Data-smart machine learning methods for predicting composition-dependent Young's modulus of pharmaceutical compacts.

Abstract:

:The ability to predict mechanical properties of compacted powder blends of Active Pharmaceutical Ingredients (API) and excipients solely from component properties can reduce the amount of 'trial-and-error' involved in formulation design. Machine Learning (ML) can reduce model development time and effort with the imperative of adequate historical data. This work describes the utility of linear and nonlinear ML models for predicting Young's modulus (YM) of directly compressed blends of known excipients and unknown API mixed at arbitrary compositions given only the true density of the API. The models were trained with data from compacts of three BCS Class I APIs and two excipients blended at four drug loadings, three excipient compositions, and compacted to five nominal solid fractions. The prediction accuracy of the models was measured using three cross-validation (CV) schemes. Finally, we demonstrate an application of the model to enable Quality-by-Design in formulation design. Limitations of the models and future work have also been discussed.

journal_name

Int J Pharm

authors

Thomas S,Palahnuk H,Amini H,Akseli I

doi

10.1016/j.ijpharm.2020.120049

subject

Has Abstract

pub_date

2021-01-05 00:00:00

pages

120049

eissn

0378-5173

issn

1873-3476

pii

S0378-5173(20)31034-6

journal_volume

592

pub_type

杂志文章
  • Composite scaffold obtained by electro-hydrodynamic technique for infection prevention and treatment in bone repair.

    abstract::Bone infection is a devastating condition resulting from implant or orthopaedic surgery. Therapeutic strategies are extremely complicated and may result in serious side effects or disabilities. The development of enhanced 3D scaffolds, able to promote efficient bone regeneration, combined with targeted antibiotic rele...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2018.12.002

    authors: Aragón J,Feoli S,Irusta S,Mendoza G

    更新日期:2019-02-25 00:00:00

  • Elaborations on the Higuchi model for drug delivery.

    abstract::The Higuchi model for the rate of drug release from matrix devices where the drug loading exceeds the solubility in the matrix medium, whose 50-year anniversary is celebrated in this issue, has proven to be a robust framework and an invaluable tool in developing a significant part of the modern controlled drug deliver...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2010.10.037

    authors: Paul DR

    更新日期:2011-10-10 00:00:00

  • Non-viral gene delivery carrier and its three-dimensional transfection system.

    abstract::An increasing number of non-viral vectors are being developed for the use of gene delivery nowadays, among which cationic polymers and lipoplexes receive most attention. Most of these researches are focused on how to increase the transfection efficiency of non-viral vectors as well as the reduction of toxicity. In thi...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章,评审

    doi:10.1016/j.ijpharm.2009.11.006

    authors: He CX,Tabata Y,Gao JQ

    更新日期:2010-02-15 00:00:00

  • Systemically administered gp100 encoding DNA vaccine for melanoma using water-in-oil-in-water multiple emulsion delivery systems.

    abstract::The purpose of this study was to develop a water-in-oil-in-water (W/O/W) multiple emulsions-based vaccine delivery system for plasmid DNA encoding the gp100 peptide antigen for melanoma immunotherapy. The gp100 encoding plasmid DNA was encapsulated in the inner-most aqueous phase of squalane oil containing W/O/W multi...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2013.05.028

    authors: Kalariya M,Amiji MM

    更新日期:2013-09-10 00:00:00

  • Preparation and investigation of core-shell nanoparticles containing human interferon-α.

    abstract::Sustained release of active interferon-α (IFN-α) has been achieved from core-shell nanoparticles (NPs) prepared by aqueous precipitation of IFN-α-enriched human serum albumin (HSA-IFN-α) and layer-by-layer (L-b-L) by coating of the IFN-α NPs with poly(sodium-4-styrene) sulphonate (PSS) and chitosan (Chit). The concent...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2019.118825

    authors: Kristó K,Szekeres M,Makai Z,Márki Á,Kelemen A,Bali L,Pallai Z,Dékány I,Csóka I

    更新日期:2020-01-05 00:00:00

  • Preparation, characterization, and optimization of asenapine maleate mucoadhesive nanoemulsion using Box-Behnken design: In vitro and in vivo studies for brain targeting.

    abstract::The tight junctions between capillary endothelial cells of the blood-brain barrier (BBB) restricts the entry of therapeutics into the brain. Potential of the intranasal delivery tool has been explored in administering the therapeutics directly to the brain, thus bypassing BBB. The objective of this study was to develo...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2020.119499

    authors: Kumbhar SA,Kokare CR,Shrivastava B,Gorain B,Choudhury H

    更新日期:2020-08-30 00:00:00

  • A new nanovesicular system for nasal drug administration.

    abstract::The goal of this work was to study the characteristics of a new phospholipid nanovesicular carrier for nasal administration of drugs. Multilamellar vesicles were visualized by electron microscopy, and their mean distribution size of 200 nm was evaluated by DLS. Measured pH and viscosity values were found adequate for ...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2020.119243

    authors: Touitou E,Duchi S,Natsheh H

    更新日期:2020-04-30 00:00:00

  • Thermal insight of mechanically activated bile acid powders.

    abstract::Mechanical activation of pharmaceutical materials presents an important but poorly understood phenomenon of milled molecular crystals. In this work, a strategy was followed in an effort to understand this phenomenon, cryo-milled of both crystalline and amorphous counterpart of bile acids materials were characterized b...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2011.08.022

    authors: Ito T,Byrn S,Chen X,Carvajal MT

    更新日期:2011-11-25 00:00:00

  • Continuous monitoring of API content, API distribution and crushing strength after tableting via near-infrared chemical imaging.

    abstract::Near-infrared chemical imaging (NIR-CI) with high-speed cameras based on the push-broom acquisition principle is a rapidly-evolving and can be used for a variety of purposes, from classification (and sorting) of products to mapping spatial distribution of materials. The present study examined if NIR-CI is suitable for...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2016.12.003

    authors: Wahl PR,Pucher I,Scheibelhofer O,Kerschhaggl M,Sacher S,Khinast JG

    更新日期:2017-02-25 00:00:00

  • Cell uptake, cytoplasmic diffusion and nuclear access of a 6.5 nm diameter dendrimer.

    abstract::Macromolecular crowding and the presence of organelles in the cytosol present barriers to particle mobility, such that it is unclear how nano-carriers can deliver their active agents to the nucleus. In this work a sixth generation amino terminated polyamide polylysine dendrimer (Gly-Lys(63) (NH(2))(64)) (MW 8149, diam...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2006.12.012

    authors: Ruenraroengsak P,Al-Jamal KT,Hartell N,Braeckmans K,De Smedt SC,Florence AT

    更新日期:2007-03-01 00:00:00

  • Preparation, formula optimization and antitumor actions of mannitol coupling camptothecin nanoparticles.

    abstract::The purpose of this work is to prepare a formulation using mannitol coupling Camptothecin (CPT) nanoparticles (CPT-NPs) to circumvent the difficult solubilization practice based on central composite experimental statistical design. CPT-NPs were prepared with a high-pressure homogenization technique method. The indepen...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2014.02.019

    authors: Wang Z,Li Q,Zhao X,Sun B,Zhu Q,Gao W,Hua C

    更新日期:2014-04-25 00:00:00

  • Process and formulation characterizations of the thermal adhesion granulation (TAG) process for improving granular properties.

    abstract::In this study, we demonstrate the feasibility of using the thermal adhesion granulation (TAG) method to improve granular properties for preparing highly compressible excipients as direct tabletting aids. The TAG method subjects a mixture containing excipients, such as microcrystalline cellulose (MCC), lactose, starch,...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2008.02.002

    authors: Lin HL,Ho HO,Chen CC,Yeh TS,Sheu MT

    更新日期:2008-06-05 00:00:00

  • Silicon microfluidic flow focusing devices for the production of size-controlled PLGA based drug loaded microparticles.

    abstract::The increasing realisation of the impact of size and surface properties on the bio-distribution of drug loaded colloidal particles has driven the application of micro fabrication technologies for the precise engineering of drug loaded microparticles. This paper demonstrates an alternative approach for producing size c...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2014.03.051

    authors: Keohane K,Brennan D,Galvin P,Griffin BT

    更新日期:2014-06-05 00:00:00

  • Passive asymmetric transport of hesperetin across isolated rabbit cornea.

    abstract::Hesperetin, an aglycone of the flavanone hesperidin, is a potential candidate for the treatment of diabetic retinopathy and macular edema. The purpose of this investigation was to determine solubility, stability and in vitro permeability characteristics of hesperetin across excised rabbit corneas. Aqueous and pH depen...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2010.04.036

    authors: Srirangam R,Majumdar S

    更新日期:2010-07-15 00:00:00

  • Permeation of several drugs through keratinized epithelial-free membrane of hamster cheek pouch.

    abstract::The hamster cheek pouch mucosa was selected as a substitute for the human buccal mucosa in an in vitro permeation study. Considering that a keratinized layer is not present in the human buccal mucosa, keratinized epithelial-free hamster cheek pouch (KEF-membrane) was prepared by chemical splitting. To confirm the usef...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/s0378-5173(98)00329-9

    authors: Tsutsumi K,Obata Y,Takayama K,Isowa K,Nagai T

    更新日期:1999-01-15 00:00:00

  • A preliminary study for the development and optimization by experimental design of an in vitro method for prediction of drug buccal absorption.

    abstract::The work was aimed at developing an in vitro method able to provide rapid and reliable evaluation of drug absorption through buccal mucosa. Absorption simulator apparatus endowed with an artificial membrane was purposely developed by experimental design. The apparent permeation coefficient (Papp) through excised porci...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2018.06.032

    authors: Mura P,Orlandini S,Cirri M,Maestrelli F,Mennini N,Casella G,Furlanetto S

    更新日期:2018-08-25 00:00:00

  • Development of novel diolein-niosomes for cutaneous delivery of tretinoin: influence of formulation and in vitro assessment.

    abstract:UNLABELLED:This work describes innovative niosomes, composed of diolein alone or in association with the hydrophilic penetration enhancer Labrasol(®), as carriers for cutaneous drug delivery. The model drug was tretinoin and conventional, and Labrasol(®) containing liposomes was used as controls to evaluate the influen...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2014.10.031

    authors: Manca ML,Manconi M,Nacher A,Carbone C,Valenti D,Maccioni AM,Sinico C,Fadda AM

    更新日期:2014-12-30 00:00:00

  • Electrospun nanofiber-based cancer sensors: A review.

    abstract::Cancer is a malignancy engendering enormous global mortality, steering extensive research for early diagnosis and efficacious prognosis leading to emergence of cancer sensing technologies for multitudinous biomarkers. In this context, nanofibers, imparting high surface area, facile production, morphology control, and ...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章,评审

    doi:10.1016/j.ijpharm.2020.119364

    authors: Mane PP,Ambekar RS,Kandasubramanian B

    更新日期:2020-06-15 00:00:00

  • In vitro and in silico characterization of fibrous scaffolds comprising alternate colistin sulfate-loaded and heat-treated polyvinyl alcohol nanofibrous sheets.

    abstract::A multilayer mat for dispensing colistin sulfate through a body surface was prepared by electrospinning. The fabricated system comprised various polyvinyl alcohol fibrous layers prepared with or without the active ingredient. One of the electrospun layers contained water-soluble colistin sulfate and the other was prep...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2017.03.044

    authors: Sebe I,Ostorházi E,Bodai Z,Eke Z,Szakács J,Kovács NK,Zelkó R

    更新日期:2017-05-15 00:00:00

  • Pluripotent stem cells as new drugs? The example of Parkinson's disease.

    abstract::Cell replacement therapy is a widely discussed novel concept of medical treatment. The increased knowledge in the stem cell field, particularly pluripotent stem cells, potentially provides powerful tools for this therapeutic concept. A large number of disease characterized by the loss of functional cells are potential...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章,评审

    doi:10.1016/j.ijpharm.2009.03.003

    authors: Preynat-Seauve O,Burkhard PR,Villard J,Zingg W,Ginovart N,Feki A,Dubois-Dauphin M,Hurst SA,Mauron A,Jaconi M,Krause KH

    更新日期:2009-11-03 00:00:00

  • Development of co-solvent freeze-drying method for the encapsulation of water-insoluble thiostrepton in sterically stabilized micelles.

    abstract::The purpose of this work was to develop a practical and scalable method to encapsulate the hydrophobic antibiotic thiostrepton (TST) in sterically stabilized micelles (SSM). Using the conventional method of thin-film hydration, we encapsulated up to 5 drug molecules per SSM (diameter ∼ 16 nm). However, since this meth...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2018.12.001

    authors: Esparza K,Onyuksel H

    更新日期:2019-02-10 00:00:00

  • A micelle-like structure of poloxamer-methotrexate conjugates as nanocarrier for methotrexate delivery.

    abstract::The purpose of this study was to develop a novel featured and flexible methotrexate (MTX) formulation, in which MTX was physically entrapped and chemically conjugated in the same drug delivery system. A series of poloxamer-MTX (p-MTX) conjugates was synthesized, wherein MTX was grafted to poloxamer through an ester bo...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2015.04.014

    authors: Ren J,Fang Z,Yao L,Dahmani FZ,Yin L,Zhou J,Yao J

    更新日期:2015-06-20 00:00:00

  • The influence of formulation variables on in vitro transfection efficiency and physicochemical properties of chitosan-based polyplexes.

    abstract::The aim of this study was to investigate how a selection of formulation variables affects the in vitro transfection efficiency and physicochemical properties (particle size, zetapotential and chitosan-plasmid association) of chitosan-based polyplexes. Experimental designs in combination with multivariate data analysis...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/s0378-5173(03)00301-6

    authors: Romøren K,Pedersen S,Smistad G,Evensen Ø,Thu BJ

    更新日期:2003-08-11 00:00:00

  • Development and evaluation of a tampering resistant transdermal fentanyl patch.

    abstract::With the increasing number of misuse and abuse of opioids, the resistance to tampering becomes an important attribute for transdermal opioid patches. In this study, drug-containing geopolymer granules were integrated into an adhesive matrix to improve the resistance of fast drug release against some common abuse techn...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2015.04.061

    authors: Cai B,Engqvist H,Bredenberg S

    更新日期:2015-07-05 00:00:00

  • Lipoprotein imitating nanoparticles: Lecithin coating binds ApoE and mediates non-lysosomal uptake leading to transcytosis over the blood-brain barrier.

    abstract::Lipoproteins are naturally occurring nano sized transport vehicles in the human body. Therefore, lipoproteins could be applied as a drug carrier system. Additionally, several reports of apolipoprotein mediated blood-brain barrier (BBB) crossing suggest lipoprotein mimicking nanoparticles (NPs) as possible drug deliver...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2020.119821

    authors: Wünsch A,Mulac D,Langer K

    更新日期:2020-08-28 00:00:00

  • Acid-base interactions in amorphous solid dispersions of lumefantrine prepared by spray-drying and hot-melt extrusion using X-ray photoelectron spectroscopy.

    abstract::This study investigates drug-excipient interactions in amorphous solid dispersions (ASDs) of the model basic compound lumefantrine (LMN), with five acidic polymers. X-ray photoelectron spectroscopy (XPS) was used to measure the extent of the protonation of the tertiary amine in LMN by the five acidic polymers. The ext...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2016.06.126

    authors: Song Y,Zemlyanov D,Chen X,Su Z,Nie H,Lubach JW,Smith D,Byrn S,Pinal R

    更新日期:2016-12-05 00:00:00

  • Optimisation of glutathione conjugation to liposomes quantified with a validated HPLC assay.

    abstract::Glutathione (GSH) grafted onto nanoliposomes (GSH-liposomes) have the potential to enhance drug delivery into the brain. GSH is known to be an unstable tripeptide, however, despite widespread use to promote active transport its stability has been largely ignored to date. Therefore this study focuses on the optimisatio...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2019.118451

    authors: Reginald-Opara JN,Svirskis D,O'Carroll SJ,Sreebhavan S,Dean JM,Wu Z

    更新日期:2019-08-15 00:00:00

  • Investigation of properties and recrystallisation behaviour of amorphous indomethacin samples prepared by different methods.

    abstract::The aim of this study was to investigate if amorphous indomethacin samples, prepared using different preparation methods, exhibit different structural and kinetic characteristics and if these differences can be correlated to their physical stability (time to crystallisation). Samples were prepared by melt quenching, s...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2010.12.019

    authors: Karmwar P,Graeser K,Gordon KC,Strachan CJ,Rades T

    更新日期:2011-09-30 00:00:00

  • In vitro and in vivo evaluation of a melamine dendrimer as a vehicle for drug delivery.

    abstract::Cell-based and acute and subchronic in vivo toxicity profiles of a dendrimer based on melamine reveal that this class of molecules warrants additional study as vehicles for drug delivery. In cell culture, a substantial decrease in viability was observed at 0.1 mg/mL. For the acute studies, mice were administered 2.5, ...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章,评审

    doi:10.1016/j.ijpharm.2004.04.023

    authors: Neerman MF,Zhang W,Parrish AR,Simanek EE

    更新日期:2004-08-20 00:00:00

  • Mechanical particle coating using ethylcellulose nanoparticle agglomerates for preparing controlled release fine particles; effect of coating temperature on coating performance.

    abstract::This study describes the effect of coating temperature on the performance of mechanical particle coating using ethylcellulose, which was done to produce controlled-release particles (diameters less than 100 μm) with different release rates. First, theophylline crystals were spheronized using a mechanical powder proces...

    journal_title:International journal of pharmaceutics

    pub_type: 杂志文章

    doi:10.1016/j.ijpharm.2018.11.061

    authors: Kondo K,Ando C,Niwa T

    更新日期:2019-01-10 00:00:00