Article
Chemistry, Inorganic & Nuclear
Tian Wen-Yu, Chu Jin-Feng
Summary: Three azide bridged complexes were synthesized using different metal ions connecting modes. Additionally, a copper(II) complex was successfully prepared, and all complexes were characterized and analyzed for their properties.
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Mathias L. L. Skavenborg, Mads Sondrup Moller, Susanne Mossin, T. David Waite, Christine J. J. McKenzie
Summary: Heteroleptic copper complexes of an asymmetrical pincer ligand containing a central anionic sulfonamide donor have been prepared and shown to catalyze the electro-reduction of O2 to H2O2. The addition of a weak organic acid increases the reaction rate and the coulombic efficiency of H2O2 production was determined to be 48% by iodometric titration.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Samim Khan, Tamal Dutta, Miguel Cortijo, Rodrigo Gonzalez-Prieto, Michael G. B. Drew, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay
Summary: Two new dinuclear nickel(II) complexes have been synthesized and characterized, showing moderate ferromagnetic exchange between nickel(II) centers. Antiferromagnetic exchange occurs through the phenoxido bridge and ferromagnetic exchange through the mu(1.1)-azido bridge, with competitive interactions reducing the overall magnetic coupling. The involvement of p orbitals in the magnetic coupling is evidenced by Mulliken population analysis and spin density plots.
Article
Chemistry, Multidisciplinary
Alokesh Hazari, Rosa M. Gomila, Antonio Frontera, Michael G. B. Drew, Ashutosh Ghosh
Summary: Two new trinuclear heterometallic complexes, [(CuL1)(2)Zn(N-3)(mu(1,3)-N-3)]·H2O (1) and [(CuL2)(2)Zn(N-3)(mu(1,3)-N-3)] (2), have been synthesized and characterized. The molecular structures of these complexes are different from their unreduced analogues, 1A and 1B, with differences rationalized through theoretical calculations. The presence of intramolecular spodium bonds and coordination of azide ions play key roles in the structural differences observed between the complexes.
Article
Chemistry, Multidisciplinary
Suwitra Charoensuk, Jing Tan, Mohini Sain, Hathaikarn Manuspiya
Summary: This report presents a significant leap in designing electronic structures that display reversible dual-phase photoluminescence properties from single-crystal hybrid ligand frameworks. The three-dimensional Cu(C3N2H4)(4)Cl-2 complex frameworks show potential for luminescence Cu-based sensors to detect heavy metal ion species using emission intensity.
Article
Chemistry, Inorganic & Nuclear
Mrinmoy Ghosh, Partha Pratim Chakrabarty, Atish Dipankar Jana, Dieter Schollmeyer, Hiroshi Sakiyama, Masahiro Mikuriya, Rakesh Debnath, Paula Brandao, Dasarath Mal, Sandip Saha
Summary: Two copper azido complexes with different azido bridged chain structures and magnetic properties have been synthesized and characterized in this study.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Inorganic & Nuclear
Alena Shlyaykher, Frank Tambornino
Summary: The crystallographic study of [NH4][SeCN] and Ag[SeCN] is presented for the first time. [NH4][SeCN] is a sensitive compound, while Ag[SeCN] is stable under various conditions. The reactivity between them resulted in the formation of [NH4][Ag(SeCN)(2)] and [NH4](3)[Ag(SeCN)(4)]. The characterization of both compounds was performed using various techniques such as single-crystal and powder X-ray diffraction, thermal analysis, and spectroscopy.
INORGANIC CHEMISTRY
(2023)
Article
Engineering, Environmental
Haibo Li, Yanna Wang, Zhenghe Wei, Xiaoming Yang, Linna Liang, Lianghong Xia, Maohao Long, Zhimin Li, Tonglai Zhang
Summary: Exploring alternatives to lead-containing primary explosives has always been a pressing issue in the field of energetic materials. This research synthesized four energetic coordination polymers with fascinating molecular structures confirmed by X-ray single crystal diffraction. The compounds showed tunable ignition performances and sensitivities, with weak interaction effectively improving their stability.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Inorganic & Nuclear
Salman Khursheed, Hifzur R. Siddique, Sartaj Tabassum, Farukh Arjmand
Summary: In this study, a series of complexes were synthesized to investigate the effect of metal ions in analogous ligand scaffolds on DNA binding and cytotoxic response. The copper(II) complex showed the highest anticancer activity among the complexes tested.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Vasily A. Ilichev, Liubov Silantyeva, Anton F. Rogozhin, Artem N. Yablonskiy, Boris A. Andreev, Roman Rumyantsev, Georgy K. Fukin, Mikhail N. Bochkarev
Summary: A new mixed Eu(II)-Cu(I) iodide compound exhibits intense double-peaked photoluminescence upon UV light excitation, with significant changes in relative intensity of peaks with temperature variation, making it a promising luminescent thermometer. Time-resolved PL studies revealed the presence of two luminescent centers excited by electron capture, showing significant changes in peak intensity ratio and relative sensitivity within a specific temperature range.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Markus Joos, Maurice Conrad, Rotraut Merkle, Thomas Schleid, Joachim Maier, Robert E. Dinnebier, Sebastian Bette
Summary: By multiple recrystallization in tetrahydrofuran, Mg(SCN)(2)·4H(2)O can be converted into previously unknown compounds with x = 0, 2 and 4, showing different crystal structures and thermal behaviors. The anisotropic thermal expansion of the phases was observed, with one phase exhibiting both positive and negative thermal expansion coefficients.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Janusz Gregolinski, Katarzyna Slepokura, Julia Ktak, Maciej Witwicki
Summary: In this study, a series of hexanuclear chloride and sulfate Ni(II) and Cu(II) complexes were successfully synthesized from appropriate metal salts and octadecaaza macrocyclic ligands. The obtained coordination compounds were characterized using various methods, including elemental analysis, spectroscopic methods, magnetic measurements, and X-ray crystallography. The X-ray crystal structures revealed different coordination modes of the metal cations in the obtained coordination compounds. The folding conformation of the macrocyclic ligand depended on the number of metal cations bound within the macrocycle. All Ni(II) and Cu(II) coordination compounds exhibited paramagnetic behavior. The magnetic measurements showed that the magnetic behavior of certain complexes was dominated by the magnetic anisotropy of the metal ion, while others revealed small antiferromagnetic interactions within the metal units. The EPR experiments indicated that the predominant contribution to the orbitals occupied by the unpaired electrons in the ground state originated from d(x2-y2) orbitals.
DALTON TRANSACTIONS
(2022)
Article
Biochemistry & Molecular Biology
William Meza-Morales, Yuritzi Alejo-Osorio, Yair Alvarez-Ricardo, Marco A. Obregon-Mendoza, Juan C. Machado-Rodriguez, Antonino Arenaza-Corona, Ruben A. Toscano, Maria Teresa Ramirez-Apan, Raul G. Enriquez
Summary: In this study, the synthesis and characterization of three heterocyclic curcuminoid ligands and their corresponding metal complexes with magnesium and copper were reported. The first N-methyl-2-pyrrole curcuminoid and its Mg(II) complex were newly discovered. The curcuminoid ligands and metal complexes were characterized using various techniques such as infrared spectroscopy, liquid state nuclear magnetic resonance, electron paramagnetic resonance, mass spectrometry, and single crystal X-ray diffraction. The metal complexes of FuranCurc-Mg and ThiopheneCurc-Cu exhibited a strong antioxidant effect and showed significant cytotoxicity against colon cancer adenocarcinoma cell line HCT-15.
Article
Chemistry, Multidisciplinary
Fei-Fei Wang, Jia-Hui Li, Hai-Yan Liu, Shu-Ping Deng, Ying-Ying Liu, Jian-Fang Ma
Summary: Three distinctive coordination polymers were solvothermally synthesized using a resorcin[4]arene ligand. Among them, compound 1 showed efficient and selective catalytic performance, and could be recycled with preservation of its catalytic capability and structural integrity.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Ahmed Mourtada Elseman
Summary: A novel HTM based on silver thiocyanate (AgSCN) was synthesized and characterized for its use in p-i-n perovskite solar cells (PSCs). Thin, conformal AgSCN films were produced using a fast solvent removal approach, enabling quick carrier extraction and collection. The addition of AgSCN improved charge transfer between the HTL and perovskite layer, leading to enhanced performance compared to PEDOT:PSS. Crystallographic discrepancies were observed in the perovskite film, indicating the development of templated perovskite on the surface of AgSCN. With a high open circuit voltage (V-OC) and power conversion efficiency (PCE) of 16.66%, AgSCN-based PSCs show great potential for application in flexible modules or as a front cell in hybrid tandem solar cells.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Inorganic & Nuclear
Franz A. Mautner, Magdalena Traber, Roland C. Fischer, Ana Torvisco, Klaus Reichmann, Saskia Speed, Ramon Vicente, Salah S. Massoud
Article
Environmental Sciences
Jose Augusto Monteiro de Castro Lima, Jerome Labanowski, Marilia Camotti Bastos, Renato Zanella, Osmar Damian Prestes, Jocelina Paranhos Rosa de Vargas, Leslie Mondamert, Eugenie Granado, Tales Tiecher, Mohsin Zafar, Alexandre Troian, Thibaut Le Guet, Danilo Rheinheimer dos Santos
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2020)
Article
Crystallography
Franz A. Mautner, Roland C. Fischer, Bailey R. Williams, Salah S. Massoud, Nahed M. H. Salem
Review
Ecology
Gracieli Fernandes, Marilia Camotti Bastos, Jocelina Paranhos Rosa de Vargas, Thibaut Le Guet, Barbara Clasen, Danilo Rheinheimer dos Santos
Article
Soil Science
Marilia Camotti Bastos, Marilyne Soubrand, Thibaut Le Guet, Eloi Le Floch, Emmanuel Joussein, Michel Baudu, Magali Casellas
Article
Crystallography
Franz A. Mautner, Patricia V. Jantscher, Roland C. Fischer, Ana Torvisco, Klaus Reichmann, Nahed M. H. Salem, Kenneth J. Gordon, Febee R. Louka, Salah S. Massoud
Summary: The synthesis and structural characterization of six dicyanamido-cadmium(II) complexes were reported, showing different dimensional structures and polymerization forms.
Article
Crystallography
Franz A. Mautner, Florian Bierbaumer, Roland C. Fischer, Ramon Vicente, Annia Tubau, Arnau Ferran, Salah S. Massoud
Summary: The four new Pr(III) mononuclear complexes have been synthesized and structurally characterized, showing different coordination numbers and structures. The ancillary chelating bipyridyl ligands greatly enhance the luminescence emission of the complexes through efficient energy transfer to the central Pr3+ ion.
Article
Environmental Sciences
Thibaut Le Guet, Marilia Camotti Bastos, Valentin Robin, Isabelle Bourven, Gilles Guibaud
Summary: This study compared nine extraction methods based on physical and chemical treatments for extracting EPS from sediment. It found that physical methods and CER are preferred for extracting EPS, while chemical methods showed contamination and impurity issues.
Article
Biochemistry & Molecular Biology
Franz A. Mautner, Florian Bierbaumer, Ramon Vicente, Saskia Speed, Annia Tubau, Merce Font-Bardia, Roland C. Fischer, Salah S. Massoud
Summary: A series of mononuclear Ho3+ complexes derived from beta-diketonate anions have been synthesized and characterized. These complexes exhibit a coordination number of 8 for the central Ho3+ ions. The pyridyl adducts show strong luminescence emissions in the visible and near-infrared regions. The magnetic properties of the complexes reveal no field-induced single-molecule magnet behavior.
Article
Chemistry, Inorganic & Nuclear
Franz A. Mautner, Florian Bierbaumer, Ramon Vicente, Saskia Speed, Annia Tubau, Roland C. Fischer, Salah S. Massoud
Summary: This article reports a novel series of polypyridyl adducts and analyzes their optical and magnetic properties. The experimental results show that these compounds have high quantum yields and no saturation at high magnetic fields.
Article
Environmental Sciences
Marilia Camotti Bastos, Danilo dos Santos Rheinheimer, Thibaut Le Guet, Jocelina Vargas Brunet, Elodie Aubertheau, Leslie Mondamert, Jerome Labanowski
Summary: The study evaluated pharmaceutical contamination levels and the presence of resistance genes in biofilms from a South Brazilian watershed. Urban activities and intensive animal breeding were identified as important sources of contamination, with agricultural activities contributing through the transfer of pharmaceuticals from animal waste application. The most contaminated site was located in an urban area, and the quality of the biofilms served as a useful tool for environmental pollution monitoring.
ENVIRONMENTAL MONITORING AND ASSESSMENT
(2023)
Article
Environmental Sciences
Danilo Rheinheimer Dos Santos, Marilia Camotti Bastos, Jose Augusto Monteiro De Castro Lima, Thibaut Le Guet, Jocelina Vargas Brunet, Gracieli Fernandes, Renato Zanella, Osmar Damian Prestes, Leslie Mondamert, Jerome Labanowski
Summary: Spatial-temporal monitoring of pesticides and pharmaceuticals in water was conducted using different matrix choices. The effectiveness of epilithic biofilms, active water sampling, and passive sampler-POCIS were compared. Nine sites with different rural anthropic pressures and untreated urban areas were monitored. Epilithic biofilms were found to be a viable alternative for analyzing pesticides and pharmaceuticals in water sources, especially when combined with POCIS.
JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART B-PESTICIDES FOOD CONTAMINANTS AND AGRICULTURAL WASTES
(2023)
Article
Biochemistry & Molecular Biology
Salah S. Massoud, Febee R. Louka, Madison T. Dial, Nahed N. M. H. Salem, Roland C. Fischer, Ana Torvisco, Franz A. Mautner, Kai Nakashima, Makoto Handa, Masahiro Mikuriya
Summary: Three new tripod tetradentate phenolate-amines were synthesized and characterized, along with seven related published ligands. Various complexes with different structures were synthesized using these ligands and their molecular structures were determined. The magnetic susceptibility study revealed different antiferromagnetic coupling strengths in the complexes.
Article
Chemistry, Inorganic & Nuclear
Franz A. Mautner, Roland C. Fischer, Ana Torvisco, Nahed M. H. Salem, Amber R. Dugas, Shelby F. Aaron, Sushant P. Sahu, Febee R. Louka, Salah S. Massoud
Summary: Six pseudohalide zinc(II) complexes containing various N-donor auxiliary amines were structurally characterized. Most of the complexes exhibited luminescence emission in MeOH with red shift of emission maxima, and Complex 5 showed the strongest visible fluorescence peak at 421 nm (λex = 330 nm).
Article
Chemistry, Inorganic & Nuclear
Sebastian Doniz Kettenmann, Yvonne Nossol, Febee R. Louka, Julia R. Legrande, Elise Marine, Roland C. Fischer, Franz A. Mautner, Vinja Hergl, Nora Kulak, Salah S. Massoud
Summary: The study investigated the synthesis and properties of several five-coordinate Cu(II) complexes and their effects on DNA cleavage and cytotoxicity. Different complexes showed varying levels of activity in DNA cleavage, with 1-ClO4, 3-ClO4, and 5-Cl exhibiting cytotoxicity against A2780 cells.
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)