☆ 4.7 Article

Solvent Effect on Molecular Conformational Evolution and Polymorphic Manipulation of Cimetidine

CRYSTAL GROWTH & DESIGN (2023)

Related references

Note: Only part of the references are listed.

Article Chemistry, Multidisciplinary

Reversible Supramolecular Polymorphism in Solution and Solid Matrix by Manipulating Sidegroup Conformation

Saptarshi Datta et al.

Summary: This study presents a perylene bisimide molecule with a trans-azobenzene sidegroup that can assemble into three distinct supramolecular polymorphs in both solution and solid state. The results reveal the significance of hydrogen-bonding interaction between protic solvent and azo N in controlling the formation and switching of polymorphs.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Polymorphism and distinct physicochemical properties of the phloretin-nicotinamide cocrystal

Srinivasulu Aitipamula et al.

Summary: The emergence of cocrystals as alternative solid forms for novel drug product development highlights the importance of polymorphism studies in cocrystals. Two novel polymorphs of a cocrystal involving an anti-inflammatory and antioxidative active ingredient, phloretin (PHL), and a pharmaceutically acceptable coformer, nicotinamide (NA), were structurally characterized. The study of these polymorphs and their phase transformations revealed the impact of polymorphism on the physicochemical properties of cocrystals, with Form I being the most stable under ambient conditions.

CRYSTENGCOMM (2022)

Add to Collection

Article Pharmacology & Pharmacy

Recent advances in drug polymorphs: Aspects of pharmaceutical properties and selective crystallization

Qin Shi et al.

Summary: This paper provides an overview of recent advances in the research on polymorphic drug systems including understandings on nucleation, crystal growth, dissolution, mechanical properties, polymorphic transformation. It also highlights new strategies and mechanisms in the control of polymorphic forms, and briefly discusses challenges and trends in the development of polymorphic drugs, aiming at developing effective and efficient pharmaceutical formulations containing the polymorphic drugs.

INTERNATIONAL JOURNAL OF PHARMACEUTICS (2022)

Add to Collection

Article Chemistry, Physical

Revealing the Molecular Mechanism of Cosolvency Based on Thermodynamic Phase Diagram, Molecular Simulation, and Spectrum Analysis: The Tolbutamide Case

Xin Li et al.

Summary: The effects of molecular conformation, supramolecular clusters, and interactions on cosolvency were systematically investigated using tolbutamide as a model compound. The results showed that the solute molecular conformations and supramolecular clusters change under the influence of intermolecular and intramolecular interactions, leading to cosolvency phenomena.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Selective Nucleation of Polymorphs Induced by Multiple Conformations and Self-Association

Chunhao Liu et al.

Summary: The cooling crystallization behavior of flexible molecule chlorpropamide in four solvent systems was studied to understand the relationship between solution chemistry and polymorphic nucleation. The presence of dimers and solvated monomers in the solution was confirmed using online ATR-FTIR spectra. Molecular dynamics simulations and 2D nuclear overhauser effect spectroscopy revealed the molecular preassembled species in the solution. The self-association mode and conformational distribution of chlorpropamide in the solution were found to influence the nucleation process and polymorphic outcome.

CRYSTAL GROWTH & DESIGN (2022)

Add to Collection

Article Chemistry, Physical

Chitosan hydrogel for controlled crystallization of loaded drug: Role of interplay of assembly processes

Shiyuan Liu et al.

Summary: This study demonstrates the use of modified chitosan hydrogel as a template to control the polymorphism of a drug through competitive crystallization and gelation mechanisms. The results offer a promising approach for the design of drug delivery systems.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2022)

Add to Collection

Article Chemistry, Physical

Solubility, dissolution properties and molecular dynamic simulation of 2,6-bis(picrylamino)-3,5-dinitropyridine in pure and binary solvents

Hao Wu et al.

Summary: This study investigated the solubility and thermodynamic properties of the heat-resistant explosive PYX in organic solvents using thermodynamic analysis and molecular simulation. The solubility of PYX was found to have a positive correlation with temperature and solvent composition, except for a cosolvency phenomenon observed in the (DMSO + ethyl acetate) mixture. The dissolution thermodynamic properties, including Gibbs energy, enthalpy, and entropy, were calculated and analyzed, revealing that the dissolution process of PYX is spontaneous.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Add to Collection

Article Pharmacology & Pharmacy

Modulation of the powder properties of lamotrigine by crystal forms

Oisin N. Kavanagh et al.

Summary: This study investigates the powder and tableting properties of various lamotrigine (LAM) solid forms, revealing that the drug-drug crystals of LAM with nicotinamide and valproic acid exhibit superior flowability and tabletability, improving the overall powder properties for direct compression.

INTERNATIONAL JOURNAL OF PHARMACEUTICS (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Study on Structure, Stability, and Phase Transformation of Dufulin Polymorphs

Mengnan Li et al.

Summary: This study systematically investigated the polymorphism behavior of DFL, discovering seven crystalline forms with Form I being the most stable and having the lowest solubility under ambient conditions. This fills a gap in the crystal engineering field for DFL and provides new insights for formulation development.

CRYSTAL GROWTH & DESIGN (2021)

Add to Collection

Article Chemistry, Multidisciplinary

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis o molecular crystals

Peter R. Spackman et al.

Summary: CrystalExplorer is a native cross-platform program that supports visualization and investigation of molecular crystal structures, with enhanced capabilities for calculating intermolecular interactions and quantum-mechanical properties. The software, including the latest version CrystalExplorer21, is available for free download and academic research use.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Development and Structure Analysis of Crystal Forms of Apabetalone: Solvates and Polymorphs

Yu Liu et al.

Summary: In this study, five novel forms of apabetalone were obtained and characterized by various analytical techniques, providing information about molecular assembly and the role of solvent molecules within the lattice. The crystal structures of two new solvates and two reported polymorphs were solved for the first time, revealing the relationship between crystal structure and molecular conformations. Additionally, a novel solvent-free polymorph was obtained through desolvation of the dioxane solvates, indicating a feasible way to develop novel polymorphs.

CRYSTAL GROWTH & DESIGN (2021)

Add to Collection

Review Chemistry, Multidisciplinary

Molecular mechanism of crystal nucleation from solution

Xin Li et al.

Summary: This review discusses the theories of nucleation from solution, summarizes the molecular process of nucleation, and explores the relationship between molecular conformation in solution and crystal as well as the impact of solute molecular flexibility on nucleation.

SCIENCE CHINA-CHEMISTRY (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Understanding the Role of Water in Different Solid Forms of Avibactam Sodium and Its Affecting Mechanism

Zhiyong Ding et al.

CRYSTAL GROWTH & DESIGN (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Diverse Solvent Selection for Polymorph Landscape Investigation Based on Specific API-Solvent Interactions

Dabing Chen et al.

CRYSTAL GROWTH & DESIGN (2020)

Add to Collection

Article Chemistry, Physical

Chemical and biological studies on charge-transfer complexes of cimetidine with various electron acceptors

Said M. Teleb et al.

JOURNAL OF MOLECULAR STRUCTURE (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Molecular conformational evolution mechanism during nucleation of crystals in solution

Xin Li et al.

IUCRJ (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-aikanedicarboxylic acids

Peng Shi et al.

IUCRJ (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Is it usual to be unusual? An investigation into molecular conformations in organic crystals

Sarah E. Wright et al.

CRYSTENGCOMM (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Perspectives on the Current State, Challenges, and Opportunities in Pharmaceutical Crystallization Process Development

Aaron Cote et al.

CRYSTAL GROWTH & DESIGN (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Conformational Flexibility and Crystallization: The Case of Furosemide

Na Tang et al.

CRYSTAL GROWTH & DESIGN (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of p-nitrobenzoic acid

Shuyi Zong et al.

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS (2019)

Add to Collection

Article Multidisciplinary Sciences

Understanding hydrogen-bonding structures of molecular crystals via electron and NMR nanocrystallography

Candelaria Guzman-Afonso et al.

NATURE COMMUNICATIONS (2019)

Add to Collection

Article Chemistry, Physical

Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

Sajesh P. Thomas et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Add to Collection

Article Chemistry, Multidisciplinary

Insight into Solvent-Dependent Conformational Polymorph Selectivity: The Case of Undecanedioic Acid

Peng Shi et al.

CRYSTAL GROWTH & DESIGN (2018)

Add to Collection

Article Biochemistry & Molecular Biology

COMPASS II: extended coverage for polymer and drug-like molecule databases

Huai Sun et al.

JOURNAL OF MOLECULAR MODELING (2016)

Add to Collection

Article Chemistry, Multidisciplinary

Understanding the Solid-State Phase Transitions of DL-Norleucine: An in Situ DSC, Microscopy, and Solid-State NMR Study

M. M. H. Smets et al.

CRYSTAL GROWTH & DESIGN (2015)

Add to Collection

Article Chemistry, Multidisciplinary

Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl) Succinimide Molecular Rotors

Ping Li et al.

CRYSTAL GROWTH & DESIGN (2015)

Add to Collection

Article Chemistry, Multidisciplinary

Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid

W. Du et al.

CHEMICAL SCIENCE (2015)

Add to Collection

Article Chemistry, Multidisciplinary

Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape

Doris E. Braun et al.

CRYSTAL GROWTH & DESIGN (2014)

Add to Collection

Article Chemistry, Analytical

A dynamic thermal ATR-FTIR/chemometric approach to the analysis of polymorphic interconversions. Cimetidine as a model drug

Natalia L. Calvo et al.

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2014)

Add to Collection

Review Chemistry, Multidisciplinary

Nucleation of Organic CrystalsA Molecular Perspective

Roger J. Davey et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Add to Collection

Article Chemistry, Multidisciplinary

Molecular Conformation and Crystallization: The Case of Ethenzamide

Kevin R. Back et al.

CRYSTAL GROWTH & DESIGN (2012)

Add to Collection

Article Biochemical Research Methods

Structure validation in chemical crystallography

Anthony L. Spek

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2009)

Add to Collection

Software Review Chemistry, Multidisciplinary

OLEX2: a complete structure solution, refinement and analysis program

Oleg V. Dolomanov et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2009)

Add to Collection

Review Chemistry, Physical

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Aleksandr V. Marenich et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Add to Collection

Article Chemistry, Applied

Crystallization and polymorphism of conformationally flexible molecules: Problems, patterns, and strategies

L Yu et al.

ORGANIC PROCESS RESEARCH & DEVELOPMENT (2000)

Add to Collection

© Peeref 2019-2024. All rights reserved.