Article
Chemistry, Organic
Isuru M. Jayalath, Madelyn M. Gerken, Georgia Mantel, C. Scott Hartley
Summary: The study investigates the impact of carbodiimide-induced geometry changes in a chemically fueled system, inspired by nucleotide-induced conformational changes in motor proteins. The results show that the efficiency, maximum concentration, and lifetime of the system are significantly influenced by steric hindrance and electronic effects of the substituents.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Mark Tristan J. Quimque, Adrian D. Go, Justin Allen K. Lim, Warren S. Vidar, Allan Patrick G. Macabeo
Summary: The study identified two new compounds, 7i and 7m, which showed promising inhibitory activity against Mycobacterium tuberculosis, especially 7m with better DNA gyrase inhibition. These compounds have the potential to be new anti-tuberculosis drugs.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Rongchen Yang, Swathi Suresh, Ramaiyan Velmurugan
Summary: The aim of this study was to synthesize an aryl ester compound and evaluate its activity on prostate cancer cells. The results showed that the compound exhibited cytotoxic effect on PC3 cells and exerted anticancer activity through inducing apoptosis and cell cycle blockade.
APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY
(2023)
Article
Chemistry, Medicinal
Milena M. Petrovic, Cornelia Roschger, Kevin Lang, Andreas Zierer, Milan Mladenovic, Snezana Trifunovic, Boris Mandic, Milan D. Joksovic
Summary: Novel quinoline-4-carboxylic acid-chalcone hybrids were synthesized and showed inhibitory activity against human dihydroorotate dehydrogenase (hDHODH) and cytotoxic activity against A375 cells.
ARCHIV DER PHARMAZIE
(2023)
Article
Chemistry, Multidisciplinary
Sanjeev Rachuru, Jagannadham Vandanapu
Summary: This article provides a simple mathematical approach to study the sp2 character of the carbons in cyclobutane and its ability to transmit substituent effect through pi-conjugation. The Hammett reaction constants (rho) of the dissociation equilibriums of cinnamic acids, 2-(3 or 4-X-phenyl)cyclobutane-1-carboxylic acids, and 3-phenylpropionic acids are compared. The results demonstrate that the substituent effect in 2-(3 or 4-X-phenyl)cyclobutane-1-carboxylic acids is 18% as effective as cinnamic acids.
JOURNAL OF CHEMICAL SCIENCES
(2023)
Review
Chemistry, Organic
Zhongqiang Wang, Ling Zhao, Xueqing Mou, Yongzheng Chen
Summary: This paper reports the progress and methods of enzymatic oxidation of quinoline and its analogues, including whole cell and isolated enzyme-based transformations, as well as protein engineering approaches to tune site selectivity of enzymatic transformation.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Tomislav Balic, Marta Pockaj, Zora Popovic
Summary: Investigation of strong hydrogen bonds in crystal engineering is extensively used for novel pharmaceutical co-crystals and ionic compounds. A novel Zn(II) binuclear complex with 4-hydroxyquinoline-2-carboxylic acid as a ligand was prepared and characterized. The compound exhibited strong O-H...O-hydrogen bond interactions and high lattice energy.
Article
Chemistry, Physical
Burcu Copcu, Koray Sayin, Duran Karakas
Summary: The study investigated ortho- and para-substituent arylboronic acid, analyzing their geometric structure, structural properties, IR and NMR spectra, spectral characterizations, frontier molecular orbitals, molecular electrostatic potential, and non-linear optical properties. It was found that B3 is the best NLO material for applications.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Miguel Angel Fernandez-Gonzalez, Luis Manuel Frutos
Summary: Controlling the thermochemistry and kinetics of chemical reactions is a central problem in chemistry, with the substituent effect being a remarkable control factor. This study develops a model to explain the influence of substituents on the potential energy surface of substrates, showing that substituents exert forces on nuclei and lead to energy variations along specific reaction pathways. The model accounts for the Hammett equation, providing a non-empirical scale for sigma and rho constants related to the forces exerted by substituents and reaction path length.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Tahereh Shojazadeh, Leila Zolghadr, Sajjad Gharaghani, Saeed JafarKhani, Fatemeh Molaabasi, Hossein Piri, Nematollah Gheibi
Summary: The inhibitory effects of ferulic and chlorogenic acids on tyrosinase activity were studied through various spectroscopic and molecular docking techniques. These flavonoid compounds showed reversible and competitive inhibition against the monophenolase activity of tyrosinase, with ki values of 6.8 and 7.5 mu M respectively. The addition of fatty acids to the solution decreased the affinity between tyrosinase and L-DOPA. Multiple spectroscopic techniques confirmed intrinsic fluorescence quenching and conformational changes in tyrosinase due to hydrophobic interaction. Ferulic and chlorogenic acids had two and three binding sites with binding constants on the order of -6.8 and -7.2 kcal/mol. The study also demonstrated changes in secondary structure, thermodynamic parameters, and highlighted the potential applications of these compounds in the food and drug industries.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Crystallography
Chun-Yan Zhang, Xu-Liang Nie, Guo-Ping Huang, Yuan-Zhen Xiong, Jian-Ping Huang
Summary: The crystal structure of the compound is monoclinic, with lattice parameters a = 5.1342 Å, b = 9.6478 Å, c = 27.192 Å, β = 95.42°, volume is 1340.9 Å^3, and there are 4 molecules in the unit cell.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2021)
Article
Chemistry, Applied
A. M. R. Ramirez, F. Mieres, F. Pineda, P. Grez, C. Heyser
Summary: Poly (indole-5-carboxylic acid) (5-PICA), Poly (indole-6-carboxylic acid) (6-PICA), and Poly (indole-7-carboxylic acid) (7-PICA) were electrochemically deposited onto AISI304 stainless steel. The morphology and structure of the polymer were characterized using IR spectroscopy and SEM. The corrosion protection performance was evaluated using LSV and EIS in sulfuric acid solution at different temperatures. The results showed that the morphology and branching structure of the polymer had a significant influence on its hydrophobicity and corrosion protection ability.
PROGRESS IN ORGANIC COATINGS
(2022)
Article
Chemistry, Medicinal
Kevin M. Lefrancois-Gagnon, Robert C. Mawhinney
Summary: This study relates substituent descriptors to proxies and finds that these descriptors contain similar information to the proxies while being intrinsic and predictable substituent properties. Sources of error include transferability, experimental accuracy, and solvation issues.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Materials Science, Ceramics
Rahim Jahandideh, Aliasghar Behnamghader, Saeed Hesaraki
Summary: The use of liquid phase additives improves the properties of calcium phosphate cements. TTCP and alpha-TCP particles were synthesized and mixed with chondroitin sulfate and various additives to prepare apatite cements. XRD and DSC experiments were used to investigate the formation of hydroxyapatite, raw material consumption, and cementation process. The use of phosphate salt additives showed better results in terms of hydroxyapatite formation, compressive strength, hardening, setting, and cytotoxicity.
CERAMICS INTERNATIONAL
(2023)
Article
Biotechnology & Applied Microbiology
Takashi Ohashi, Kenji Sugimoto, Yoshikatsu Sasaki, Masashi Hisamoto
Summary: Chloroethenes, commonly used as solvents in industries, have negatively affected human health due to spillage into soil and groundwater. This study demonstrates the bioremediation of chloroethene-contaminated soil using wine pomace extract (WPE) which promotes anaerobic degradation of chloroethenes.
BIORESOURCES AND BIOPROCESSING
(2023)
Article
Biochemistry & Molecular Biology
Aleksandra Grzelakowska, Julia Modrzejewska, Jolanta Kolinska, Marcin Szala, Monika Zielonka, Karolina Debowska, Malgorzata Zaklos-Szyda, Adam Sikora, Jacek Zielonka, Radoslaw Podsiadly
Summary: A new water-soluble and cationic boronate probe (CI-Bz-BA) based on a coumarin-imidazolium scaffold for the fluorescent detection of ONOO- in cells was developed. The probe reacts stoichiometrically with ONOO- to form major phenolic product CI-OH and minor nitrated product CI-Bz-NO2, which were not formed by other oxidants tested. Detection of endogenously produced ONOO- was demonstrated using the probe in RAW 264.7 cells through fluorescence measurements and liquid chromatography/mass spectrometry analyses.
FREE RADICAL BIOLOGY AND MEDICINE
(2022)
Article
Chemistry, Applied
Zhoveta Yhobu, Geetha Basappa Markandeya, Jan Grzegorz Malecki, Hosapalya Thimmaiah Srinivasa, Rangappa S. Keri, Doddahalli Hanumantharayudu Nagaraju, Mohammad Azam, Saud Al-Resayes, Srinivasa Budagumpi
Summary: This study demonstrates the first use of pyridine-functionalized NHC gold(I) binuclear metallacycles with aptly designed ligand field as electrocatalysts for the oxygen evolution reaction. The results show that these gold(I) binuclear metallacycles can serve as suitable electrocatalysts for the oxygen evolution reaction.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Food Science & Technology
Bartosz G. Solowiej, Maciej Nastaj, Jagoda O. Szafranska, Konrad Terpiowski, Jan Malecki, Stanisslaw Mleko
Summary: Research shows that whey protein microcoagulates can replace fat in processed cheese, increasing hardness and viscosity. They have potential as a fat replacer in processed cheese.
INTERNATIONAL DAIRY JOURNAL
(2022)
Article
Chemistry, Inorganic & Nuclear
B. M. Geetha, Zhoveta Yhobu, V Monica, Jan Grzegorz Malecki, D. H. Nagaraju, Mohammad Azam, Saud Al-Resayes, Srinivasa Budagumpi
Summary: The design and systematic investigation of electrocatalysts are crucial in developing catalysts for various applications. This study focuses on the development of molecular catalysts for the hydrogen evolution reaction (HER) using N-heterocyclic carbene (NHC) metal complexes. The electrocatalytic performance of binuclear metal-NHC complexes was evaluated, and their structures were confirmed by single-crystal X-ray diffraction.
JOURNAL OF COORDINATION CHEMISTRY
(2022)
Article
Chemistry, Physical
Sonia Kotowicz, Mateusz Korzec, Jan Grzegorz Malecki, Sylwia Golba, Mariola Siwy, Sebastian Mackowski, Ewa Schab-Balcerzak
Summary: In this research, six novel unsymmetrical imino-1,8-naphthalimides (AzNI) were synthesized and characterized. The compounds exhibited thermal stability and showed different emission colors in solution and in the solid-state. The electrochemical analysis revealed their reduction and oxidation processes.
Article
Chemistry, Applied
Marcin Szala, Julia Modrzejewska, Aleksandra Grzelakowska, Jolanta Kolinska, Radoslaw Michalski, Angelika Artelska, Adam Sikora, Radoslaw Podsiadly
Summary: Multiple studies have shown that reactive oxygen and nitrogen species (RONS) play a role in tumor formation through redox signaling. This study reports the synthesis of new luciferin-based probes for the detection of nitroxyl. The probes showed reactivity and selectivity towards nitroxyl, and can be used for bioluminescence imaging in luciferase-transfected cells.
Article
Energy & Fuels
Geetha Basappa Markandeya, Zhoveta Yhobu, Jan Grzegorz Malecki, Doddahalli H. Nagaraju, Virupaxappa S. Betageri, Srinivasa Budagumpi
Summary: This study investigates the electrocatalytic performance of palladium complex-based carbon composites derived from functionalized N-heterocyclic carbenes (NHCs) for the hydrogen evolution reaction (HER) in an acidic medium. The results show that the developed electrocatalysts exhibit improved charge transfer resistance and lower overpotential compared to palladium-NHC complexes. Furthermore, these electrocatalysts demonstrate excellent stability for up to 10 hours with minimal efficiency decrease, as confirmed by post-stability linear sweep voltammetry analysis, indicating intact structural and molecular properties.
Article
Chemistry, Physical
K. N. Brinda, Zhoveta Yhobu, Jan Grzegorz Malecki, Rangappa S. Keri, R. Geetha Balakrishna, D. H. Nagaraju, Srinivasa Budagumpi
Summary: An organized strategy is revealed to control steric and electronic parameters of N-heterocyclic carbene (NHC) Ag (5-10), Au (11/12), and Ni (13/14) complexes as molecular electrocatalysts for the hydrogen evolution reaction (HER) from water. The films of complexes 10, 13, and 14 exhibited improved activity with low overpotential and high current density. The durability test showed a lower decay rate for complexes 10 and 14 after 200 cycles.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Inorganic & Nuclear
Pennamuthiriyan Anandaraj, Rengan Ramesh, Jan Grzegorz Malecki
Summary: A sustainable synthetic method for substituted benzimidazoles was reported via acceptorless de-hydrogenative coupling of primary alcohols using palladium catalysts. New non-classical Pd(II) N boolean AND N boolean AND S pincer complexes (1-3) were synthesized and characterized. The complexes exhibited distorted square planar geometry, confirmed by single-crystal X-ray diffraction study. The reaction showed high efficiency with 94% isolated yield and only 1% catalyst loading, generating aldehyde intermediate, hydrogen, and water as the only byproducts.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Ramya Prabaharan, Ramesh Rengan, Sathiya Kamatchi Thangavel, Jan Grzegorz Malecki
Summary: To evaluate the effectiveness of nickel complexes as low side effect anticancer drug candidates, a study was conducted to synthesize these complexes enriched with three derivatives of carbazolone-based benzhydrazone ligands(L). The synthesized Ni(II) complexes were characterized using analytical and spectral techniques, and the cytotoxicity of the complexes against cervical carcinoma, colon carcinoma, and fibroblast cells was determined using the MTT assay. Complex 4, containing a -OCH3 fragment, showed high lipophilicity and demonstrated exceptional cytotoxicity against cancer cells. Mechanistic studies revealed that complex 4 induces apoptotic cell death through elevated ROS levels, reduced MMP, and mitochondrial dysfunction.
Article
Biochemistry & Molecular Biology
Jolanta Kolinska, Aleksandra Grzelakowska, Marcin Szala, Radoslaw Podsiadly
Summary: Novel fluorescent probes based on 2(1H)-quinolone skeleton containing a malonate group were synthesized and proposed for biothiols detection. The detailed photophysical properties of these compounds were assessed through various spectroscopic techniques. The compounds Q1-Q3 showed an increase in fluorescence intensity and a hypsochromic shift in their emission bands in the presence of biothiols, while the compound Q4 exhibited fluorescence quenching in the presence of biothiols and cyanide ion and fluorescence turn on effect towards reactive sulfur species.
Article
Chemistry, Multidisciplinary
Liguang Gan, Tianhao Xu, Qihang Tan, Mengjie Cen, Lingling Wang, Jingwei Zhao, Kuang Liu, Long Liu, Wen-Hao Chen, Li-Biao Han, Jacek E. Nycz, Tieqiao Chen
Summary: In this manuscript, a novel and practical phosphorylating reaction is described, which can selectively convert carboxylic acids into compounds containing the P-C-O-P motif and benzyl phosphorus compounds. This strategy provides a new route for efficient synthesis of the corresponding value-added organophosphorus compounds with high chemo-selectivity and wide substrate scope. Moreover, the reaction also indicates a new strategy for converting carboxylic acids into alkenes. This new mode of transforming carboxylic acids is expected to find wide application in chemical synthesis.
Article
Chemistry, Inorganic & Nuclear
Arunachalam Abirami, Umapathy Devan, Rengan Ramesh, Arockiam Antony Joseph Velanganni, Jan Grzegorz Malecki
Summary: This study synthesized six arene ruthenium(ii) complexes and evaluated their inhibitory effects on breast cancer cells. The complexes exhibited good antiproliferative activities by inducing apoptotic cell death through an intrinsic mitochondrial pathway.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Ottoor Anitha, Janardhanan Aiswarya, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Jan Grzegorz Malecki, Balasubramanian Murugesapandian
Summary: A multifunctional compound was developed as an effective tool for the dual-mode fluorescent turn-on detection of Al3+ and Zn2+ ions. The compound exhibited different fluorescence colors at different wavelengths and showed good selectivity and sensitivity towards the target ions. The compound also demonstrated reversible switching characteristics upon reaction with the ions and was successfully employed in constructing a logic gate.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Applied
Valentina Minaeva, Alexandr Panchenko, Nataliya Karaush-Karmazin, Jacek E. Nycz, Boris Minaev
Summary: This paper presents a Hirshfeld surfaces analysis of crystalline 2- and 4-methylmethcathinone hydrochlorides to study the NH⋅Cl and CH⋅⋅⋅Cl interactions and confirm the formation of N-+(2)-Cl- salt fragment in the crystals. The IR spectra of the crystalline samples were modeled using density functional theory and the B3LYP/6-31G(d,p) approach. The assigned IR bands in the experimental spectra of the standard crystal samples provide important insights for forensic problem solvation and show the existence of intermolecular interactions between NH+2 and Cl- ionic moieties in both samples.
BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY
(2023)
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)
