# info@crystallizationsummit.com

Speaker Publication 2022

Dr. Ahmad Sheikh

A data-driven and topological mapping approach for the a priori prediction of stable molecular crystalline hydrates”, Richard S. Hong Alessandra Mattei, Ahmad Y. Sheikh, and Mark E. Tuckerman, PNAS 119 (43) e2204414119

Efficient crystal structure prediction for structurally related molecules with accurate and transferable tailor-made force fields”, Alessandra Mattei, et al, J. Chem. Theory Comput. 2022, 18, 9, 5725–5738

Origins and Implications of Extraordinarily Soft Crystals in a Fixed-Dose Combination Hepatitis C Regimen”, Rajni Miglani Bhardwaj et al, Cryst. Growth Des. 2022, 22, 7, 4250–4259

Overcoming Bioavailability Challenges of Dasabuvir and Enabling a Triple-Combination Direct-Acting Antiviral HCV Regimen through a Salt of Very Weak Acid for Oral Delivery”, Shuang Chen et al, Mol. Pharmaceutics 2022, 19, 7, 2367–2379

Prof. Allan Myerson

Impurity incorporation in solution crystallization: diagnosis, prevention, and control”, Gerard Capellades, Jacob O. Bonsu and Allan S. Myerson,  CrystEngComm, 2022, 24, 1989-2001

From Laser Speckle to Particle Size Distribution in drying powders: A Physics-Enhanced AutoCorrelation-based Estimator (PEACE)”, Qihang Zhang et al, arXiv preprint arXiv:2204.09516 (2022)

Dr. Ann Newman

What Are the Important Factors That Influence API Crystallization in Miscible Amorphous API−Excipient Mixtures during Long-Term Storage in the Glassy State?”, Ann Newman and George Zograf, Mol. Pharmaceutics 2022, 19, 378−391

Considerations in the Development of Physically Stable High Drug Load API-Polymer Amorphous Solid Dispersions in the Glassy State”, Ann Newman, George Zografi, Journal of Pharmaceutical Sciences, 112, 1, 2023, 8-18

Mr. Brian Samas

Crystal structures of anhydrous and hydrated ceftibuten”, M. L. Nisbet, M. Puzan, L. Wojtas, B. Samas and G. P. F. Wood, Acta Cryst. (2022). E78, 381-384

Prof. Calvin (Changquan) Sun

Nanomechanical testing in drug delivery: Theory, applications, and emerging trends”, Sushmita Majumder, Changquan Calvin Sun, Nathan A. Mara, Advanced Drug Delivery Reviews 183 (2022) 114167

Simultaneous improvement of physical stability, dissolution, bioavailability, and antithrombus efficacy of Aspirin and Ligustrazine through cocrystallization”, Kairu Wang et al, International Journal of Pharmaceutics 616 (2022) 121541

Complexation with aromatic carboxylic acids expands the solid-state landscape of berberine”, Ziyao Gao, Shuyu Liu, Changquan Calvin Sun, International Journal of Pharmaceutics 617 (2022) 121587

Air entrapment during tablet compression – Diagnosis, impact on tableting performance, and mitigation strategies”, Gerrit Vreeman , Changquan Calvin Sun, International Journal of Pharmaceutics 615 (2022) 121514

Mechanisms of Crystal Plasticization by Lattice Water”, Chenguang Wang, Changquan Calvin Sun, Pharmaceutical Research (2022)

Profound effects of gastric secretion rate variations on the precipitation of erlotinib in duodenum – An in vitro investigation”, Yiwang Guo , Changquan Calvin Sun, International Journal of Pharmaceutics 619 (2022) 121722

A Rheological Approach for Predicting Physical Stability of Amorphous Solid Dispersions”, Sichen Song et al, Journal of Pharmaceutical Sciences, Volume 112, Issue 1, 2023, Pages 204-212

A critical examination of three-point bending for determining Young’s modulus”, Chenguang Wang, Changquan Calvin Sun, International Journal of Pharmaceutics, 629(2022) 122409

Profoundly improved photostability of dimetronidazole by cocrystallization”, Xinghui Hao,  Jinhui Li, Chenguang Wang, Xinghua Zhao, Xin He and  Changquan Calvin Sun, CrystEngComm, 2022,24, 6165-6171

An extended macroindentation method for determining the hardness of poorly compressible materials”, Shubhajit Paul, Chenguang Wang, Changquan Calvin Sun, International Journal of Pharmaceutics 624 (2022), 122054

A powder tabletability equation”, Gerrit Vreeman, Changquan Calvin Sun, Powder Technology 408(2022), 117709

Effect of deaeration on processability of poorly flowing powders by roller compaction”, Chenguang Wanga, Zijian Wang, Albin Friedrich, Changquan Calvin Sun, International Journal of Pharmaceutics 621(2022), 121803

Profound effects of gastric secretion rate variations on the precipitation of erlotinib in duodenum–An in vitro investigation”, Yiwang Guo, Changquan Calvin Sun, International Journal of Pharmaceutics 619(2022), 121722

Prof. Calvin (Changquan) Sun and Prof. Raj Dave

Crystal and Particle Engineering–An Indispensable Tool for Developing and Manufacturing Quality Pharmaceutical Products”, Changquan Calvin Sun, Rajesh N. Davé, Pharmaceutical Research (2022)

Prof. Calvin (Changquan) Sun and Dr. Bing-Shiou Yang

Bioavailability-Enhancing Cocrystals: Screening, In Vivo Predictive Dissolution, and Supersaturation Maintenance”, Dabing Chen et al, Cryst. Growth Des. 2022, 22, 9, 5154–5167

Dr. Chandler Greenwell

The interplay of intra- and intermolecular errors in modeling conformational polymorphs”, Gregory J. O. Beran et al, J. Chem. Phys. 156, 104112 (2022)

Dr. Christopher Burcham

Optimizing the selection of drug-polymer-water formulations for spray-dried solid dispersions in pharmaceutical manufacturing”, Suela Jonuzaj, Christopher L.Burcham, Amparo Galindo, George Jackson, Claire S.Adjiman, Computer Aided Chemical Engineering, 49, 2022, 2185-2190

Dr. Deniz Erdemir

Continuous Feeding and Blending Demonstration with Co-Processed Drug Substance”, Deniz Erdemir et al, Journal of Pharmaceutical Sciences 2022

Dr. Harsh S. Shah

Drug Design, Synthesis and Biological Evaluation of Heterocyclic Molecules as Anti-Inflammatory Agents”, Jignasa Savjani et al, Molecules 2022, 27(4), 1262

Process Modelling, Scale-Up and Characterization of Acetaminophen Spray Dried Milk Powder as Novel Pediatric Dosage Form”, Harsh S. Shah, Urmilasri Syamala, Khushbu Chaudhari, Jignasa Savjani & Shital Butani, Pharmaceutical Research volume 39, pages2885–2903 (2022)

Dr. Jessica Bruhn

Absolute configuration determination of pharmaceutical crystalline powders by microcrystal electron diffraction (MicroED) via chiral salt formation”, Bo Wang et al, Chem. Commun., 2022, 58, 4711-4714

Prof. Junbo Gong

Insoluble Salt of Memantine with a Unique Fluorescence Phenomenon”, Wenjie Kuang et al, Mol. Pharmaceutics 2022, 19, 5, 1389–1399

Novel Drug−Drug Multicomponent Crystals of Epalrestat− Metformin: Improved Solubility and Photostability of Epalrestat and Reduced Hygroscopicity of Metformin”, Jingjing Sun et al, Cryst. Growth Des. 2022, 22, 1005−1016

Structural Insights into the Highly Solvating System of Axitinib via Binary and Ternary Solvates”, Haibin Qu et al, Cryst. Growth Des. 2022, 22, 1083−1093

Bendable and Twistable Crystals of Flufenamic Acid Form III with Bending Mechanofluorochromism Behavior”, Yu Liu et al, Cryst. Growth Des. 2022, 22, 1312−1318

Theoretical and Structural Understanding of the Different Factors Influencing the Formation of Multicomponent Crystals of 2,4- Dichlorophenoxyacetic Acid with Nheterocyclic Compounds”, -Lan Fang et al, Cryst. Growth Des. 2022, 22, 1707−1719

Ultrasound assisted crystallization of cephalexin monohydrate: Nucleation mechanism and crystal habit control”, Zeren Shang et al, Chinese Journal of Chemical Engineering 41 (2022) 430–440

Progress and Principle of Drug Nanocrystals for Tumor Targeted Delivery”, Meng Bai et al, AAPS PharmSciTech (2022) 23: 41

The solid-liquid equilibrium behavior of 2,7-dihydroxynaphthalene in eleven organic solvents: Thermodynamic analysis and molecular simulation understanding”, Lan Fang Li et al, The Journal of Chemical Thermodynamics 170 (2022) 106781

Thermodynamic analysis and molecular dynamic simulation of the solubility of 2,2-Bis(hydroxymethyl)propionic acid in 12 monosolvents”, Zhixu Li et al, J. Chem. Thermodynamics 164 (2022) 106625

Non-Negligible Modulation Role of the Solvent in the Asymmetric Growth of α-Resorcinol”, Zhenkai Cen, Lingyu Wang, Jiawei Lin, Zhenjie Gao, Yaobin Zhang, Yuting Cao, Junbo Gong, and Dandan Ha, Cryst. Growth Des. 2022, 22, 10, 6240–6247

Highly Efficient and Solvent-Free Purification Technique and Model Study of Layer Melt Crystallization”, Wei Hong, Shengzhe Jia, Yongjun Chen, Qilin Mou, Zhenguo Gao, and Junbo Gong, ACS Sustainable Chem. Eng. 2022, 10, 49, 16450–16458

Luminescent Möbius Strip of a Flexible Halogen-Bonded Cocrystal Evolved from Ring and Helix”, Yifu Chen, Bo Jing, Zewei Chang, and Junbo Gong, JACS Au 2022

Multivariate Analysis of a Highly Effective Drug Combination Tablet Containing the Antiepileptic Drug Gabapentin to Enhance Pharmaceutical Properties with a Multivariate Analysis of a Highly Effective Drug Combination Tablet Containing the Antiepileptic Drug Gabapentin to Enhance Pharmaceutical Properties with a Multicomponent Crystal Strategy”, Chenyang Zhao, Xin Su, Lan Fang, Zeren Shang, Zhonghua Li, Junbo Gong, and Songgu Wu, Cryst. Growth Des. 2022, 22, 12, 7234–7247

Synergistic Control of Nonlinear Growth Kinetics and Nucleation Kinetics in the Concomitant Crystallization of Aripiprazole as Reflected by the Ostwald Ratio”, Zhenjie Gao, Zhenkai Cen, Jiawei Lin, Zhixu Li, Lan Fang, Zhenguo Gao, Dandan Han, and Junbo Gong, Ind. Eng. Chem. Res. 2022, 61, 46, 17183–17195

Cationic Defect Engineering in Spinel NiCo2O4 for Enhanced Electrocatalytic Oxygen Evolution”, Jingxuan Zheng, Xiangfeng Peng, Zhao Xu, Junbo Gong, and Zhao Wang, ACS Catal. 2022, 12, 16, 10245–10254

Conformational Trimorphism in an Ionic Cocrystal of Hesperetin”, Shasha Jin, Molly M. Haskins, Yassin H. Andaloussi, Ruiling Ouyang, Junbo Gong, and Michael J. Zaworotko, Cryst. Growth Des. 2022, 22, 11, 6390–6397

Drug–Drug Multicomponent Crystals of Epalrestat: A Novel Form of the Drug Combination and Improved Solubility and Photostability of Epalrestat”, Min Li, Jingjing Sun, Wenjie Kuang, Lina Zhou, Dandan Han, and Junbo Gong, Cryst. Growth Des. 2022, 22, 8, 5027–5035

Design of Single and Multicomponent Drug Spherical Particles with Improved Powder Properties in Water Instead of Organic Solvents: A Case Study of Gemfibrozil”, Shuo Wang et al, ACS Sustainable Chem. Eng. 2022, 10, 37, 12411–12422

Study on Thermodynamics and Kinetics of Cephalexin Enzymatic Hydrolysis and Its Process Development to Prepare 7-ADCA”, Junli Zhang, Erhong Duan, Songgu Wu, Zeren Shang, Baohong Hou, Junbo Gong and Hua Sun, Crystals 2022, 12(11), 1662

Mechano-thermochemical synthesis of rare-earth metal–organic frameworks with solvent-free coordination for visible and near-infrared emission”, Jiaqiang Liu, Yifu Chen, Xin Su and Junbo Gong, Mater. Chem. Front., 2022,6, 3504-3511

Mechanical Motion and Modulation of Thermal‐Actuation Properties in a Robust Organic Molecular Crystal Actuator”, Jiawei Lin, Zhenxiao Guo, Keke Zhang, Pei Zhao, Songgu Wu, Jun Xu, Junbo Gong, Ying Bao,  Advanced Functional Materials (2022): 2203004

Playing with Isostructurality from Binary Cocrystals to Ternary Cocrystal Solvates of Quercetin: Tuning Colors of Pigment”, Zhonghua Li, Jianmin Zhou, Kexuan Zhang, Yinan Zhang, Songgu Wu, and Junbo Gong, Cryst. Growth Des. 2022, 22, 9, 5322–5334

Uncovering the Morphological Regulation Mechanism of Low Sensitivity and Highly Energetic Materials in Solvents: Changing Crystal Morphology Induced by Hydrogen Bonding”, Ying Wang et al, Cryst. Growth Des. 2022, 22, 10, 5935–5946

Computational Screening and Experimental Validation on Multicomponent Crystals of a New Class of Janus Kinase (JAK) Inhibitor Drug with Improved Solubility”, Yujiang Xie et al, Crystals 2022, 12(12), 1722

Multiple Mechanical Behaviors in One Crystal of 2, 4-Dichlorophenoxyacetic Acid Form II: Thermomechanical Effect and Elastic Deformation”, Lan Fang et al, Cryst. Growth Des. 2022, 22, 6, 3680–3687

Research on mesoscale nucleation and growth processes in solution crystallization: A review”, Xiaowei Wang et al, Crystals 2022, 12(9), 1234

Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width”, Guangle Wang, Molecules 2022, 27(13), 4085

Constructing Janus Microsphere Membranes for Particulate Matter Filtration, Directional Water Vapor Transfer, and High‐Efficiency Broad‐Spectrum Sterilization”, Tong Deng, Yifu Chen, Yanbo Liu, Zeren Shang, Junbo Gong, Small (2022): 2205010

Advances of Combinative Nanocrystal Preparation Technology for Improving the Insoluble Drug Solubility and Bioavailability”, Qiuyan Ran et al, Crystals 2022, 12(9), 1200

Spherical agglomeration of high melting point drugs in water at low temperature by developing a two-step oiling-out mechanism and the design strategy”, Yanbo Liu et al, Green Chem., 2022,24, 5779-5791

Four strategies towards customized rainbow/white light emission from a series of organic charge-transfer cocrystals and their heterostructures”, Yifu Chen, Bo Jing, Jie Li and Junbo Gong, Mater. Chem. Front., 2022,6, 1874-1881

A Novel Strategy for Preparing the Superior Performance Solid Form of Energetic Materials Based on Rapid In-Situ Solvate-Mediated Phase Transformation Mechanism”, Ying Wang et al, SSRN 4249717

Combined virtual and experimental screening of multicomponent crystals of 2, 4-dichlorophenoxyacetic acid”, Jiulong Li et al, New J. Chem., 2022,46, 8708-8719

Facile synthesis of multiphase cobalt-iron spinel with enriched oxygen vacancies for bifunctional oxygen electrocatalyst”, Jianan Zhang, Luyu Ji, Junbo Gong and Zhao Wang, Phys. Chem. Chem. Phys., 2022,24, 13839-13847

What roles do alkali metal ions play in the pathological crystallization of uric acid?”, Mengya Li, Dandan Han and Junbo Gong, CrystEngComm, 2022,24, 3749-3761

Gallic acid ameliorates calcium oxalate crystal-induced renal injury via upregulation of Nrf2/HO-1 in the mouse model of stone formation”, Donghui Zhou et al, Phytomedicine 106, 2022, 154429

Natural inhibitors from earthworms for the crystallization of calcium oxalate monohydrate”, Xiang Kang, Si Li, Mengya Li, Jiahui Li, Dandan Han and Junbo Gong, CrystEngComm, 2022,24, 5597-5604

Prof. Junbo Gong and Prof. Tonglei Li
Kinetic Retraction at the Onset of Concomitant Crystallization and Implication on Polymorphic Formation”, Weiwei Tang, Junbo Gong, and Tonglei Li, Mol. Pharmaceutics 2022, 19, 7, 2676–2680

Dr. Kevin Girard

Process analytical technology (PAT): applications to flow processes for active pharmaceutical ingredient (API) development”, Courtney N. Talicska et al, React. Chem. Eng., 2022,7, 1419-1428

Prof. Kevin Roberts

“A Digital Mechanistic Workflow for Predicting Solvent-Mediated Crystal Morphology: The α and β Forms of L‑Glutamic Acid”, Thomas D. Turner et al, Cryst. Growth Des. 2022, 22, 3042−3059

Influence of a polymeric additive on the crystallisability and nucleation mechanism for the model fuel system of eicosane crystallising from supersaturated toluene solutions”, Peter L.Kaskiewicz et al, Journal

Prediction of the Mechanical Deformation Properties of Organic Crystals Based upon their Crystallographic Structures: Case Studies of Pentaerythritol and Pentaerythritol Tetranitrate”, S. Fatimah Ibrahim, Jonathan Pickering, Vasuki Ramachandran & Kevin J. Roberts, Pharm Res (2022)

Dr. Luca Iuzzolino

Dissolution behavior of weakly basic pharmaceuticals from amorphous dispersions stabilized by a poly (dimethylaminoethyl Methacrylate) copolymer”, Derek S. Frank, Prateek Prasad, Luca Iuzzolino, and Luke Schenck, Mol. Pharmaceutics 2022, 19, 9, 3304–3313

Dr. Luca Iuzzolino, Dr. Jessica Bruhn and Dr. Alfred Lee

From Powders to Single Crystals: A Crystallographer’s Toolbox for Small-Molecule Structure Determination”, Justin A. Newman, Luca Iuzzolino, Melissa Tan, Peter Orth, Jessica Bruhn, and Alfred Y. Lee, Mol. Pharmaceutics 2022, 19, 7, 2133–2141

Dr. Michal Achmatowicz

Developing an atroposelective dynamic kinetic resolution of MRTX1719 by resolving incompatible chemical operations”, Michal M. Achmatowicz, Cheng-yi Chen and David R. Snead, Chem. Commun., 2022, 58, 10365-10367

Simultaneous Processing of Antagonistic Chemical Events (SPACE): An Atroposelective Dynamic Kinetic Resolution of MRTX1719”, Michal Achmatowicz, Cheng-yi Chen, David Snead, ChemRxiv 2022

Dr. Nima Yazdanpanah

Continuous lactose recovery from acid whey by mixed suspension mixed product removal (MSMPR) crystallizer in the presence of impurities”, Christine Darmali, Shahnaz Mansouri, Nima Yazdanpanah, Zoltan K.Nagy, Meng W.Woo, Chemical Engineering and Processing, Volume 180, 2022, 108752

Strategy for Non-Seeded Crystallization of Slow-to-Crystallize Compounds with an Oscillatory Dynamic Baffled Crystallizer: A Case Study with α-Lactose Monohydrate”, Christine Darmali, Yiqing Claire Liu, Shahnaz Mansouri, Nima Yazdanpanah, Zoltan K. Nagy, and Meng W. Woo, Org. Process Res. Dev. 2022, 26, 8, 2364–2376

Dr. Shawn Yin

Using In Silico Tools To Map the Structural Landscape of Nitroxyl (HNO Donor) Compounds”, Bhupinder Sandhu et al, Cryst. Growth Des. 2022, 22, 7, 4105–4114

Prof. Raj Dave

Discrete element method simulation of binary blend mixing of cohesive particles in a high‐intensity vibration system”, Kai Zheng, Kuriakose Kunnath, Rajesh N. Davé, AIChE J. 2022; 68( 4):e17603

A concise treatise on model-based enhancements of cohesive powder properties via dry particle coating”, Rajesh Davé, Sangah Kim, Kuriakose Kunnath, Siddharth Tripathi, Advanced Powder Technology, 33, 11, 2022, 103836

Prof. Tonglei Li

Paclitaxel Drug Delivery Systems: Focus on Nanocrystals’ Surface Modifications”, Razan Haddad, Nasr Alrabadi, Bashar Altaani  and Tonglei Li, Polymers 2022, 14(4), 658

Biodistribution and non-linear gene expression of mRNA LNPs affected by delivery route and particle size”, Jiaxing Di, Zhili Du, Kangzeng Wu, Shanshan Jin, Xun Wang, Tonglei Li & Yuhong Xu, Pharmaceutical Research volume 39, pages105–114 (2022)

“>Conformational flexibility and substitution pattern lead to polymorphism of 3-methyl-2-(phenylamino) benzoic acid”, Yang Tao et al, CrystEngComm, 2022,24, 3217-3229

pH-dependent oiling-out during the polymorph transformation of disodium guanosine 5′-monophosphate”, Fengxia Zou et al, CrystEngComm, 2022,24, 1630-1637

Biological and intracellular fates of drug nanocrystals through different delivery routes: Recent development enabled by bioimaging and PK modeling”, Yongjiu Lv, Wei Wu, Clairissa D.Corpstein Tonglei Li, Yi Lu, Advanced Drug Delivery Reviews, 188, 2022, 114466

π-π Stacking in the Polymorphism of 2-(Naphthalenylamino)-nicotinic Acids and A Comparison with Their Analogues”, Yuping Li et al, CrystEngComm, 2023, Advance Article

Probing Molecular Packing of Drug Substances in Nanometer Domains in Pharmaceutical Formulations Using 19F Magic Angle Spinning NMR”, Pyae Phyo, Wei Xu, Derek Frank, Tonglei Li, and Yongchao Su, J. Phys. Chem. C 2022, 126, 29, 12025–12037

Effect of Homologation on the Polymorphism of Anthranilic Acids”, Yunping Zhoujin et al, Cryst. Growth Des. 2022, 22, 10, 6207–6214

Hydroxypropyl Beta Cyclodextrin as a Potential Surface Modifier for Paclitaxel Nanocrystals”, Razan Haddad, Nasr Alrabadi, Bashar Altaani, Majed Masadeh & Tonglei Li, AAPS PharmSciTech 23, 219 (2022)

Understanding Formulation and Temperature Effects on Dermal Transport Kinetics by IVPT and Multiphysics Simulation”, Paige N. Zambrana, Peng Hou, Dana C. Hammell, Tonglei Li & Audra L. Stinchcomb, Pharmaceutical Research volume 39, pages893–905 (2022)

Dr. Yuriy Abramov

Emerging Landscape of Computational Modeling in Pharmaceutical Development”, Yuriy A. Abramov, Guangxu Sun, and Qun Zeng, J. Chem. Inf. Model. 2022, 62, 5, 1160–1171

Dr. Yuriy Abramov and Dr. Jian wang

Novel Computational Approach to Guide Impurities Rejection by Crystallization: A Case Study of MRTX849 Impurities” Yuriy A. Abramov, Amanuel Zelellow, Cheng-yi Chen, Jian Wang, and Sivakumar Sekharan, Cryst. Growth Des. 2022, 22, 12, 6844–6848

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