Article
Chemistry, Applied
Zhe Zhang, Lei Xu, Yani Liu, Runtian Feng, Tong Zou, Yuanshuo Zhang, Yuru Kang, Pengxin Zhou
Summary: Activated carbon synthesized from thermally activated phosphoric acid-treated mangosteen peels shows excellent adsorption performance for methylene blue through physical adsorption. The optimal preparation conditions are a 1:3 impregnation ratio, activation for 60 minutes at 450 degrees Celsius.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Biochemistry & Molecular Biology
Stephanie Giraldo, Nancy Y. Acelas, Raul Ocampo-Perez, Erika Padilla-Ortega, Elizabeth Florez, Camilo A. Franco, Farid B. Cortes, Angelica Forgionny
Summary: This study found that orange peel can effectively remove methylene blue and cadmium ions from water, particularly observing a synergic effect in multicomponent systems, increasing the adsorption capacity of cadmium ions. The results also showed that the adsorbent has good regeneration performance and potential application value.
Article
Chemistry, Inorganic & Nuclear
M. Khnifira, S. El Hamidi, A. Mahsoune, M. Sadiq, G. Serdaroglu, S. Kaya, S. Qourzal, N. Barka, M. Abdennouri
Summary: This study utilizes statistical physics modeling to investigate the adsorption of methylene blue cationic dye on TiO2 surface in aqueous solution. Through quantum chemical parameters and molecular dynamics simulations, it was found that MBCD molecules adsorb horizontally on different phases of TiO2, with TiO2 showing the highest adsorption energies for protonated MBCD.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Ximena Jaramillo-Fierro, Luis Fernando Capa, Francesc Medina, Silvia Gonzalez
Summary: This study investigated the electronic properties and dye adsorption capacity of ZnTiO3 and TiO2 oxides through computational methods, revealing that ZnTiO3 has significantly higher adsorption energy for dyes compared to TiO2, making it suitable for various technological and environmental applications.
Article
Engineering, Environmental
Hanggara Sudrajat, Ari Susanti, Ditta Kharisma Yolanda Putri, Sri Hartuti
Summary: The study found that particulate durian peel waste, chemically-activated with hydrogen peroxide, can effectively adsorb methylene blue, primarily on multilayers and heterogeneous surfaces. The adsorption of methylene blue is dominated by physical interactions, particularly hydrogen bonding.
WATER SCIENCE AND TECHNOLOGY
(2021)
Article
Biotechnology & Applied Microbiology
Mohd Azmier Ahmad, Muhammad Aswar Eusoff, Kayode Adesina Adegoke, Olugbenga Solomon Bello
Summary: Dragon fruit peel activated carbon exhibited heterogeneous surface with abundant functional groups and high fixed carbon content. The MB-DFPAC adsorption system showed high adsorption capacity and rapid adsorption rate.
ENVIRONMENTAL TECHNOLOGY & INNOVATION
(2021)
Article
Engineering, Environmental
Meirong Zong, Duo Song, Xin Zhang, Xiaopeng Huang, Xiancai Lu, Kevin M. Rosso
Summary: Research has shown that the exposure of different crystal facets in hematite nanostructures affects the adsorption and photodegradation efficiency of methylene blue, mainly due to variations in iron ion sites and surface structures. Experimental comparisons and theoretical calculations on the (001) and (012) facets reveal that the (001) facet exhibits a higher photodegradation rate for methylene blue.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2021)
Article
Engineering, Chemical
Noor Ainee Zainol, Asma Baharuddin, Nor Aida Yusoff, Khairunissa Syairah Ahmad Sohaimi, Nor Munirah Rohaizad, Azlinda Abdul Ghani, Edza Aria Wikurendra, Ary Andini, Achmad Syafiuddin
Summary: In this study, orange peel was used as a low-cost adsorbent for the adsorption of methylene blue from aqueous solution. The results showed that a high level of color removal from dye wastewater could be achieved within a short time using orange peel as an adsorbent, suggesting its potential application in industrial wastewater treatment.
DESALINATION AND WATER TREATMENT
(2022)
Article
Engineering, Chemical
Faouzia Benamraoui, Hassina Boudiaf, Antar Bouhank, Lahcene Bencheikh, Riadh Bourzami, Antonio Gil, Aziza-Imene Boulahbalc, Mokhtar Boutahala
Summary: This study presents the potential use of black cumin seed waste as a low-cost biosorbent for methylene blue removal. The experimental results indicate that black cumin seed waste has excellent adsorption capacity for methylene blue and can effectively remove it from wastewater.
DESALINATION AND WATER TREATMENT
(2023)
Article
Biochemistry & Molecular Biology
Ximena Jaramillo-Fierro, Sneyder Gaona, Eduardo Valarezo
Summary: Density functional theory (DFT) was used to investigate the effect of La3+ on the electronic properties and photocatalytic activity of the (101) surface of anatase TiO2. The results showed that La3+ doping reduced the bandgap energy and enhanced the adsorption capacity of TiO2. The La/TiO2 semiconductor exhibited better adsorption performance for methylene blue.
Article
Chemistry, Physical
Maya Rahmayanti, Annisa Nurul Syakina, Is Fatimah, Triastuti Sulistyaningsih
Summary: Magnetite nanoparticles were synthesized using jengkol peel extract and applied as an adsorbent for methylene blue (MB). The interaction mechanism, adsorption kinetics, and isotherms of MB onto JMNPs were studied. The results showed that the particle size of JMNPs ranged from 250-450 nm, and the saturation magnetization decreased with an increase in the amount of JPE.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Environmental Sciences
Demet Bal, Cigdem ozer, Mustafa Imamoglu
Summary: This study investigated the adsorption of methylene blue (MB) dye on biochar prepared from pumpkin peel as a low-cost adsorbent. Various techniques were used to analyze the structure of the biochar and it was found to be effective in removing MB from wastewater. Kinetic studies showed that the adsorption process followed a pseudo-second-order model on the biochar. Overall, the results suggest that pumpkin peel biochar is a promising low-cost adsorbent for MB removal.
WATER AIR AND SOIL POLLUTION
(2021)
Article
Environmental Sciences
Harshita Jain, Varsha Yadav, Vishnu D. Rajput, Tatiana Minkina, Smriti Agarwal, Manoj Chandra Garg
Summary: This study investigates the feasibility of using economical organic biosorbents (such as sugarcane bagasse, peanut hull, and orange peel) for the elimination of methylene blue dye from textile wastewater. The results show that under suitable conditions, these biosorbents can effectively remove the dye from the wastewater.
WATER AIR AND SOIL POLLUTION
(2022)
Article
Energy & Fuels
Huan Wang, Ruixin Liu, Jianshe Yue, Wei Zhao, Youning Chen
Summary: Zn-Al layered double oxide/magnetic pineapple peel biochar was prepared and found to have good adsorption performance for methylene blue, and it can be recycled.
BIOMASS CONVERSION AND BIOREFINERY
(2022)
Article
Biochemistry & Molecular Biology
Stephanie Giraldo, Irma Robles, Luis A. Godinez, Nancy Acelas, Elizabeth Florez
Summary: The study demonstrated that chemically treated orange peel materials have great potential for removing methylene blue from aqueous solutions, with the main adsorption mechanisms being electrostatic interactions, hydrogen bonding, and pi-pi interactions.
Article
Chemistry, Physical
Hamida Tlidjane, Nadjib Chafai, Salah Chafaa, Chawki Bensouici, Khalissa Benbouguerra
Summary: Four new alpha-aminophosphonic acids containing thiophene ring were synthesized using simple, neat, and catalyst-free conditions under microwave irradiations, showing excellent antioxidant and antifungal activity, as well as good inhibition of SARS-CoV-2 main protease.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Houdheifa Layaida, Abdelkader Hellal, Nadjib Chafai, Ines Haddadi, Kirouani Imene, Bouchama Anis, ElKolli Mouna, Chawki Bensouici, Widad Sobhi, Ayoub Attoui, Adjissi Lilia
Summary: A novel Schiff-base derived from curcumin and L-Alanine was synthesized and its structure was characterized using various techniques. The Schiff base exhibited stronger antimicrobial activity against clinically important pathogens and higher antioxidant activity compared to standard antioxidants. These findings are of significance for the development of new drugs and antimicrobial agents.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Siham Kitouni, Nadjib Chafai, Salah Chafaa, Noudjoud Houas, Samira Ghedjati, Meriem Djenane
Summary: A Schiff base (I1) and its corresponding alpha-aminophosphonic acid (P1) were synthesized with a simple and rapid preparation method and showed good antioxidant activities. The theoretical study using DFT calculations revealed the preferred mechanism and reaction sites for free radical scavenging. The calculated data were consistent with the experimental results.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Rachida Kerkour, Nadjib Chafai, Ouahiba Moumeni, Saleh Chafaa
Summary: This study investigates the inhibitory role of a novel alpha-aminophosphonate derivative on the major protease and RNA polymerase of SARS-CoV-2 using Density Functional Theory approach and in silico docking. The synthesized molecule is confirmed through experimental methods, and its reactivity is analyzed using quantum chemical parameters. In addition, the inhibitory function of the investigated derivative for the major protease and RNA polymerase is estimated using in silico docking. These findings may contribute to the development of novel SARS-CoV-2 therapies.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Lilia Adjissi, Nadjib Chafai, Khalissa Benbouguerra, Imene Kirouani, Abdelkader Hellal, Houdheifa Layaida, Meriem Elkolli, Chawki Bensouici, Salah Chafaa
Summary: Three new hydrazones, HZ-1, HZ-2, and HZ-3, were synthesized by reacting (4methylphenyl)hydrazine with three heterocyclic aldehydes in ethanol. Spectroscopic and physicochemical methods confirmed the structures of these compounds, and they exhibited excellent antioxidant and antibacterial activities. Theoretical calculations supported the experimental results, and predictions showed that these compounds have good oral bioavailability and inhibitory activity against SARS-CoV-2 main protease.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Engineering, Chemical
Ouahiba Moumeni, Mouna Mehri, Rachida Kerkour, Abir Boublia, Fouad Mihoub, Khallil Rebai, Azmat Ali Khan, Alessandro Erto, Ahmad S. Darwish, Tarek Lemaoui, Nadjib Chafai, Yacine Benguerba
Summary: This study evaluated the potential of two specific alpha-aminophosphonate molecules as anticorrosion agents for XC48 carbon steel under acidic conditions. The results showed high inhibition efficiency for both molecules, with AMP1 and AMP2 having inhibition efficiencies of 83.34% and 63.82% for EIS and 82.70% and 74.57% for PDP, respectively. The study also demonstrated the influence of temperature on inhibition efficiency and revealed the formation of chemisorption coating inhibiting acid attack.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Chemistry, Physical
Imene Kirouani, Abdelkader Hellal, Abdelghani Madani, Houdheifa Layaida, Ines Haddadi, Anis Bouchama, Nadjib Chafai
Summary: A series of alpha-aminomethylphosphonates were synthesized successfully via the Kabachnik-Fields reaction using different conditions including reflux heating and microwave irradiation. The compounds were characterized by various analytical techniques such as elemental analysis, UV-vis, FT-IR, H-1-NMR, and P-31-NMR. Density Functional Theory (DFT) was employed to study their molecular properties. The synthesized compounds exhibited promising antibacterial activity.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Noudjoud Houas, Siham Kitouni, Nadjib Chafai, Samira Ghedjati, Meriem Djenane, Assia Tounsi
Summary: In this study, a new molecule called HBPA was synthesized and its molecular structure was determined using spectroscopic methods. The compound showed remarkable inhibition in antioxidant activities compared to the standard BHT. It also exhibited stable interaction with free radicals and a diffusion governed by a slow charge transfer. Molecular docking experiments indicated significant binding of HBPA with active sites of the SARS-CoV-2 main protease (M-pro).
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Nadjib Chafai, Hicham Salhi, Abdelmounaim Hadjira, Khalissa Benbouguerra, Lilia Adjissi, Hellal Abdelkader
Summary: 62 models have been proposed to predict corrosion inhibition efficiency using statistical analysis. Experimental data for the corrosion inhibition efficiencies of 100 inhibitors were used to determine the most adequate quantitative structure activity relationship (QSAR) models. The best model was found to be the cubical model for IEEIS and the linear model for IEp.
JOURNAL OF THE INDIAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Siham Abdoune, Nabila Aliouane, Abdelkader Hellal, Mousa Al-Noaimi, Naima Sait, Nadjib Chafai, Linda Toukal, Nadia Ait Ahmed
Summary: This study examined the effects of two alpha-aminophosphonic acids on the surface of carbon steel using weight loss, potentiodynamic polarization spectroscopy, and electrochemical impedance spectroscopy. The results showed that these acids had good inhibitory effects on the corrosion of carbon steel at a certain concentration. The morphological changes of the inhibited and uninhibited surfaces were observed using atomic force microscopy and scanning electron microscopy, which were consistent with the experimental results. Density functional theory was used to calculate the quantum chemical parameters, and molecular dynamics simulations were performed to study the interfacial arrangement of the chemicals and Fe(110)/H2O. The theoretical findings strongly supported the experimental results.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Environmental Sciences
Hichem Tahraoui, Selma Toumi, Amel Hind Hassein-Bey, Abla Bousselma, Asma Nour El Houda Sid, Abd-Elmouneim Belhadj, Zakaria Triki, Mohammed Kebir, Abdeltif Amrane, Jie Zhang, Amin Aymen Assadi, Derradji Chebli, Abdallah Bouguettoucha, Lotfi Mouni
Summary: This study develops an optimized K-nearest neighbor model using the improved grey wolf optimization algorithm to predict dry residue quantities. The model demonstrates high efficiency in predicting water pollution.
Article
Chemistry, Multidisciplinary
Nadjib Chafai, Hicham Salhi, Khalissa Benobouguerra, Salah Chafaa
Summary: In this study, the natural convection of nanofluids in an inclined flat bottom flask was numerically investigated. The results showed that the addition of nanoparticles enhanced the heat transfer and caused significant changes in the flow pattern. Furthermore, it was found that the heat transfer performance increased with increasing Rayleigh number and nanoparticle volume fraction.
IRANIAN JOURNAL OF CHEMISTRY & CHEMICAL ENGINEERING-INTERNATIONAL ENGLISH EDITION
(2022)
Article
Chemistry, Applied
Rachida Kerkour, Ouahiba Moumeni, Meriem Djenane, Nadjib Chafai, Saleh Chafaa
Summary: The synergistic effect of DPA and Zn2+ has been found to have remarkable inhibitory efficiency on carbon steel X48. The combination of DPA and Zn2+ inhibits both the anodic and cathodic reactions to the same amount, and exhibits significant adsorption on the surface steel.
INDIAN JOURNAL OF CHEMICAL TECHNOLOGY
(2022)
Article
Nanoscience & Nanotechnology
Hicham Salhi, Nadjib Chafai
Summary: In this study, statistical analysis methods such as cluster analysis were used to group effective thermal conductivity models of nanofluids. Four models were proposed to estimate the thermal conductivity of nanofluids, with volume fraction considered as the best predictor. Different suggested models were evaluated using nine statistical indicators and global performance indicators.
NANOSCIENCE AND TECHNOLOGY-AN INTERNATIONAL JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Nadjib Chafai, Khalissa Benbouguerra, Salah Chafaa, Abdelkader Hellal
Summary: The Algerian health Ministry has authorized the use of Hydroxychloroquine and Chloroquine in Algeria to treat COVID-19 patients, and their active sites and properties have been studied theoretically.
IRANIAN JOURNAL OF CHEMISTRY & CHEMICAL ENGINEERING-INTERNATIONAL ENGLISH EDITION
(2022)
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)