Vitro, Modeling, and In Vivo Approaches to Investigate Warfarin Bioequivalence, CPT Pharmacometrics & System Pharmacology, 6:523-531, 2017, DOI: 10.1002/psp4.12198

Wei Gao, Deborah Lee, Zhengjie Meng, Tonglei Li, Exploring intracellular fate of drug nanocrystals with crystal-integrated and environment-sensitive fluorophores, Journal of Controlled Release, 267:214-222, 2017, DOI: 10.1016/j.jconrel.2017.08.031

Arjun Kalra, Patrick Tishmack, Joseph W. Lubach, Eric J. Munson, Lynne S. Taylor, Stephen R. Byrn, and Tonglei Li, Impact of Supramolecular Aggregation on the Crystallization Kinetics of Organic Compounds from the Supercooled Liquid State, Molecular Pharmaceutics, 14, 2126−2137, 2017, DOI: 10.1021/acs.molpharmaceut.7b00245

Haichen Nie, Yongchao Su, Mingtao Zhang, Yang Song, Anthony Leone, Lynne S. Taylor, Patrick J. Marsac, Tonglei Li, and Stephen R. Byrn, Solid-State Spectroscopic Investigation of Molecular Interactions between Clofazimine and Hypromellose Phthalate in Amorphous Solid Dispersions, Molecular Pharmaceutics, 13:3964-3975, 2016, DOI: 10.1021/acs.molpharmaceut.6b00740

Wei Gao, Yan Chen, David H. Thompson, Kinam Park, and Tonglei Li, Impact of surfactant treatment of paclitaxel nanocrystals on biodistribution and tumor accumulation in tumor-bearing mice, Journal of Controlled Release, 237:168-176, 2016, 10.1016/j.jconrel.2016.07.015

Sihui Long, Mingtao Zhang, Panpan Zhou, Faquan Yu, Sean Parkin, and Tonglei Li Tautomeric Polymorphism of 4Hydroxynicotinic Acid, Crystal Growth & Design, 16:2573-2580, 2016, DOI:10.1021/acs.cgd.5b01639

Mingtao Zhang and Tonglei Li, Intermolecular Interactions in Organic Crystals: Gaining Insight from Electronic Structure Analysis by Density Functional Theory, CrystEngComm, 16:7162-7171, 2014, DOI: 10.1039/c4ce00411f.

Alessandra Mattei, and Tonglei Li, Solution Chemistry and Its Implication on Nucleation of Conformational Polymorphs: A Computational Study of Tolfenamic Acid by Explicit Solvation, Crystal Growth & Design, 14:2709-2713, 2014, DOI:10.1021/cg5000815.

Xi Lu, Yawei Zhang, Mingtao Zhang, Tonglei Li, The Effect of Substituents on the Hydrogenation of an Aldehyde Catalyzed by Knölker's Catalyst, Journal of Organometallic Chemistry, 749:69-74, 2014.

Ying Lu, Zhaohui Wang, Tonglei Li, Helen McNally, Kinam Park, and Michael Sturek, Development and evaluation of transferrin-stabilized paclitaxel nanocrystal formulation, Journal of Controlled Release, 176:76-85, 2014.

Hua Zhang, Xueqing Wang, Wenbing Dai, Richard A. Gemeinhart, Qiang Zhang, and Tonglei Li, Pharmacokinetics and Treatment Efficacy of Metastatic Lung Cancer by Camptothecin Nanocrystals, Molecular Pharmaceutics, 11:226-233, 2014.

Sihui Long, Panpan Zhou, Sean Parkin, and Tonglei Li, From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs, Crystal Growth & Design, 14:27-31, 2014.

X. Lu, Y.Zhang, P. Yun, M. Zhang, and T. Li, The Mechanism for the Hydrogenation of Ketones Catalyzed by Knölker's Iron-Catalyst, Organic & Biomolecular Chemistry, 11:5264-5277, 2013.

A. Mattei, X. Mei, A. Miller, and T. Li, Pre-Nucleation Self-Association of Tolfenamic Acid: Solution Chemistry and Implication on Polymorph Formation, Crystal Growth & Design, 13:3303-3307, 2013.

C.P. Hollis, H.L. Weiss, M. Leggas, B.M. Evers, R.A. Gemeinhart, and T. Li, Biodistribution and Bioimaging Studies of Hybrid Paclitaxel Nanocrystals: Lessons Learned of the EPR Effect and Image-Guided Drug Delivery, Journal of Controlled Release, 172:12-21, 2013.

Panpan Zhou, Paul W. Ayers, Shubin Liu, and Tonglei Li, Local Reactivity Descriptors Based on Natural Bond Orbital Occupancy: Natural Orbital Fukui Functions (NOFFs) and their applications in the reaction mechanisms of addition reactions, Physical Chemistry Chemical Physics 14 (2012): 9890-9896.

Alessandra Mattei and Tonglei Li, Polymorph Formation and Nucleation Mechanism of Tolfenamic Acid in Solution: An Investigation of Pre-Nucleation Solute Association, Pharmaceutical Research, 29:460-470, 2012.

Tonglei Li, Alessandra Mattei, and Panpan Zhou, Electronic Origin of Pyridinyl N Being A Better Hydrogen-Bonding Acceptor Than Carbonyl O, CrystEngComm, 13:6356-6360, 2011.

Rongsheng Zhao, Christin P. Hollis, Hua Zhang, Lili Sun, Richard A. Gemeinhart, and Tonglei Li, Hybrid Nanocrystals: Achieving Concurrent Therapeutic and Bioimaging Functionalities Toward Solid Tumors, Molecular Pharmaceutics, 8:1985-1991, 2011.

Hua Zhang, Christin P. Hollis, Qiang Zhang, and Tonglei Li, Preparation and Antitumor Study of Camptothecin Nanocrystals, International Journal of Pharmaceutics, 415:293-300, 2011.

Sihui Long and Tonglei Li, Phase Transition from Two Z’ = 1 Forms to A Z’ = 2 Form of A Concomitant Conformational Polymorphic System, Crystal Growth & Design, 11:414-421, 2011.

Paul W. Ayers, Shubin Liu, and Tonglei Li, Stability Conditions for Density Functional Reactivity Theory: An Interpretation of the Total Local Hardness, Physical Chemistry Chemical Physics, 13:4427-4433, 2011.

Sihui Long and Tonglei Li, Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid-Acid Homosynthon over the Acid-Pyridine Heterosynthon in 2-Anilinonicotinic Acids, Crystal Growth & Design, 10:2465-2469, 2010.