DFT investigation of the solid-state properties and Hirshfeld surface analysis of antidiabetic drugs: Acetohexamide and Tolazamide

Novel two-dimensional Janus YMN (M= I, Br and N= Cl, Br) monolayers

(2023) C. Tayran et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Experimental Raman, FTIR and UV-Vis Spectra, DFT Studies of Molecular Structures and Barrier Heights, Thermodynamic Functions and Bioactivity of Kaempferol

(2022) Bhoopendra Yadav et al.   JOURNAL OF MOLECULAR STRUCTURE

Crystal Engineering of Pharmaceutical Cocrystals in the Discovery and Development of Improved Drugs

(2022) Geetha Bolla et al.   CHEMICAL REVIEWS

Management of Hyperglycemia in Type 2 Diabetes, 2022. A Consensus Report by the American Diabetes Association (ADA) and the European Association for the Study of Diabetes (EASD)

(2022) Melanie J. Davies et al.   DIABETES CARE

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

(2021) Peter R. Spackman et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

First-principles study of solid-state properties of adrenergic neurotransmitters, orthorhombic noradrenaline, and monoclinic adrenaline

(2021) R. L. Araújo et al.   JOURNAL OF APPLIED PHYSICS

Engineering the hydrogen storage properties of the perovskite hydride ZrNiH3 by uniaxial/biaxial strain

(2021) M. Rkhis et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Structural, spectroscopic, physical properties and quantum chemical investigation on bromide salt of 4-dimethylaminopyridine NLO material for optoelectronic applications

(2020) G. Sivaraj et al.   JOURNAL OF MOLECULAR STRUCTURE

Insights into solid-state properties of dopamine and L-Dopa hydrochloride crystals through DFT calculations

(2020) R.L. Araújo et al.   CHEMICAL PHYSICS LETTERS

Single Crystal X-Ray Structural Analysis of Two Polymorphs of Ethyl 2-(2-Chlorophenyl)-4-Hydroxy-5-Oxo-1-Phenyl-2,5-Dihydro-1H-Pyrrole-3-Carboxylate

(2019) A. Ramazani et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study

(2019) Alexey Yu. Fedorov et al.   Acta Crystallographica Section C-Structural Chemistry

The comorbidity burden of type 2 diabetes mellitus: patterns, clusters and predictions from a large English primary care cohort

(2019) Magdalena Nowakowska et al.   BMC Medicine

Qualitative as well as quantitative analysis of interactions present in chlorine and bromine substituted aromatic organic crystals: A DFT linked Crystal Explorer study

(2019) Mayank Khera et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Thermoelectric properties of InN graphene-like nanosheet: A first principle study

(2019) M. Yeganeh et al.   SUPERLATTICES AND MICROSTRUCTURES

DFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystals

(2019) Roniel L. Araújo et al.   Computational and Theoretical Chemistry

Core–Shell Microneedle Gel for Self-Regulated Insulin Delivery

(2018) Jinqiang Wang et al.   ACS Nano

Structural, elastic, electronic, phonon, dielectric and optical properties of Bi 3 TeBO 9 from first-principles calculations

(2018) Mi Zhong et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Electronic and optical properties of V doped AlN nanosheet: DFT calculations

(2018) Sahar Javaheri et al.   CHINESE JOURNAL OF PHYSICS

Microstructure, fractal geometry and dye-sensitized solar cells performance of CdS/TiO2 nanostructures

(2018) Tahereh Hoseinzadeh et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Molecular Adducts of Isoniazid: Crystal Structure, Electronic Properties, and Hirshfeld Surface Analysis

(2018) A. S. Kamalakaran   JOURNAL OF STRUCTURAL CHEMISTRY

Synthesis of multiwalled carbon nanotubes on Cu-Fe nano-catalyst substrate

(2017) Sahar Rezaee et al.   Results in Physics

A new polymorph of metacetamol

(2015) Lindsay McGregor et al.   CRYSTENGCOMM

Theoretical and experimental investigations on vibrational and structural properties of tolazamide

(2015) Mustafa Karakaya et al.   JOURNAL OF MOLECULAR STRUCTURE

Sulfonylureas: A New Look at Old Therapy

(2014) Peter M. Thulé et al.   Current Diabetes Reports

Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenidesMoS2,MoSe2,WS2, andWSe2

(2014) Jiangang He et al.   PHYSICAL REVIEW B

Conformational Polymorphism

(2013) Aurora J. Cruz-Cabeza et al.   CHEMICAL REVIEWS

Hyperglycemia-induced Oxidative Stress and its Role in Diabetes Mellitus Related Cardiovascular Diseases

(2013) Teresa Fiorentino et al.   CURRENT PHARMACEUTICAL DESIGN

Crystallization of a new polymorph of acetohexamide from 2-hydroxybutyl-β-cyclodextrin solution: Form VI with a high aqueous solubility

(2013) Hibah Aldawsari et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Cell signalling in insulin secretion: the molecular targets of ATP, cAMP and sulfonylurea

(2012) S. Seino   DIABETOLOGIA

Conformational polymorphism of the antidiabetic drug chlorpropamide

(2011) A. P. Ayala et al.   JOURNAL OF RAMAN SPECTROSCOPY

Theoretical studies on the structural, electronic, and optical properties of Cu2CdGeSe4

(2011) Dan Li et al.   PHYSICA B-CONDENSED MATTER

Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-Methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: A combined experimental and theoretical analysis

(2011) Abdullah Mohamed Asiri et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Conformational Polymorphism in Sulfonylurea Drugs: Electronic Structure Analysis

(2010) Yoganjaneyulu Kasetti et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Spectroscopic investigations and quantum chemical computational study of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol

(2010) Basak Kosar et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

The Effect of Sulphonylureas on the Microvascular and Macrovascular Complications of Diabetes

(2008) Partha Kar et al.   CARDIOVASCULAR DRUGS AND THERAPY

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM

Theoretical study of molecular structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some hypoglycemic agents

(2008) Milan Remko   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Gene therapy for type 1 diabetes mellitus in rats by gastrointestinal administration of chitosan nanoparticles containing human insulin gene

(2008) Li Niu et al.   WORLD JOURNAL OF GASTROENTEROLOGY