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Pharmaceutical Applications

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Pharmaceutical innovation targets new compounds. To determine their efficacy and manageability for mass production, specialized data on these compounds is essential. Existing literature lacks this information due to their novelty. Traditional experimental methods are time-consuming and costly. CC-DPS provides over 2,000 datasets for your novel candidate compounds. Below are some selected datasets. Pharmaceutical innovation targets new compounds. To determine their efficacy and manageability for mass production, specialized data on these compounds is essential. Existing literature lacks this information due to their novelty. Traditional experimental methods are time-consuming and costly. CC-DPS provides over 2,000 datasets for your novel candidate compounds. Below are some selected datasets. Pharmaceutical innovation targets new compounds. To determine their efficacy and manageability for mass production, specialized data on these compounds is essential. Existing literature lacks this information due to their novelty. Traditional experimental methods are time-consuming and costly. CC-DPS provides over 2,000 datasets for your novel candidate compounds. Below are some selected datasets.

  • Drug-Likeness
  • Heat (Enthalpy) of Vaporization
  • Heat Capacity
  • HOMO-LUMO
  • Infrared (IR) Spectroscopy
  • LogP (Octanol-Water Partition Coefficient)
  • LogS (Water Solubility)
  • Molecular Orbitals
  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Refractive index
  • Solubility Parameter
  • Thermal Conductivity
  • Vibrational Circular Dichroism (VCD)
  • Viscosity

Drug-Likeness

  • Usage

    Drug-Likeness is a concept that assesses the suitability of a compound as a drug. It evaluates the compound's physicochemical properties, biological activity, and pharmacological characteristics to determine its potential efficacy and safety in the body. This assessment is often guided by rules such as Lipinski's Rule of Five. It is primarily used in the early stages of drug development to screen potential candidate compounds. This evaluation helps save time and costs while increasing the success rate of drug development.

  • Case Studies

    Lara Alzyoud and her team from the College of Pharmacy, Al Ain University conducted research on druggability assessment of protein–protein interactions, published in the Scientific Reports. They utilized drug-likeness data to classify protein-protein interaction sites into four classes based on their druggability scores, aiding in the identification of potential PPI inhibitors.

    Imad Ahmad and his team from Abdul Wali Khan University investigated oxindole derivatives for drug-likeness and antioxidant activity, published in the Computational Biology and Chemistry. They used drug-likeness and ADMET studies to predict the oral absorption and safety profiles of oxindole derivatives, contributing to their potential as future therapeutic agents.

    Cem Yamali and his team from Cukurova University researched phenol-based heterocyclic compounds for drug development, published in the Pharmaceutical Chemistry Journal. They employed drug-likeness properties to evaluate the potential of synthesized compounds in medicinal chemistry applications.

  • Get This Data

    For any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As, drug-likeness is readily available at CC-DPS as one of our ‘Pharmaceutical Properties’. To access drug-likeness data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Heat (Enthalpy) of Vaporization

  • Usage

    The heat (enthalpy) of vaporization refers to the heat energy required for a liquid to transform into a gas, which is used to overcome the intermolecular forces within the substance. In the pharmaceutical field, it is utilized to assess the vapor pressure and volatility of drugs, aiding in the determination of drug stability, storage conditions, and absorption rates. It is crucial in the drying process to remove residual solvents or control the vapor pressure of inhalable drugs.

  • Case Studies

    Ming-Chi Wei and his team from National Taipei University of Business developed a novel green extraction technique for lavender oil, published in the Food and Bioproducts Processing. They used heat of vaporization data to compare the efficiency of various extraction methods, highlighting the superior performance of ultrasound-assisted supercritical CO2 extraction.

    Luis F. Salas-Guerrero and his team from Universidad Nacional de Colombia studied thermodynamic properties of cannabinoids, published in the Journal of Molecular Liquids. They employed vaporization enthalpy data to estimate the densities and vapor pressures of CBD and Δ9-THC, providing critical insights for optimizing purification processes in pharmaceutical applications.

    Máté Mihalovits from Budapest University of Technology and Economics explored temperature and pressure effects on hydrogen-bonding parameters, published in the Journal of Molecular Liquids. He utilized vaporization heat data to refine the hydrogen-bonding Hansen solubility parameter formula, enhancing the accuracy of solubility predictions for n-alkanols, which is vital for drug formulation.

  • Get This Data

    The heat (enthalpy) of vaporization is available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. This is one of our ‘Temperature-Dependent Properties’, providing 20 datasets within a temperature range defined by the user. To access heat (enthalpy) of vaporization data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Heat Capacity

  • Usage

    Heat capacity refers to the amount of heat required to raise the temperature of a substance by one degree. In the pharmaceutical field, it plays a crucial role in assessing the stability and manufacturing processes of drugs. For instance, the heat capacity of solid drugs is used to evaluate their physical and chemical stability under temperature changes. Heat capacity data is also used to minimize changes during the manufacturing of tablets or capsules, ensuring consistent quality. Furthermore, heat capacity is an essential parameter in determining the optimal storage conditions for pharmaceuticals.

  • Case Studies

    Marina Chachorovska and her team from Research and Development, Alkaloid AD, Skopje investigated the preformulation thermal analysis of BCS Class II APIs, published in the Journal of Thermal Analysis and Calorimetry. They utilized heat capacity data to evaluate the polymorphic stability and hygroscopicity of ezetimibe and lercanidipine HCl, demonstrating its importance in understanding the thermal behavior and stability of pharmaceutical compounds.

    Carter Blocka and his team from the University of Saskatchewan conducted a study on the thermal properties of pharmaceutical powders in manufacturing, published in the International Journal of Pharmaceutics. They used heat capacity data to optimize the drying processes in pharmaceutical manufacturing, highlighting its role in ensuring the quality and efficiency of drug production.

    Vojtěch Štejfa and his team from the University of Chemistry and Technology, Prague researched the thermodynamic properties of active pharmaceutical ingredients, published in the Journal of Thermal Analysis and Calorimetry. They employed heat capacity data to model the solubility and phase transitions of nifedipine, griseofulvin, probucol, and 5,5-diphenylhydantoin, showcasing the critical role of accurate thermal data in pharmaceutical applications.

  • Get This Data

    The heat capacity is available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. This is one of our ‘Temperature-Dependent Properties’, providing 20 datasets within a temperature range defined by the user. To access heat capacity data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

HOMO-LUMO

  • Usage

    HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) are crucial concepts for describing the electronic structure of molecules. In pharmaceutical design, analyzing HOMO and LUMO energies helps predict drug-target interactions and identify active sites. Additionally, it aids in evaluating the stability and reactivity of molecules, enhancing the efficacy and safety of potential drugs.

  • Case Studies

    Muhammad Irfan and his team from Government College University and the University of Agriculture in Faisalabad, explored the applications of triazole derivatives in NLO properties and drug design, published in the Scientific Reports. They utilized HOMO-LUMO data to investigate the geometrical parameters and electronic properties of novel triazole derivatives, highlighting their potential in drug discovery and nonlinear optical applications.

    S.K. Alghamdi and his team from Taibah University conducted research on spectral and electronic properties of benzamide derivatives, published in the Journal of Molecular Structure. They used HOMO-LUMO data to assess the antifungal activity and chemical reactivity of 4-bromo-N-(2-nitrophenyl) benzamide, demonstrating its significant potential for pharmaceutical applications.

    Dingbowen Wang and his team from Westlake University and Pennsylvania State University investigated controlled color and fluorescence through base duality, published in the Science Advances. They applied HOMO-LUMO data to understand the electronic transitions and spectroscopic properties of homophthalic anhydride, leading to advancements in anti-counterfeiting applications.

  • Get These Data and Images

    The HOMO-LUMO data are available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. This data is part of our ‘Quantum Chemical Information’, which is also available as a downloadable ‘Quantum Chemical Computation Result File (FCHK)’. The 3-dimensional images can be found under the ‘3D Visualization, Animation & Analysis’ section as well. To access HOMO-LUMO data and images for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Infrared (IR) Spectroscopy

  • Usage

    Infrared (IR) spectroscopy in the pharmaceutical field is used to identify and characterize chemical compounds based on their infrared absorption spectra. This technique helps in verifying the purity and composition of pharmaceutical substances. It can detect polymorphs and monitor the stability of drugs. IR spectroscopy is essential in quality control and ensuring compliance with regulatory standards. Its non-destructive nature makes it ideal for routine analysis in the pharmaceutical industry.

  • Case Studies

    Nathaniel Hendrick and his team from the Department of Chemistry at Boston University conducted research on high-throughput infrared spectroscopy for drug discovery, published in the Journal of Pharmaceutical and Biomedical Analysis. They used infrared spectroscopy data to measure peptide concentrations rapidly, significantly improving the identification and optimization of drug candidates.

    Alina Cherniienko and her team from Poznan University of Medical Sciences performed research on sustainable FTIR applications in pharmaceutical analysis, published in the Journal of Pharmaceutical Analysis. They utilized infrared spectroscopy data to monitor crystallization processes and regulate medication release patterns, aligning with green analytical principles to improve product quality and safety.

    Mingdi Liu and his team from Qinghai Minzu University investigated the quantification of amorphous forms in pharmaceutical mixtures using infrared spectroscopy, published in the Arabian Journal of Chemistry. They employed infrared spectroscopy data combined with chemometric methods to detect and control the content of amorphous APIs in drug production, ensuring higher quality and efficacy of pharmaceutical products.

  • Get These Data, Chart and Animations

    Quantum chemically computed infrared (IR) spectroscopy data, chart, and animations are available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. The spectral chart and associated dataset can be found under ‘Spectroscopic Analyses’ section, while vibrational animations related to IR spectroscopy are accessible under the ‘3D Visualization, Animation & Analysis’ section.

    These tools are powerful for molecular analysis, particularly valuable when experimental samples are limited or when spectra are complicated by overlapping bands. They provide insights that might be impossible to achieve through experimental means alone. To access IR spectroscopy data, chart, and vibrational animations for your desired compound, simply enter the compound on the CC-DPS compound entry page.

LogP (Octanol-Water Partition Coefficient)

  • Usage

    LogP (Octanol-Water Partition Coefficient) is an indicator of how a compound distributes itself between octanol and water. The LogP value measures the hydrophobicity and hydrophilicity of a compound, playing a crucial role in the absorption, distribution, metabolism, and excretion of drugs. Generally, a higher LogP value indicates greater hydrophobicity, while a lower value indicates higher hydrophilicity. This value is utilized in drug design to predict bioavailability and membrane permeability.

  • Case Studies

    Kareem Soliman and his team from the Institute for Nanophotonics Göttingen and Abberior GmbH conducted a study on enhancing permeability prediction of fluorescent probes using deep learning-based logP descriptors, published in the Scientific Reports. They utilized logP data to develop the DeepFL-LogP model, which accurately predicts cell membrane permeability for fluorescent probes, significantly streamlining the development process for novel fluorophores.

    Ana L. Coutinho and her team from the University of Maryland School of Pharmacy and the University of Florida assessed logP's impact on volume of distribution predictions for lipophilic drugs, published in the Pharmaceutical Research. They used logP data to evaluate human volume distribution at steady-state predictions, enhancing the accuracy of pharmacokinetic modeling for lipophilic drugs.

    Judith Warnau and her team from Dassault Systemes Deutschland GmbH explored COSMO-RS predictions of logP in drug discovery challenges, published in the Journal of Computer-Aided Molecular Design. They applied logP data to predict the partition coefficients for various small drug-like molecules, demonstrating the reliability and wide applicability of COSMO-RS in pharmaceutical research.

  • Get This Data

    For any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As, LogP is readily available at CC-DPS as one of our ‘Pharmaceutical Properties’. To access LogP data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

LogS (Water Solubility)

  • Usage

    LogS (Water Solubility) refers to the logarithm of a compound's solubility in water, indicating how well a drug dissolves. In pharmaceuticals, a higher LogS value often implies better absorption and bioavailability. Applications include drug formulation optimization and predicting pharmacokinetics. Improving LogS can enhance drug efficacy and reduce side effects.

  • Case Studies

    Aleksandr Denisenko and his team from Enamine Ltd developed saturated bioisosteres for drug solubility enhancement, published in the Nature Chemistry. They improved the water solubility of bioactive compounds by replacing the ortho-substituted phenyl ring with 2-oxabicyclo[2.1.1]hexanes, retaining bioactivity while reducing lipophilicity.

    Ameya R. Kirtane and his team from MIT developed oil-based gels for pediatric drug delivery, published in the Science Advances. They utilized water solubility data to formulate oleogels that can deliver drugs with varying solubilities, providing a versatile and stable drug delivery system for children.

    Cheng Zhou and his team from the National University of Singapore developed water-soluble probes for extracellular vesicle detection, published in the Science Advances. They created conjugated oligoelectrolytes with excellent water solubility to enhance the accuracy of extracellular vesicle detection in flow cytometry by minimizing background signals.

  • Get This Data

    For any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As, LogS is readily available at CC-DPS as one of our ‘Pharmaceutical Properties’. To access LogS data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Molecular Orbitals

  • Usage

    In the pharmaceutical field, molecular orbitals are used to understand the electronic structure and chemical reactivity of molecules. Specifically, the HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) of a drug molecule play crucial roles in predicting its reactivity and interactions. This information is utilized in the drug development process to design and optimize drug candidates. For example, it can help predict the binding affinity of a drug to the active site of a specific enzyme.

  • Case Studies

    T. Nirmala and her team from Aringar Anna Govt. Arts College, India conducted research on quantum computation and antitumor activity prediction, published in the Chemical Physics Impact. They utilized frontier molecular orbital data to analyze the stability and chemical reactivity of 1-[(4-Chlorophenyl) methyl]-1H-indole-3-carboxaldehyde, highlighting its potential as an anti-tumor agent.

    Takashi Ozaki and his team from the Department of Psychiatry, Hokkaido University, Japan explored the impact of antipsychotic drugs on EEG through frontier orbital theory, published in the Neuropsychopharmacology Reports. They used HOMO/LUMO energy calculations to evaluate the antioxidant/prooxidant effects of antipsychotic drugs on EEG abnormalities in schizophrenia patients.

    A. Kavi Bharathi and his team from the P.G. & Research Department of Physics, N.M.S.S.V.N. College, India conducted research on quantum chemical and molecular docking studies of a novel ovarian cancer drug, published in the Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. They employed frontier molecular orbitals data to analyze the bioactivity and drug-likeness properties of methyl 1-methyl-4-nitro-pyrrole-2-carboxylate, demonstrating its potential as a candidate for ovarian cancer treatment.

  • Get These Data and Images

    The molecular orbital data and images are available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. The data is part of our ‘Quantum Chemical Information’, which is also available as a downloadable ‘Quantum Chemical Computation Result File (FCHK)’. The 3-dimensional images can be found under the ‘3D Visualization, Animation & Analysis’ section as well. To access molecular orbital data and images for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Nuclear Magnetic Resonance (NMR) Spectroscopy

  • Usage

    NMR Spectroscopy is a non-invasive technique used in the pharmaceutical field for the analysis and identification of drug structures. It utilizes nuclear magnetic resonance to determine the chemical structure of molecules and is widely employed in the drug development process for molecule identification, purity testing, and interaction analysis. Specifically, it plays a crucial role in confirming the structure of new drug candidates and analyzing metabolic products. Consequently, it contributes to the evaluation of drug efficacy and safety.

  • Case Studies

    Abdul-Hamid Emwas and his team from King Abdullah University of Science and Technology researched the role of NMR spectroscopy in metabolomics studies, published in the Metabolomics Perspectives. They utilized NMR spectroscopy data to perform high-resolution monitoring of metabolic processes, showcasing its reproducibility and efficiency in biological system investigations.

    Christian Hilty and his team from Texas A&M University and the University of Vienna performed research on enhancing biomolecular NMR sensitivity using hyperpolarized water, published in the Nature Protocols. They applied NMR spectroscopy data to study the structural dynamics of proteins and nucleic acids in near-physiological conditions, highlighting the technique's ability to boost sensitivity and improve interaction kinetics analysis.

    Junhe Ma and his team from Bristol Myers Squibb Company and Vertex Pharmaceuticals conducted a study on NMR spectroscopy as a tool for biologics formulation development, published in the Journal of Pharmaceutical and Biomedical Analysis. They used NMR spectroscopy data to monitor structural changes in monoclonal antibodies during formulation development, emphasizing its utility in assessing protein stability and improving formulation screening processes.

  • Get These Data and Chart

    Quantum chemically computed NMR spectroscopy data and chart are available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. The spectral chart and associated dataset can be found under ‘Spectroscopic Analyses’ section.

    This is a powerful tool for molecular analysis, particularly valuable when experimental samples are limited or when spectra are complicated by overlapping bands. They provide insights that might be impossible to achieve through experimental means alone. To access NMR spectroscopy data and chart for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Refractive Index

  • Usage

    The refractive index is a physical property that indicates how much a substance bends light. In the pharmaceutical field, it is used to verify the concentration or purity of solutions. For instance, it is applied to measure the solubility of drugs or analyze the composition of solid formulations. This helps maintain the quality and consistency of pharmaceuticals. Refractive index measurement is favored as a non-destructive and rapid analytical method.

  • Case Studies

    Hong Zhou and his team from the National University of Singapore investigated the application of refractive index in vibrational de-overlapping techniques, published in the Nature Communications. They utilized refractive index data to enhance the identification accuracy of molecular vibrations, achieving a 92% accuracy even in complex biological reactions.

    Cory Juntunen and his team from the University of Wisconsin developed a novel method for refractive index measurement of pharmaceutical powders, published in the Powder Technology. They used refractive index data to determine the optical properties of pharmaceutical powders accurately, crucial for light scattering and spectroscopy measurements.

    Hadrien Fasseaux and his team from Umons in Belgium performed research on refractive index dynamics in optical fiber biosensors, published in Communications Engineering. They applied refractive index data to enhance biosensing accuracy and stability, particularly in monitoring insulin interactions in real-time.

  • Get This Data

    For any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As, refractive index is readily available at CC-DPS as one of our ‘Constant Properties’. To access refractive index data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Solubility Parameter

  • Usage

    The solubility parameter is a value used to predict the solubility of compounds, indicating how well a substance will dissolve in a particular solvent. It is calculated considering factors such as molecular polarity, hydrogen bonding capability, and dispersion forces. In the pharmaceutical field, it is utilized to predict the solubility of new drugs or to select the optimal solvent. Additionally, it is important for developing drug delivery systems and improving the absorption efficiency of drugs in the body.

  • Case Studies

    Hemayat Shekaari and his team from the University of Tabriz conducted research on enhancing drug solubility using biodegradable solvents, published in the Scientific Reports. They utilized solubility parameter data to evaluate the solubility of hesperidin in various deep eutectic solvents, demonstrating its potential for sustainable drug delivery systems.

    Mood Mohan and his team from the Joint BioEnergy Institute performed a study on solvation of biopolymers in ionic liquids, published in the Scientific Reports. They used solubility parameter data to screen 5670 ionic liquids for lignin dissolution, identifying suitable solvent combinations for efficient lignin conversion.

    Yang Cong and his team from Southeast University investigated solubility modeling of actarit in different solvents, published in the Journal of Molecular Liquids. They applied solubility parameter data to evaluate the solubility of actarit in various solvents, optimizing the drug's formulation and production process.

  • Get This Data

    For any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As, solubility parameter is readily available at CC-DPS as one of our ‘Constant Properties’. To access solubility parameter data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Thermal Conductivity

  • Usage

    Thermal conductivity refers to a material's ability to conduct heat and is important in the pharmaceutical field for managing temperatures during drug manufacturing and storage. It is used to assess the stability of solid formulations and optimize temperature distribution in reactors. Additionally, it helps in controlling the drug release rate in drug delivery systems by considering the heat transfer properties.

  • Case Studies

    Carter Blocka and his team from the University of Saskatchewan investigated the effects of moisture content and porosity on the thermal conductivity and volumetric specific heat capacity of pharmaceutical powders, published in the International Journal of Pharmaceutics. They used thermal conductivity data to optimize the drying process of pharmaceutical materials such as acetaminophen, enhancing the overall efficiency and quality of tablet manufacturing.

    Michele Simoncelli and his team from the University of Cambridge conducted a study on the thermal conductivity of glasses, published in the NPJ Computational Materials. They used thermal conductivity data to develop a first-principles protocol for predicting the thermal behavior of vitreous silica, which is crucial for designing better pharmaceutical packaging materials that ensure drug stability at various temperatures.

    Juan Aspromonte and his team from KU Leuven - University of Leuven performed research on the determination of water in solid pharmaceutical products using headspace gas chromatography with thermal conductivity detection, published in the Journal of Pharmaceutical and Biomedical Analysis. This study utilized thermal conductivity data to improve the accuracy and efficiency of water content measurement in solid pharmaceuticals, thereby ensuring product stability and efficacy.

  • Get This Data

    The thermal conductivity is available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. This is one of our ‘Temperature-Dependent Properties’, providing 20 datasets within a temperature range defined by the user. To access thermal conductivity data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Vibrational Circular Dichroism (VCD)

  • Usage

    Vibrational Circular Dichroism (VCD) is a technique that measures the difference in absorption of left- and right-circularly polarized light by molecules in their vibrational states. It is useful for analyzing the absolute structure and stereochemistry of molecules. VCD is applied in verifying the chiral forms of drugs, determining the absolute configuration of active ingredients, and studying protein and peptide structures. Particularly, it plays a crucial role in assessing the optical purity of synthesized pharmaceuticals.

  • Case Studies

    Cheng Xu and the research team from the National University of Singapore performed research on enhancing chiral molecule detection using VCD data, published in the Light: Science & Applications. They utilized VCD data to significantly improve the detection and analysis of chiral molecules, demonstrating a six-fold enhancement in signal strength using plasmonic chiral metamaterials.

    Joanna E. Rode and her colleagues from the Institute of Nuclear Chemistry and Technology explored differentiating pharmaceutical solvatomorphs with VCD spectroscopy, published in the Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. They used VCD data to distinguish between various solvatomorphs of dutasteride, highlighting VCD's sensitivity to subtle changes in sample composition.

    Dr. Monika Krupová and her research group from the Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences conducted a study on identifying supramolecular chirality in nucleoside crystals with VCD, published in the Chemistry – A European Journal. They used VCD data to analyze guanosine microcrystals, achieving significant enhancements in VCD signal and enabling rapid spectral measurements for quality control in pharmaceuticals.

  • Get These Data and Chart

    Quantum chemically VCD spectroscopy data and chart are available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. The spectral chart and associated dataset can be found under ‘Spectroscopic Analyses’ section.

    This is a powerful tool for molecular analysis, particularly valuable when experimental samples are limited or when spectra are complicated by overlapping bands. They provide insights that might be impossible to achieve through experimental means alone. To access VCD spectroscopy data and chart for your desired compound, simply enter the compound on the CC-DPS compound entry page.

Viscosity

  • Usage

    Viscosity in the pharmaceutical field refers to the measure of a fluid's resistance to flow, which is critical for ensuring the proper formulation and consistency of liquid medications. It affects the manufacturing process, stability, and delivery of drugs. For instance, high viscosity is essential for suspensions and syrups to ensure uniform dosing, while low viscosity is important for injectable solutions to enable smooth administration. Controlling viscosity helps maintain the efficacy and safety of pharmaceutical products.

  • Case Studies

    Taewoo Chun and his team from the University of Nottingham conducted research on the hydrodynamic behavior of teicoplanin A2 in aqueous solutions published in the Scientific Reports. They used viscosity data to analyze the self-association and hydrodynamic properties of teicoplanin A2, aiding in understanding its behavior in various administration methods, including intravenous and oral applications.

    Foad Vashahi and his team from the University of North Carolina at Chapel Hill examined injectable hydrogels with tissue-mimetic properties published in the Science Advances. They utilized viscosity data to design brush-like macromolecules that enhance the injectability and mechanical properties of hydrogels, providing significant implications for reconstructive surgery and drug delivery.

    Aisling Roche and her team from the University of Manchester investigated the improved prediction of antibody solution viscosity using the Huggins coefficient, published in the Journal of Colloid and Interface Science. They used viscosity data to enhance the prediction accuracy of monoclonal antibody solution viscosity, facilitating better control over product processing, packaging, and administration in pharmaceutical applications.

  • Get This Data

    The viscosity is available at CC-DPS for any compound, rare or novel, composed of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As. This is one of our ‘Temperature-Dependent Properties’, providing 20 datasets within a temperature range defined by the user. To access viscosity data for your desired compound, simply enter the compound on the CC-DPS compound entry page.

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