Article
Chemistry, Applied
Nelly H. Mahmoud, Ghada H. Elsayed, Asmaa Aboelnaga, Asmaa M. Fahim
Summary: In this study, a series of stable metal coordination compounds based on isonicotinohydrazide derivative were synthesized and confirmed through various physicochemical and analytical analyses. These complexes exhibited good performance in terms of thermal stability, kinetic parameters, and structural properties. Moreover, the synthesized metal complexes showed promising inhibitory activity against cancer cells in cell experiments. Molecular docking studies and computational calculations further confirmed the biological activity and reactivity of these complexes.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Nasser Mohammed Hosny, Arafa Belal, Rana Motawea, Mostafa A. Hussien, Mohamed H. Abdel-Rhman
Summary: A new ligand H2L and its metal complexes were synthesized and characterized through various analytical methods. Molecular docking was used to predict the anticancer activities of the compounds, showing that the ligand exhibited strong cytotoxicity while the metal complexes had moderate cytotoxicity.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
Anup Paul, Priya Singh, Maxim L. Kuznetsov, Anirban Karmakar, M. Fatima C. Guedes da Silva, Biplob Koch, Armando J. L. Pombeiro
Summary: The two newly synthesized copper(II) compounds exhibit significant in vitro cytotoxic effects, particularly showing pronounced inhibitory effects on the proliferation of the breast cancer cell line MCF-7. Through various biological studies, the effective antiproliferative mechanism of compound 1 on breast cancer cells has been confirmed.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Pragti, Sreshtha Nayek, Satyam Singh, Avinash Sonawane, Ivo Grabchev, Rakesh Ganguly, Suman Mukhopadhyay
Summary: In this study, three Ru(II) arene complexes with a bidentate benzimidazole-based ligand were synthesized and their antitumor activity was studied by varying the co-ligand X. The synthesized compounds showed good interactions with serum albumin proteins, had good drug stability and lipophilic character. They were found to bind with DNA and could induce apoptosis in cancer cells, as well as upregulate cleaved caspase-3 expression and downregulate BCLXL expression. These findings provide a new direction for the investigation of antitumor ruthenium-based metallodrugs using benzimidazole-based ligands.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
K. Veena, M. S. Raghu, K. Yogesh Kumar, C. B. Pradeep Kumar, Fahad A. Alharti, M. K. Prashanth, Byong-Hun Jeon
Summary: This study successfully developed a new class of benzimidazole-linked thiazole compounds as chemotherapeutic drugs with anti-tuberculosis activity. Some of these compounds showed high antimicrobial effects against drug-resistant Mycobacterium tuberculosis strains. The study also revealed some structure-activity relationships and demonstrated the interaction of the compounds with the key protein MmpL3 through molecular docking studies. In addition, the potential drug properties of these compounds were validated through in-silico predictions.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Ahmed M. Abu-Dief, Nouf H. Alotaibi, Eida S. Al-Farraj, Hamza A. Qasem, Seraj Alzahrani, Metwally K. Mahfouz, Aly Abdou
Summary: Coordination compounds of Ag(I), Cu(II), Ni(II), Fe(III), and VO(II) ions were synthesized and their structures were investigated. The ligand formed specific structures with the ions. The structures of the compounds were optimized using density functional theory, and critical theoretical factors were calculated. Furthermore, the biological activities of the compounds were studied using molecular docking and in vitro experiments.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Applied
Ahmed E. Salem, Soha F. Mohammed, Sadeek A. Sadeek, Wael A. Zordok, Mohamed S. El-Attar
Summary: Four mixed ligand metal complexes derived from the interaction of Cu(II), Zn(II), Zr(IV), and Cd(II) with antihistamine cetirizine were synthesized and characterized. The complexes exhibited excellent thermal stability and biological activity, suggesting their potential as bactericides.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Applied
Nadia A. A. Elkanzi, Ali M. Ali, Mha Albqmi, Aly Abdou
Summary: Two new Fe(III) and Cr(III) complexes were synthesized and characterized. The structures were confirmed using various analytical techniques and theoretical calculations. The complexes exhibited significant antimicrobial and anti-inflammatory activities, inhibiting the growth of pathogenic microbes.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Ulviye Acar Cevik, Aysen Isik, Ravikumar Kapavarapu, Kaan Kucukoglu, Hayrunnisa Nadaroglu, Hayrani Eren Bostanci, Yusuf Ozkay, Zafer Asim Kaplancikli
Summary: In this study, a series of benzimidazole-triazole derivatives were synthesized and evaluated for their inhibitory activity against hCA-I and hCA-II. These compounds displayed good inhibitory activities against both enzymes, with compound 6j being the most active. The cytotoxic effects of compounds 6a-6k on normal cells were also assessed, and non-competitive enzyme inhibition kinetics were observed. Molecular docking studies confirmed the binding interactions between compound 6j and the enzyme's active site, supporting the experimental findings.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Umut Dogan, Ozge Ozcan, Gizem Alaca, Aydan Ari, Salih Gunnaz, H. Tansel Yalcin, Onur Sahin, Sevil Irisli
Summary: Three new Platinum complexes were synthesized and characterized, showing moderate cytotoxic activities against cancer cell lines and antimicrobial effects on both gram positive and gram negative bacteria.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
N. Ranjitha, G. Krishnamurthy, M. N. Manjunatha, H. S. Bhojya Naik, Malathesh Pari, N. K. Vasantakumarnaik, J. Lakshmikantha, K. Pradeepa
Summary: A novel ligand, BCA, and its Co(II), Ni(II), Cu(II) complexes were synthesized and characterized. The ligand acted as a tridentate ligand and formed distorted octahedral geometry around the metal ion. The modified electrode, [Co(BCA)2]Cl2/GCE, showed excellent electrocatalytic ability for detecting glucose and H2O2, with a detection limit of 0.133 mu M and 0.0666 mu M, respectively. Furthermore, the ligand and its metal complexes were evaluated for their antibacterial, antifungal, antioxidant, and cytotoxic effects, as well as their binding efficiency to cancer receptors.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Shankaraiah Ambala, Vishnu Thumma, Veerabhadraiah Mallikanti, Shalini Aitha, Raghavender Matta, Jalapathi Pochampally
Summary: New benzimidazole-based piperazine analogues (9 a-n) were synthesized and screened for their cytotoxicity against human breast cancer cell lines MCF-7 and MDA-MB-231. Compound 9 f showed outstanding activity against both cell lines, and compound 9 m exhibited superior activity against MDA-MB-231 cells. Compound 9 c showed activity on par with Doxorubicin against MCF-7 cells. The active compounds did not show any toxicity on MCF-10A cells and exhibited notable binding energies and interactions with Cyclin-dependent kinase 6.
Article
Chemistry, Physical
Laila El Foujji, Khadija El Bourakadi, El Mokhtar Essassi, Rene T. Boere, Abou el Kacem Qaiss, Rachid Bouhfid
Summary: This paper reports the synthesis, characterization, and crystal structure of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-benzimidazole. The experimental and theoretical studies provide insights into the structure and properties of the compound. The research also suggests potential drug-like behavior of the molecule.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Leila Magdy Abbass, Sadeek Atia Sadeek, Maged Abd El-Raouf Aziz, Wael Abd-allah Zordok, Mohamed Saeed El-Attar
Summary: New complexes of Mn(II), Fe(III), Co(II), and Ni(II) with the urate-lowering drug febuxostat (FEB) and 2,2'-bipyridine (Bipy) were synthesized and characterized. The complexes were investigated using various analytical techniques including elemental analysis, molar conductance, magnetic measurements, FT-IR, UV-visible, 1H NMR, mass spectrometry (MS), X-ray diffraction (XRD) and thermal analyses (TG-DTG). The results showed that the complexes exhibited octahedral geometry based on magnetic and electronic spectra. The complexes also demonstrated antioxidant activity and xanthine oxidase inhibitory activity.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Inorganic & Nuclear
Paulpandiyan Rajakkani, Arunadevi Alagarraj, Senthil A. Gurusamy Thangavelu
Summary: A new tetraaza macrocyclic Knoevenagel Schiff base and its metal complexes were synthesized and characterized, showing potential biological activities and binding properties with DNA. Multiple spectroscopic and analytical techniques were used to study the compounds, including experiments to determine the type of binding with nucleic acids.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
M. Giridhar, H. S. Bhojya Naik, M. C. Prabhakar, M. Madhukara Naik, N. Ballesh, M. C. Mahesh
Summary: Capped and uncapped zinc sulphide nanoparticles were successfully synthesized from used Zn-C battery, with the dye-capped NPs showing excellent antibacterial properties. The minimum inhibitory concentrations for S. typhi and B. subtilis were found to be 0.156 and 0.625 mg/ml, respectively. Overall, the organic-inorganic hybrid NPs are a promising new class of antibacterial agents.
BULLETIN OF MATERIALS SCIENCE
(2021)
Article
Chemistry, Inorganic & Nuclear
E. Indrajith Naik, H. S. Bhojya Naik, M. S. Sarvajith, E. Pradeepa
Summary: The article presents a new modified sensor based on a carbon paste electrode using cobalt doped zinc oxide nanoparticles for the simultaneous determination of uric acid and adrenaline with high selectivity and sensitivity. Characterization and optimization were performed to fabricate a sensor with excellent performance towards the oxidation of uric acid. The synthesized sensor is capable of determining both analytes simultaneously with diffusion-controlled electrode processes.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
K. Chetankumar, B. E. Kumara Swamy, H. S. Bhojya Naik
Summary: The MgO-MWCNTs-MCPE was used in this study for the specific and simultaneous investigation of guanine, adenine, and epinephrine. By optimizing specific parameters and employing electrochemical methods, satisfactory results were obtained in terms of sensitivity and selectivity.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
P. H. Amith Nayak, H. S. Bhojya Naik, H. B. Teja, B. R. Kirthan, R. Viswanath
Summary: A Schiff base copper complex for OLEDs application was successfully synthesized and characterized using various techniques. The complex showed promising performance in a green light emitting multi-layered OLED device, demonstrating high brightness and efficiency.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS
(2021)
Article
Biochemistry & Molecular Biology
B. Vinay Kumar, H. C. Ananda Murthy, T. Aravinda, K. N. Harish, H. S. Bhojya Naik
Summary: This study describes the synthesis and structures of a novel ligand and its metal complexes, along with their in vitro antimicrobial activities and interaction with DNA. The results revealed potential DNA cleavage and inhibitory properties of the newly synthesized Cu(II)-L complex against both bacterial and fungal strains.
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS
(2021)
Article
Materials Science, Multidisciplinary
M. Shashank, H. S. Bhojya Naik, J. Shashikanth, Aatika Nizam, G. Nagaraju
Summary: The research focuses on the use of zirconium phosphate nanoparticles for photocatalytic degradation of dyes, showing higher efficiency in basic conditions. Additionally, zirconium phosphate is also used as a catalyst for the nitration of aldehydes in different solvents.
BULLETIN OF MATERIALS SCIENCE
(2021)
Article
Chemistry, Inorganic & Nuclear
Barikara Shivaraj, M. C. Prabhakara, H. S. Bhojya Naik, E. Indrajith Naik, R. Viswanath, M. Shashank, B. E. Kumara Swamy
Summary: The wet chemical precipitation method was successfully used to synthesize Ni-doped ZnO nanorods. The study characterized the structure, optical properties, and functional groups of the nanorods, and demonstrated the unique properties of Ni-doped ZnO, including hexagonal crystal structure, optical bandgap, and enhanced antibacterial activity.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
P. H. Amith Nayak, H. S. Bhojya Naik, R. Viswanath, B. R. Kirthan
Summary: The study developed efficient light-emissive materials for organic light-emitting diodes, with zinc metal complexes showing promising results as emissive layers emitting green and yellowish-orange colors. This research indicates the potential of these zinc complexes as strong electroluminescent materials for opto-electronic applications.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Chemistry, Analytical
M. Shashank, H. S. Bhojya Naik, Shivaraj B. Patil, R. Viswantha, G. Nagaraju
Summary: MoO3, a promising material for energy storage, faces challenges of poor conductivity and large volume changes. By synthesizing MoO3 nanoparticles with different fuel ratios using tamarind seed powder as a novel fuel, increasing carbon content can improve battery performance. Characterization techniques confirmed the structural purity, morphology, and optical properties of the prepared material.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
G. Vishnu, H. S. Bhojya Naik, R. Viswanath, B. R. Kirthan, P. H. Amith Nayak, Mohammed Abdullah Bajiri
Summary: Magnesium-doped CdFe2O4 nanoparticles were synthesized using a combustion method, and their spectroscopic properties, crystal structure, and antibacterial activity were investigated, showing that magnesium doping can modify the nanoparticles' structure, optical properties, and antibacterial performance.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
N. Ranjitha, G. Krishnamurthy, H. S. Bhojya Naik, Malathesh Pari, Lubna Afroz, K. R. Sumadevi, M. N. Manjunatha
Summary: In this study, a new ligand DPD and its Co (II), Ni (II), and Cu (II) complexes were synthesized and their structures were investigated using various analysis methods. The oxidation behavior of the modified electrode was evaluated using cyclic voltammetry, which showed excellent performance. Furthermore, the antibacterial, antioxidant, and cytotoxic activities of the ligand and complexes were studied.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Physical
Barikara Shivaraj, M. C. Prabhakara, H. S. Bhojya Naik, E. Indrajith Naik, R. Viswanath, M. Shashank
Summary: Chemical co-precipitation method was used to synthesize ZnO and 3 wt% Tb doped ZnO nanoparticles. Optical, photoluminescence, electrochemical-sensing, and antibacterial properties were investigated. The hexagonal wurtzite structure was confirmed by XRD studies, and FTIR showed strong absorption and stretching vibration between the molecules. The morphology of the samples was identified by SEM and TEM micrographs, and EDXA spectroscopy was used for elemental composition analysis. The influence of Tb content on bandgap was analyzed by UV-Vis spectra, and PL study confirmed the existence of defects and band edges. Electrochemical routines and antibacterial activities of Tb-ZnO NPs were also studied.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Chemistry, Inorganic & Nuclear
N. Venkatalakshmi, H. Jyothi Kini, H. S. Bhojya Naik
Summary: In this study, cubic nickel oxide nanoparticles were synthesized using Calotropis gigantea leaf extract as a fuel. The characterization techniques confirmed the formation of crystalline nickel oxide nanoparticles with an average size of 17.06 nm. The nanoparticles exhibited hexagonal shape and agglomeration. Optical studies showed an energy bandgap of 3.04 eV and FTIR analysis confirmed the vibrational stretching mode of Ni-O. The nanoparticles also demonstrated room temperature ferromagnetic property and significant anticancer activity against liver cancer cells. Additionally, the antibacterial assay indicated higher resistance of gram-negative bacteria to antibiotic drugs compared to gram-positive bacteria.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Mohammed Abdullah Bajiri, Abdo Hezam, K. Namratha, Basheer M. Al-Maswari, H. S. BhojyaNaik, K. Byrappa, Nabil Al-Zaqri, Ali Alsalme, Raghad Alasmari
Summary: The study prepared a Cu-doped ZnO/Cu/g-C3N4 heterostructure, effectively enhancing photocatalytic activity, with Cu playing a key role in reducing bandgap, facilitating charge transport, and enhancing catalytic activity. The presence of Cu in different chemical states has been confirmed through various analytical techniques, leading to improved degradation of organic dyes under sunlight irradiation.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
K. R. Sumadevi, G. Krishnamurthy, Prabhaker Walmik, R. S. Priya Rani, Satish Naik, H. S. Bhojya Naik, Nagaraja Naik
Summary: This study prepared and studied the photocatalytic activity of ZnS, PVA-capped Ag:ZnS, and uncapped Ag:ZnS nanoparticles, demonstrating successful degradation of dyes under sunlight. The nanoparticles act as photocatalysts, with PVA-capped nanoparticles showing higher degradation efficiency.
EMERGENT MATERIALS
(2021)
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)
