Article
Chemistry, Multidisciplinary
Tamas Holczbauer, Dalma Gal, Janos Rohonczy, Eberhard Matern, Ewald Sattler, Petra Bombicz, Zsolt Kelemen, Ilona Kovacs
Summary: Iron(II) complexes containing ligands with a R2P-P-PR2 unit were synthesized via metathesis reactions. The size of the substituents influences the isomer ratio and the binding modes of the triphosphane ligands in the resulting compounds.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Amanda B. Chung, Austin J. Ryan, Ming Fang, Joseph W. Ziller, William J. Evans
Summary: The reductive reactivity of an Ln(II) ion with a nontraditional electron configuration was investigated by studying reactions with various reagents, revealing new bimetallic complexes and their reaction mechanisms.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Svetlana E. Korolenko, Alexey S. Kubasov, Lyudmila Goeva, Varvara V. Avdeeva, Elena A. Malinina, Nikolay T. Kuznetsov
Summary: The study investigated the complexation of zinc(II) and cadmium(II) with the dodecahydro-closo-dodecaborate anion in the presence of azaheterocyclic ligands, revealing significant influence of process parameters on the resulting compounds' composition and structure. The synthesis of mixed-ligand complexes using complex [Cd(DMF)(6)][B12H12] as a precursor was demonstrated, with the characterization of a novel binuclear cadmium(II) complex involving the coordinated dodecahydro-closo-dodecaborate anion through a multicenter M-H(B) bond.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Ganesh S. Hegde, Satish S. Bhat, Sandeep P. Netalkar, Pooja L. Hegde, Avinash Kotian, Ray J. Butcher, Vidyanand K. Revankar
Summary: A series of ligand 3,5-di-tert-butyl-2-hydroxy-N?-((2-oxo-1,2-dihydroquinolin-3-yl)methylene)benzohydrazide and its metal complexes were synthesized and characterized using various techniques. The copper(II) complex showed the best antimicrobial activity, particularly against gram-positive S. Aureus.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Saili Vikram Lokhande, Adish Tyagi, Raymond J. Butcher, Gourab Karmakar, Rohit Singh Chauhan
Summary: Treatment of [PdCl2(dppe)] with thiourea produced partially substituted complex [PdCl(dppe) {SC(NH2)2}]Cl (1a), and with two equivalents of thiourea yielded compound [Pd(dppe){SC(NH2)2}2]2+ (1b). Reaction between [PdCl2(dppe)] and sodium salt of 4,6-dimethylpyrimidine-2-thiol resulted in the formation of cis configured complex [Pd{2-SC4H(4,6-Me)2N2}2(dppe)] (2). The reaction of [PdCl2(dppe)] with 4,6-dimethylpyrimidine-2-thiol, triethyl amine, and thiourea in a 1:1:1 mol ratio afforded a mononuclear heteroleptic complex [Pd{2-SC4HN2(4,6-Me)2}(dppe)]{SC(NH2)2}]Cl (3). The structures of all complexes were characterized using various techniques including elemental analysis, NMR, IR, and UV-vis spectroscopy, with complex [Pd{2-SC4HN2(4,6-Me)2}(dppe)]{SC(NH2)2}]Cl (3) further confirmed by X-ray diffraction.
Article
Chemistry, Multidisciplinary
Adedamola A. Opalade, Imre Labadi, Carlos Gomez-Garcia, Oleksandr Hietsoi, Nikolay Gerasimchuk
Summary: A series of waterless Ni(II) coordination polymers were synthesized by dehydrating hydrated Ni(II) ion complexes and investigating their structural changes.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Applied
Gina Lupascu, Elena Pahontu, Sergiu Shova, Stefania Felicia Barbuceanu, Mihaela Badea, Codruta Paraschivescu, Johny Neamtu, Mihaela Dinu, Robert Viorel Ancuceanu, Doina Draganescu, Cristina Elena Dinu-Pirvu
Summary: The synthesis and characterization of HL and its cobalt, copper, manganese, nickel, palladium, and platinum complexes were investigated using various physico-chemical techniques. The coordination geometries of Ni2+ and Pd2+ were square planar, while that of copper atom was described as tetrahedrally distorted square planar. Toxicity assessment showed that the Mn2+ complex did not exhibit any lethal effect on animal cells.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Chemistry, Physical
G. Vimala, Perumal Rajakumar, P. Vinothkumar, Manoj Mohapatra, Perumal Prabhakaran, Jothinathan Sathiya Savithri, Priya Murugasen
Summary: The organic dispirooxindolopyrrolidine (DOP) crystalline salt was synthesized using methanol and characterized using various techniques to study its molecular structure, elemental composition, crystal perfection, heat capacity, mechanical properties, and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Svetlana E. Korolenko, Alexey S. Kubasov, Nadezhda A. Khan, Lyudmila Goeva, Anatoliy S. Burlov, Lyudmila N. Divaeva, Elena A. Malinina, Varvara V. Avdeeva, Konstantin Yu Zhizhin, Nikolay T. Kuznetsov
Summary: In this study, the complexation of zinc(II) and cadmium(II) with the dodecahydrido-closo-dodecaborate anion [B12H12](2-) in the presence of benzimidazole ligands L-1 and L-2 was investigated. The resulting compounds were characterized and the influence of the metal nature on their composition and structure was determined. Tris-chelate zinc(II) complexes with the [B12H12](2-) anion were isolated, while mixed-ligand complexes with 3c2e (CdHB) bonds between the [B12H12](2-) anion and the cadmium atom were obtained for the first time.
JOURNAL OF CLUSTER SCIENCE
(2023)
Article
Chemistry, Inorganic & Nuclear
Erkan Firinci, Rukiye Firinci, Resul Sevincek, Muhittin Aygun, Muhammet Emin Gunay
Summary: New tridentate pincer ligands and their corresponding Pd(II) complexes were synthesized and characterized. The crystal and molecular structures of two complexes were determined by X-ray diffraction. The Pd(II) complexes exhibited good catalytic activity in the Suzuki-Miyaura coupling reaction.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Maykon Alves Lemes, Jose Antnio do Nascimento Neto, Freddy Fernandes Guimaraes, Lauro June Queiroz Maia, Ricardo Costa de Santana, Felipe Terra Martins
Summary: A cadmium coordination polymer able to convert UV radiation into blue light with high efficiency was studied, and a new blue-light emitter based on its structure with Mn2+ was prepared but did not achieve expected efficiency. The high-efficiency brightness of the literature compound was found to be related to the d(10) closed-shell of cadmium.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Physics, Multidisciplinary
Jingui Xu, Dongzhou Zhang, Sergey N. Tkachev, Przemyslaw K. Dera
Summary: Single-crystal x-ray diffraction (SCXRD) is crucial for studying crystal structures and phase transitions under high pressure. The PX2 program at the GSECARS 13-BM-C beamline offers state-of-the-art experimental capabilities for determining crystal structures under extreme conditions using SCXRD.
MATTER AND RADIATION AT EXTREMES
(2022)
Article
Chemistry, Inorganic & Nuclear
Tomoyo Misawa-Suzuki, Ryoto Ikeda, Ryoya Komatsu, Ryo Toriba, Ryo Miyamoto, Hirotaka Nagao
Summary: Bis(2-pyridylmethyl)ether (bpme) was used as a tridentate ligand coordinated to the cobalt(II) or iron(III) center, leading to the development of new material conversion reaction centers. The study revealed the formation of five-coordinate cobalt(II) complexes and hexa-coordinate iron(III) complexes. In addition, distinctive redox behaviors were observed in organic solvents.
Article
Optics
David Ceddia, Andrew M. Kingston, Daniele Pelliccia, Alexander Rack, David M. Paganin
Summary: Spatial light modulation is important for various applications, and we propose a new method called ghost projection that does not require configurable beam-shaping elements. Instead, this method displaces a single illuminated mask to create specific radiant exposure distributions. We study the effects and limitations of this method and investigate how to adapt it to spatially nonuniform illumination. These findings will help optimize experimental design and achieve practical ghost projection.
Article
Chemistry, Inorganic & Nuclear
Sonia Moreno, Nicola Casati, Maria Rodriguez-Castillo, Miguel Monge, M. Elena Olmos, Jose M. Lopez-de-Luzuriaga
Summary: Thebenzonitrile solvate complex exhibits reversible reorientation and coordination of the benzonitrile molecule to lead upon external stimuli. High-pressure X-ray diffraction studies show 100% conversion without loss of symmetry, which is reversible upon decompression. Variable-temperature X-ray diffraction studies achieve partial coordination. The change in coordination greatly affects the NIR-emissive properties.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Anssi Peuronen, Anni I. I. Taponen, Elina Kalenius, Ari Lehtonen, Manu Lahtinen
Summary: In this study, a coordination cage assembled from Cu3I4- clusters and tripodal cationic N-donor ligands was synthesized and its structure was determined. The cage selectively binds iodide anions in specific regions through ionic interactions, which enables the selective binding of bromomethanes as secondary guest species. This selective binding was confirmed by single-crystal X-ray diffraction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Biochemistry & Molecular Biology
Muhammad Pervaiz, Muti Ur Rehman, Faisal Ali, Umer Younas, Mika Sillanpaa, Rizwan Kausar, Asma A. Alothman, Mohamed Ouladsmane, Mohammad Abdul Mazid
Summary: Cellulose/MoS2/GO nanocomposite was synthesized using a hydrothermal method. The formation of the nanocomposite was confirmed by UV-visible and FTIR spectroscopy, and its particle size and morphology were characterized. The nanocomposite exhibited promising biomolecule protective and photocatalytic potential, making it suitable for environmental remediation.
BIOINORGANIC CHEMISTRY AND APPLICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Shreya Mahajan, Antti Marttinen, Samu Forsblom, Manu Lahtinen
Summary: By reacting with acidic solutions, 16 new anion-mediated supramolecular entities with different molecular structures and geometric forms are obtained, which are assembled by hydrogen bonding.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
J. Mikko Rautiainen, Maryna Green, Minna Mahonen, Jani O. Moilane, Manu Lahtinen, Arto Valkonen
Summary: Halogen bonding interactions were studied in 15 crystalline 3-iodopyridinium systems. Experimental results showed that halogen bonding acts as a secondary intermolecular force in these charged systems, while still maintaining high directionality of interaction. Computational studies validated the experimental data and showed that halogen bond strengths were exaggerated in smaller model systems, but improved agreement between experimental and calculated structures was seen in larger systems. The strength of halogen bonds was found to come second to electrostatic interactions in stabilizing structures, but played a major role in directing the packing of solid-state structures.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Thermodynamics
Yiran Yang, Gang Li, Tao Luo, Mohammed Al-Bahrani, Essam A. Al-Ammar, Mika Sillanpaa, Shafaqat Ali, Xiujuan Leng
Summary: This study aims to predict building energy consumption by using neural networks such as support vector machine, gated recurrent unit, extreme learning machine, long short-term memory, and shuffled frog leaping algorithm as an optimizer. Statistical results indicate that long short-term memory and support vector machine are the best neural networks for cooling and heating load forecast, respectively.
Article
Chemistry, Physical
Pasi Salonen, Joerg A. Schachner, Anssi Peuronen, Manu Lahtinen, Ferdinand Belaj, Nadia C. Moesch-Zanetti, Ari Lehtonen
Summary: The use of dioxidomolybdenum(VI) and -tungsten(VI) complexes supported by different aminobisphenolato ligands as pre-catalysts in alkene epoxidation has been established, but these complexes have shown modest activity at standard 1 mol-% catalyst loadings. The introduction of amide functionalities in the ligand design has been found to enhance the catalytic activity. Furthermore, a dilution effect was discovered, allowing for significantly reduced pre-catalyst loadings without a significant decrease in activity, and the [pre-catalyst]:[oxidant] molar ratio was found to be critical for optimal catalytic performance.
MOLECULAR CATALYSIS
(2023)
Article
Horticulture
Mervat A. Ali, Samir G. Farag, Mika Sillanpaa, Saleh Al-Farraj, Mohamed E. A. El-Sayed
Summary: The addition of superabsorbent polymers (SAPs) to soil improves soil properties and increases plant yields. The goal of the study was to investigate the effectiveness of SAPs in reducing mineral fertilizer usage and producing high-quality grapes. The study was conducted in a private vineyard in Egypt over three seasons and found that increasing the amount of applied polymer significantly enhanced bud burst, growth parameters, nutrient content, and yield.
Article
Chemistry, Physical
Abir Melliti, Murat Yilmaz, Mika Sillanpaa, Bechir Hamrouni, Radek Vurm
Summary: In this study, low-cost activated carbon (AC-DPF) made from date palm fiber waste was used to remove lead and copper from water systems. AC-DPF had a large surface area and high adsorption capacity, with removal efficiencies of 92% for Pb(II) and 80% for Cu(II). The adsorption kinetics and thermodynamics of AC-DPF were investigated, and competitive and antagonistic effects were observed in the multicomponent system. Overall, AC-DPF showed great potential as a highly promising, effective, and feasible adsorbent for heavy metal removal.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Inorganic & Nuclear
Anssi Peuronen, Henri Kivela, Pasi Salonen, Ville Eskonen, Marta Karman, Manu Lahtinen, Grzegorz Romanowski, Ari Lehtonen
Summary: Dioxidomolybdenum(VI) compound [MoO2Cl2(dmso)(2)] reacts with a chiral tetradentate O3N-type L-alanine bisphenol ligand precursor (Et3NH)H2Lala to form an oxidochloridomolybdenum(VI) complex [MoOCl(L-ala)] (1) as two separable geometric isomers with phenolate groups in cis or trans positions. The single crystal X-ray and NMR analyses of cis- and trans-1 reveal that the complexes are formed of monomeric molecules, in which the ligand has a tetradentate coordination through three oxygen donors and one nitrogen donor. The reaction of Na2MoO4 center dot 2H(2)O with the same ligand precursor in an acidic methanol solution leads to the formation of an anionic dioxido complex (Et3NH)[MoO2(L-ala)] (2) with a trans coordination of the tetradentate ligand. Trans-1 and 2 were studied as active catalysts for olefin epoxidation: i.e. styrene, cyclohexene, S(-)-limonene and (-)-alpha-pinene using H2O2 and tBuOOH as oxidants.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Analytical
Shilpi Verma, Mamleshwar Kumar, Ramanpreet Kaur, Praveen Kumar, Mika Sillanpaa, Urska Lavrencic Stangar
Summary: This study analyzed the combustion and pyrolysis behaviors of PTA wastewater sludge and observed reaction orders, exothermic reactions, and auto gasification. The sludges were found to be promising for energy recovery due to their high calorific values. The experimental results were successfully validated using an artificial neural network model.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Engineering, Environmental
Jingyao Zhang, Jiadong Liu, Bo Gao, Mika Sillanpaa, Jin Han
Summary: This study utilized biochar produced from dehydrated excess sludge to catalytically ozonate pollutants from landfill leachate. The biochar contained necessary catalytic sites originating from inorganic metals and organic matters in the sludge. These sites promoted the generation of reactive oxygen species and the removal rates of pollutants were enhanced by the synergistic interaction between microorganisms. The study provides insight into the mechanism of catalytic ozonation and offers a new approach for practical landfill leachate treatment.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Engineering, Environmental
Jessy Joseph, Ari Vaisanen, Ajay B. Patil, Manu Lahtinen
Summary: Efficient and environmentally friendly porous hybrid adsorbent beads have been developed for the removal of arsenic from drinking water. The structural tuning of the adsorbents has been shown to have a significant impact on their adsorption performance, with high crystallinity leading to increased adsorption capacity and selectivity towards As5+.
JOURNAL OF HAZARDOUS MATERIALS
(2024)
Review
Engineering, Civil
B. K. Pandey, C. Shukla, M. Sillanpaeae, S. K. Shukla
Summary: The aim of this study was to evaluate the global research trends in the application of electrokinetics in soil stabilization and remediation. A total of 1562 articles published from 1960 to 2022 were analyzed using the Scopus database. The results show that publication output has significantly increased in the last 5 years, with China, USA, Spain, and South Korea being the top contributing countries.
INNOVATIVE INFRASTRUCTURE SOLUTIONS
(2023)
Article
Engineering, Chemical
Shabnam Ahmadi, Soumya Ghosh, Alhadji Malloum, Mika Sillanpaa, Chinenye Adaobi Igwegbe, Prosper E. Ovuoraye, Joshua O. Ighalo
Summary: Molecular modelling and simulation were used to investigate the removal of amoxicillin (AMX) from water using iron nanoparticles (Fe3O4-NPs). The optimal conditions for adsorption were determined. The results showed that AMX molecules have high chemical potential and electrophilicity index, making them reactive. The adsorption of AMX onto Fe3O4-NPs was highly efficient under optimal conditions of pH 3, dosage of 0.5 g/L, AMX concentration of 60 mg/L, and a contact time of 60 min. Langmuir isotherm and pseudo-second-order kinetics provided the best fit to the adsorption data.
INDIAN CHEMICAL ENGINEER
(2023)
Article
Chemistry, Physical
Ida Mattsson, Johanna Majoinen, Manu Lahtinen, Thomas Sandberg, Anna Fogde, Tiina Saloranta-Simell, Orlando J. Rojas, Olli Ikkala, Reko Leino
Summary: Conformational rigidity plays a crucial role in the self-assembly and liquid crystallinity of block molecules. The stereochemistry of carbohydrate-based assemblies is an important parameter to be considered in material design.
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)
