Article
Biochemistry & Molecular Biology
Mohammad Aghazadeh Meshgi, Alexander Pocheim, Judith Baumgartner, Viatcheslav V. Jouikov, Christoph Marschner
Summary: A variety of mono- and dioligosilanylated silocanes were synthesized and their reactions were described in detail. The study revealed that there were no signs of hypercoordinative interaction between the nitrogen and silicon silocane atoms in either the solid state or in solution.
Article
Chemistry, Physical
Ilya K. Mikhailov, Zufar N. Gafurov, Alexey A. Kagilev, Vladimir I. Morozov, Artyom O. Kantyukov, Ekaterina M. Zueva, Gumar R. Ganeev, Ilyas F. Sakhapov, Asiya V. Toropchina, Igor A. Litvinov, Galina A. Gurina, Alexander A. Trifonov, Oleg G. Sinyashin, Dmitry G. Yakhvarov
Summary: A Pt(II) complex with chelating tridentate bis-aryloxide tetrahydropyrimidinium-based N-heterocyclic carbene (NHC) was synthesized and characterized. The electrochemical properties of the complex were studied using cyclic voltammetry and differential pulse voltammetry, revealing two reversible one-electron oxidation processes. A spectroscopic (UV-Vis/NIR- and EPR-) and theoretical (density functional theory (DFT)) study suggested the formation of a Pt(II)-phenoxyl radical complex, which was structurally characterized by X-ray diffraction analysis. The neutral platinum complex was tested as a mediator in the process of electrocatalytic oxidation of 2-(methylamino)ethanol (MEA).
Article
Chemistry, Physical
Xinxin He, Xinyan Wang, Ying-Lung Steve Tse, Zhihai Ke, Ying-Yeung Yeung
Summary: Bidentate Lewis acid catalysts derived from selenonium dicationic centers have been developed for various transformations with good yields and selectivity. These catalysts exhibit stronger Lewis acidity compared to monoselenonium systems due to the synergistic effect of the two cationic selenonium centers, and are not inhibited by strong bases or moisture.
Article
Chemistry, Multidisciplinary
Aditya Kulkarni, Selvakumar Arumugam, Maria Francis, Pulikanti Guruprasad Reddy, Ekta Nag, Sai Manoj N. V. T. Gorantla, Kartik Chandra Mondal, Sudipta Roy
Summary: Cyclic alkyl(amino) carbene (cAAC)-supported, structurally diverse alkali metal-phosphinidenides have been synthesized and characterized through NMR studies and X-ray diffraction. The mechanism of electron transfer process was supported by cyclic voltammetry studies and Density Functional Theory calculations. The solid state oligomerization process was found to be largely dependent on the ionic radii of alkali metal ions, steric bulk of cAAC ligands, and solvation/de-solvation/recombination of the dimeric unit.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Anton A. Ulantikov, Konstantin A. Brylev, Taisiya S. Sukhikh, Yuri Mironov, Viktoria K. Muravieva, Yakov M. Gayfulin
Summary: A series of new octahedral rhenium cluster complexes were synthesized and investigated, showing that the difference in the electronic structure of the ligands has a fundamental effect on the properties of the complexes. The complexes with bpp ligand exhibit higher photoluminescence performance.
Article
Chemistry, Multidisciplinary
Aleksandra Masulovic, Jelena D. Lovic, Jelena Ladarevic, Vesna Vitnik, Zeljko Vitnik, Milka Avramov Ivic, Dusan Mijin
Summary: In this study, the electrooxidation ability of nine pyridones was evaluated using cyclic and square-wave voltammetry in aqueous buffer solutions. The influence of pyridone structure on electrochemical activity was investigated through experimental spectra and quantum chemical calculations. The presence of -OH group at position 6 of the pyridone ring was found to determine the electrochemical activity. The most stable forms, both protonated and deprotonated, were defined using UV-Vis spectra and DFT calculations, with the deprotonated anionic form identified as the most electrochemically active. Additionally, the impact of the substituent at position 3 of the pyridone scaffold was discussed.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Inorganic & Nuclear
Samya Samanta, Cameron Zheng, Leah Gajecki, David J. Berg, Allen G. Oliver, Tristan Crosby, Logan Godin, Jaylene Sandhu
Summary: The synthesis of carbazole-bis(triazole) and carbazole-bis(tetrazole) ligands and their corresponding Pd and Pt complexes were reported in this study. The electronic structures of these metal complexes were studied using methods such as X-ray structure analysis, cyclic voltammetry, and DFT calculations, revealing interesting differences in their oxidation potentials.
JOURNAL OF COORDINATION CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Iulia V. Savina, Anton A. Ivanov, Darya V. Evtushok, Yakov M. Gayfulin, Andrey Y. Komarovskikh, Mikhail M. Syrokvashin, Mariia N. Ivanova, Igor P. Asanov, Ilia V. Eltsov, Natalia V. Kuratieva, Yuri V. Mironov, Michael A. Shestopalov
Summary: This study presents the synthesis and characterization of new chalcogenide molybdenum clusters. The oxidized and reduced forms of the clusters have similar geometries and can be reversibly transformed into each other. Comprehensive characterization reveals the different charge states and magnetic properties of molybdenum in the clusters. DFT calculations contribute to the understanding of the chemistry of molybdenum chalcogenide clusters.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Nesimi Uludag, Goncagul Serdaroglu, Paramasivam Sugumar, Parthasarathi Rajkumar, Naki Colak, Erol Ercag
Summary: Efficient pathway synthesis of 6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate derivatives was achieved. The structures of the synthesized compounds were confirmed using spectroscopic methods. Antioxidant assays revealed that compound 2 exhibited the highest antioxidant capacity, followed by compound 1 and compound 3. Docking studies demonstrated that compound 1 had the strongest inhibitory activity against Escherichia coli thymidylate synthase. TD-DFT calculations and NBO analysis further supported the conclusions drawn from the antioxidant assays and docking studies.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Andrey Petrov, Lawrence Conrad, Nathan T. Coles, Manuela Weber, Dirk Andrae, Almaz Zagidullin, Vasili Miluykov, Christian Mueller
Summary: In this study, a diglyme solution of Na[cyclo-P-5] was reacted with alkynes and isolobal nitriles and phosphaalkynes to obtain (aza)phospholide anions 2 a-c, 4 a,b, and 6. The coordination of these anions with Fe-II resulted in the formation of (aza)phosphametallocenes 3 a-c, 5 a,b and 7. The new compounds were characterized using various spectroscopy and crystallography techniques.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Optics
Anuj Dalal, Kapeesha Nehra, Anjli Hooda, Devender Singh, Rajender Singh Malik, Sumit Kumar
Summary: This paper highlights the synthesis of fluorescent derivatives of 2,2'-bipyridine, showcasing their applications in electroluminescent devices. The compounds were characterized using various spectroscopic techniques and photophysical properties were identified through photoluminescence spectra. Additionally, the compounds' electrochemical behavior was studied and their kinetic stability and chemical inertness were confirmed through optical band gap data analysis.
Article
Chemistry, Applied
Laura N. Kloeters, Lars May, Barbel Tengen, Lea May, Thomas J. J. Mueller
Summary: A series of phenothiazine-triazine chromophores were prepared through twofold nucleophilic substitution on cyanuric chloride. These compounds exhibit high fluorescence quantum yields in solution and in the solid state, with emission colors ranging from deep blue to red. Electron deficient substituted triazine chromophores show strong charge transfer character and potential for thermally activated delayed fluorescence (TADF) and white light emission.
Article
Chemistry, Organic
Marvin Stephan, Birgit Stute, Eric Lieres, Thomas J. J. Mueller
Summary: A consecutive three-component Heck-Knoevenagel synthesis of phenothiazinyl merocyanines was developed, resulting in the synthesis of nine red orange dyes. The electronic properties of these dyes were investigated, and their performances in dye-sensitized solar cells were promising with relative efficiencies of up to 93% compared to the standard ruthenium dye N3.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Hana-Amira Guadouria, Moufida Merzouguia, Douniazed Hannachia, Mustapha Ait Alic, Kamel Ouari
Summary: An exhaustive description of the crystal structure, DFT, TD-DFT and redox properties of a non-symmetrical nickel complex NiLOH is presented. The complex shows potential catalytic activity in cyclohexene epoxidation reaction and better inhibitory potential towards some examined bacteria.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Aya Atef El-Sawi, Ibrahim Hassan Habib, Mohamed Ramadan Elmorsy, Asmat Ullah, Rehab Omar El-Attar, Abdel-Rahman Hassan Abdel-Rahman, El-Sayed Ibrahim El-Desoky, Mohamed Ahmed Abozeid
Summary: In this study, heteroatom-doped polycyclic aromatic hydrocarbons with excellent optoelectronic properties were successfully synthesized through base-catalyzed cascade reaction. The synthesized compounds were found to have a decreased energy gap, indicating their potential in semiconducting and light-harvesting applications. Additionally, they exhibited good thermal stability, qualifying them for various organic electronic applications.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Analytical
Zoubida Taleb, Amina Ramdani, Raul Berenguer, Nadia Ramdani, Mehdi Adjir, Safia Taleb, Emilia Morallon, Said Nemmich, Amar Tilmatine
Summary: This study investigates the removal of o-cresol from wastewater using ozonation and adsorption onto sodium natural bentonite (Na-Bent). The results show that the combination of ozonation and Na-Bent adsorption can effectively remove o-cresol and its by-products. Na-Bent exhibits high volume of interlayer micropores and suitable surface chemistry, leading to excellent performance in o-cresol removal.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY
(2023)
Article
Environmental Sciences
J. X. Flores-Lasluisa, D. Salinas-Torres, M. Lopez-Ramon, C. Moreno-Castilla, M. A. Alvarez, E. Morallon, D. Cazorla-Amoros
Summary: The study showed that the calcination temperature of the synthesized MnFe2O4 solid nanospheres significantly influenced their electrocatalytic properties, while the presence of manganese species played a key role in the oxygen reduction reaction activity. Among the tested materials, MSN200/CB and MSN350/CB showed the best electrochemical performances and outstanding stability.
ENVIRONMENTAL RESEARCH
(2022)
Article
Chemistry, Physical
Chahineze Nawel Kedir, D. Salinas-Torres, A. F. Quintero-Jaime, Abdelghani Benyoucef, Emilia Morallon
Summary: In this study, PANI-derived@PSS hydrogel materials were prepared by supramolecular self-assembly and the effects of monomer ratio on their properties were investigated. Various techniques were used to characterize the chemical structure and behavior of the hydrogels. The addition of Vulcan improved the performance of the supercapacitors based on the hydrogels.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Materials Science, Multidisciplinary
Natalia S. Veizaga, Gustavo Mendow, Andres Felipe Quintero-Jaime, Angel Berenguer-Murcia, Sergio de Miguel, Emilia Morallon, Diego Cazorla-Amoros
Summary: The study focuses on the synthesis of mono- and bimetallic Pt-based electrocatalysts for ethanol electrooxidation in acidic media. Incorporation of Re promotes bond breaking of intermediates, while addition of Ir reduces electroactive surface area and decreases electrocatalytic performance.
MATERIALS CHEMISTRY AND PHYSICS
(2022)
Article
Chemistry, Physical
Beatriz Martinez-Sanchez, Javier Quilez-Bermejo, Emilio San-Fabian, Diego Cazorla-Amoros, Emilia Morallon
Summary: Electrochemical functionalization of single-walled carbon nanotubes and herringbone carbon nanotubes (SWCNTs and hCNTs, respectively) with aminophenylphosphonic acid isomers has been successfully achieved. Selectivity and control of the functional species incorporated into the carbon nanotubes were accomplished by optimizing the electrochemical conditions. X-ray photoelectron spectroscopy (XPS) analysis revealed the maximum heteroatom incorporation of nitrogen and phosphorus in the carbon materials. The study also explored the role of SWCNT and hCNT structures in the functionalization process.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Javier Quilez-Bermejo, Emilia Morallon, Diego Cazorla-Amoros
Summary: This study investigates the deactivation mechanism of N-doped carbon materials in the oxygen reduction reaction (ORR) through experiments and computational modeling. It reveals that in both acidic and alkaline environments, graphitic-type nitrogen species deactivate through oxidation and tautomerization reactions, resulting in the formation of N-C-O-type groups, which affect the catalytic activity.
Article
Chemistry, Physical
Javier Quilez-Bermejo, Sara Perez-Rodriguez, Rafael Canevesi, Daniel Torres, Emilia Morallon, Diego Cazorla-Amoros, Alain Celzard, Vanessa Fierro
Summary: This study presents a post-functionalization method to enhance the catalytic properties of carbon materials for the oxygen reduction reaction (ORR) by selectively enriching activated carbons with nitrogen graphitic species. The research provides evidence for the key role of graphitic nitrogen and offers a low-cost and easily feasible synthesis route to improve the catalytic activity of carbon materials.
Article
Chemistry, Physical
Alicia Trigueros-Sancho, Beatriz Martinez-Sanchez, Diego Cazorla-Amoros, Emilia Morallon
Summary: One-step dry ball-milling method was used to prepare different electrocatalysts based on cobalt(II) or iron(II) phthalocyanines supported on commercial carbon materials, without the need for pre-treatment, solvent addition, or post-processing steps. The as-prepared catalysts exhibited improved electrocatalytic performance, and the FePc supported on CNovel showed excellent activity for oxygen reduction reaction in alkaline medium. This study provides a simple and cost-effective approach for catalyst manufacturing through mechanochemistry.
Article
Electrochemistry
Gabriel Alemany-Molina, Beatriz Martinez-Sanchez, Atsushi Gabe, Takeshi Kondo, Diego Cazorla-Amoros, Emilia Morallon
Summary: The interest in conductive boron-doped diamond powder (BDDP) electrodes has increased due to their stability, wide potential window, large specific surface area, and versatility. They are proposed as alternative cathode catalyst supports in fuel cells, especially in automobiles. In this study, different BDDP supports were used with different particle sizes and surface oxygen contents to support different iron species for oxygen reduction reaction. The electrocatalytic performance was influenced by the surface chemistry of the BDDP supports for FePc samples, while the particle size of the BDDP support played a determining role for Fe-C3N4 samples. DFT calculations provided insights into the interaction of FePc with the diamond surface.
ELECTROCHIMICA ACTA
(2023)
Article
Thermodynamics
J. X. Flores-Lasluisa, F. Huerta, D. Cazorla-Amoros, E. Morallon
Summary: LaNi1-xCoxO3 perovskite materials were synthesized for electrochemical reactions involving molecular oxygen. Incorporation of Co induced changes in material surface and improved electrocatalytic activity. Mixing perovskite metal oxides with carbon black enhanced electron transfer and catalytic activity. LaNi0.5Co0.5O3/Vulcan showed high stability and was a suitable bifunctional catalyst for both ORR and OER.
Article
Chemistry, Applied
M. O. Guerrero-Perez, R. Berenguer, M. E. Ford, I. E. Wachs
Summary: This study presents the synthesis of a fibrous carbon supported VPO catalyst. The synthesis method is simple, low-cost, scalable, and reproducible, allowing the formation of the active VPP phase on the carbon support. The stability of the catalyst under different conditions was examined, confirming its potential as a promising catalytic material.
Article
Thermodynamics
C. D. Jaimes-Paez, E. Morallon, D. Cazorla-Amors
Summary: Graphene-based materials were synthesized by electrochemical exfoliation method. Pt nanoparticles were incorporated into the graphene-based material to achieve high dispersion and distribution. The catalyst showed excellent activity, stability, and selectivity in oxygen reduction reaction and hydrogen evolution reaction, outperforming commercial Pt/C catalyst.
Article
Chemistry, Multidisciplinary
Cristian Daniel Jaimes-Paez, Francisco Jose Garcia-Mateos, Ramiro Ruiz-Rosas, Jose Rodriguez-Mirasol, Tomas Cordero, Emilia Morallon, Diego Cazorla-Amoros
Summary: The aim of this study is to determine the Oxygen Reduction Reaction (ORR) activity of self-standing electrospun carbon fiber catalysts obtained from different metallic salt/lignin solutions. Carbon fibers were prepared by electrospinning technique with metallic nanoparticles (Co, Fe, Pt, and Pd) embedded in organosolv lignin. The presence of metals resulted in increased porosity during carbonization, leading to improved accessibility of the electrolyte to active sites. Carbon fibers loaded with 8 wt% palladium showed the best ORR activity with superior dispersion and balanced pore size distribution.
Article
Chemistry, Applied
Beatriz Martinez-Sanchez, Diego Cazorla-Amoros, Emilia Morallon
Summary: In this study, Iron(II) phthalocyanines supported on functionalized nanostructured carbon materials were investigated as electrocatalysts for the oxygen reduction reaction (ORR). The coordination mode of FePc and the structure of CNTs were found to be crucial for the ORR performance, and a novel strategy for developing precious metal-free catalysts for the ORR was proposed.
JOURNAL OF ENERGY CHEMISTRY
(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)