Article
Geochemistry & Geophysics
Boyoung Song, Elizabeth B. Cerkez, Evert J. Elzinga, Bojeong Kim
Summary: The study observed significant changes in the structural properties of hausmannite due to cobalt substitution, while manganite showed little to no effect. Both minerals exhibited accelerated release of manganese and cobalt in reductive dissolution, with most of the cobalt remaining in the mineral structure. Only hausmannite showed increased oxidation of As(III) to As(V) with increased cobalt substitution.
Article
Chemistry, Physical
Paulo Roberto Garces Goncalves Jr, Heitor Avelino De Abreu, Helio Anderson Duarte
Summary: This study investigates the adsorption mechanism and oxidation process of arsenite and arsenate on hausmannite surfaces using computational methods. Different adsorption sites and the presence of water are found to have a significant impact on the reaction. The findings are important for mitigating the environmental impact of arsenic-rich tailings.
APPLIED SURFACE SCIENCE
(2022)
Article
Geochemistry & Geophysics
Yao Luo, Yi Wang, Lihu Liu, Xiong Yang, Li Wang, Guohong Qiu
Summary: The interaction between Mn2+aq and Hausmannite is influenced by pH, Mn2+aq concentration, and oxygen. Under oxic conditions, the transformation of Hausmannite to Manganite can be catalyzed by adsorbed Mn2+, with the generation rate of Manganite being lowest at neutral pH.
APPLIED GEOCHEMISTRY
(2022)
Article
Engineering, Environmental
Jing Zhao, Yuanfeng Wei, Yufen Xia, Zhimin Wang, Haifang Tang, Minxiong Tan, Xiangxiong Liu, Jinfang Shi, Chengbin Liu
Summary: In this study, a novel oxidation-sorption bifunctional material UiO-66-Cl was successfully developed for efficient removal of highly migratory and toxic As(III) contamination in water. The UiO-66-Cl exhibited high removal efficiency across a broad pH range and was hardly affected by common anions and natural organic matter. The exhausted UiO-66-Cl could be easily regenerated for repeated use.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Maeva Leloire, Philippe Nerisson, Frederique Pourpoint, Marielle Huve, Jean-Francois Paul, Laurent Cantrel, Thierry Loiseau, Christophe Volkringer
Summary: This study reports the capture and immobilization of gaseous RuO4 using a porous metal-organic framework (UiO-66-NH2) for the first time. UiO-66-NH2 exhibits remarkable affinity for RuO4 capture, resulting in the highest RuO4 decontamination factor worldwide. The efficiency of UiO-66-NH2 can be attributed to its pore diameters well adapted for RuO4 capture and its conversion into stable RuO2.
DALTON TRANSACTIONS
(2022)
Article
Environmental Sciences
Shujie Hu, Decheng Xu, Xianglan Kong, Jian Gong, Yu Yang, Yong Ran, Jingdong Mao
Summary: Different treatment conditions were applied to shale kerogen-derived black carbon samples, showing varying effects on nonylphenol adsorption. ZnCl2 activation and oxidation treatments were found to be the most effective, improving understanding of the sorption and desorption mechanisms of NP from modified BCs.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Engineering, Environmental
Shuang Zhang, Wentao Wang, Yurong Liu, Haigang Li, Xionghan Feng, Wenfeng Tan, Mei Hong, Fan Liu, Hui Yin
Summary: This study investigates the effects of nickel ions on the physicochemical properties and reactivities of hausmannite. The synthesized Ni-containing nanocomposites exhibit higher adsorption capacity and larger specific surface areas compared to pure hausmannite. These nanocomposites can quickly remove arsenic from water through oxidation, adsorption, and fixation. Arsenic immobilized on the mineral surfaces forms bidentate binuclear complexes with active Mn/Ni sites.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Article
Geochemistry & Geophysics
Shuang Zhang, Hui Li, Zhongkuan Wu, Jeffrey E. Post, Bruno Lanson, Evert J. Elzinga, Yurong Liu, Haigang Li, Mei Hong, Fan Liu, Hui Yin
Summary: In this study, Co-doped hausmannites were synthesized and characterized to investigate the substitution mechanisms of Co in low valence Mn oxides. The results showed that Co insertion into the mineral structure increased its stability, with Co cations existing in a mixed valence of +3 and +2.
Article
Engineering, Environmental
Juchao Liu, Wanpeng Chen, Xuebin Hu, Hainan Wang, Yijie Zou, Qiang He, Jun Ma, Caihong Liu, Yao Chen, Xiaoliu Huangfu
Summary: The study found that different crystal structured MnO2 have varying adsorption and oxidation reactivity towards Tl(I), with α-MnO2 showing the strongest oxidation ability and β-MnO2 hardly oxidizing Tl(I). Additionally, the sorption of Tl(I) affected the crystallinity of MnO2.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Environmental
Carlos Hern, Heriberto Pfeiffer
Summary: Lithium manganate was synthesized and tested as a possible carbon oxides captor material in different atmospheres, showing excellent CO oxidation and chemisorption properties under reducing conditions. The unique reaction path and intermediate phases were analyzed, showcasing the potential of Li2MnO3 as an efficient CO oxidant and captor in non-oxidative environments.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Environmental Sciences
Shuang Zhang, Hui Li, Zhongkuan Wu, Jeffrey E. Post, Bruno Lanson, Yurong Liu, Biyun Hu, Mingxia Wang, Limei Zhang, Mei Hong, Fan Liu, Hui Yin
Summary: This study investigated the reactivity of cobalt-doped hausmannite with As(III) and As(V), finding that despite decreasing its adsorption capacity for As(V), Co-doped hausmannite could effectively oxidize As(III) to As(V) and adsorb a large amount of As(V) on the mineral surface.
JOURNAL OF ENVIRONMENTAL SCIENCES
(2022)
Article
Chemistry, Physical
E. Annese, A. Ali, J. Barreto, G. Felix, F. Stavale
Summary: This study aims to investigate the relationship between oxide thin-film surface plane and its electronic properties, revealing the sensitivity of 3d orbital occupancy and their intensity ratio to surface orientation, and quantifying the variation of relative 3d occupation as a function of strain using XLD sum rules. These results provide important insights for identifying and further engineering well-defined crystallographic surfaces in various fields of applications.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Ceramics
J. Roque-Rosell, A. Pinto, Carlo Marini, Jose Prieto Burgos, Jesse Groenen, M. Campeny, Ph Sciau
Summary: The XAS analysis of a blue-and-white Ming porcelain's decorations provided insights into the production technology, including the diffusion of Mn and Fe ions during firing and the redox record. By studying the Fe XAS, the Fe3+/Sigma Fe x 100 value in the glaze was determined, confirming the oxidizing conditions during production.
CERAMICS INTERNATIONAL
(2021)
Article
Engineering, Chemical
John-Lee Dubos, Beate Orberger, Julien Banchet, Jean-Michel Milazzo, Simon B. Blancher, Thomas Wallmach, Johannes Luetzenkirchen
Summary: The study found that increasing pressure and water addition within certain ranges can improve the agglomeration of oxide materials, but exceeding a certain pressure can trigger elastic recovery in clay minerals. Additionally, the presence of layered-structure minerals may be key in determining the agglomeration potential of samples.
Article
Environmental Sciences
Yalan Chen, Qiuyun Xu, Ke Sun, Lanfang Han, Haoran Sun, Yan Yang, Zhenyu Wang
Summary: Simulated diagenesis of biochars with different mineral content resulted in changes in properties, with slight improvements in sorption capacity and enhanced long-term stability and ability to immobilize pollutants.
Article
Electrochemistry
P. O. Nikoleishvili, G. S. Tsurtsumiya, V. M. Kveselava, G. G. Gorelishvili, R. R. Kurtanidze, D. T. Sharabidze, D. I. Dzanashvili
RUSSIAN JOURNAL OF ELECTROCHEMISTRY
(2015)
Article
Automation & Control Systems
Jose A. Huidobro, Isabel Iglesias, Belen F. Alfonso, Aranzazu Espina, Camino Trobajo, Jose R. Garcia
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2016)
Article
Chemistry, Multidisciplinary
Alla Dikhtiarenko, Sergei A. Khainakov, Olena Khaynakova, Jose R. Garcia, Jose Gimeno
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
(2016)
Article
Materials Science, Ceramics
Roman Morozov, Igor Krivtsov, Viacheslav Avdin, Zakariae Amghouz, Sergey A. Khainakov, Jose R. Garcia
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2016)
Article
Polymer Science
Alla Dikhtiarenko, Pedro Villanueva-Delgado, Rafael Valiente, Jose R. Garcia, Jose Gimeno
Article
Chemistry, Multidisciplinary
M. Ilkaeva, I. Krivtsov, E. Bartashevich, S. A. Khainakov, J. R. Garcia, E. Diaz, S. Ordonez
Article
Materials Science, Multidisciplinary
D. O. Savinykh, S. A. Khainakov, A. I. Orlova, S. Garcia-Granda
INORGANIC MATERIALS
(2018)
Article
Chemistry, Inorganic & Nuclear
D. O. Savinykh, S. A. Khainakov, A. I. Orlova, S. Garcia-Granda
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2018)
Article
Materials Science, Ceramics
Ma Angeles Tena, Rafael Mendoza, Camino Trobajo, Jose R. Garcia, Santiago Garcia-Granda
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2019)
Article
Chemistry, Analytical
Natalia Kobylinska, Liudmyla Kostenko, Sergey Khainakov, Santiago Garcia-Granda
Article
Materials Science, Ceramics
M. A. Tena, Rafael Mendoza, Camino Trobajo, Jose R. Garcia, Santiago Garcia-Granda
Summary: MgCoxNi1-xSiO4 (0.0 < x < 1.0) solid solutions with an olivine structure were synthesized via the chemical coprecipitation method, and materials with a smaller M(II) (M = Co, Ni) amount than Co2SiO4 and Ni2SiO4 compounds were obtained. The distribution of Co(II) and Ni(II) ions in the solid solutions were found to be random at 1200 degrees C, with a higher occupation of Co(II) and Ni(II) ions in M1 octahedral sites compared to M2 octahedral sites. The preference of Mg(II) ions for M2 sites and the M1-O and M2-O distances jointly explain the pink color of the MgCoxNi1-xSiO4 solid solutions, while Co2SiO4 has a blue color. The presence of tetrahedral Co(II) ions leads to a change in color from pink to green or blue when these solid solutions are enamelled.
CERAMICS INTERNATIONAL
(2023)
Article
Multidisciplinary Sciences
M. A. Tena, Rafael Mendoza, Camino Trobajo, Jose R. Garcia, Santiago Garcia-Granda
Summary: The study investigated the structure and color properties of Ni3-xCuxP2O8 solid solutions, identifying structures related to Ni3P2O8, Ni2CuP2O8, and Cu3P2O8. Structural distortions and color changes were observed with increasing Cu content in the solid solutions.
SN APPLIED SCIENCES
(2021)
Article
Multidisciplinary Sciences
M. A. Tena, Rafael Mendoza, David Martinez, Camino Trobajo, Jose R. Garcia, Santiago Garcia-Granda
SN APPLIED SCIENCES
(2020)
Article
Materials Science, Multidisciplinary
Ievgen Odynets, Sergiy Khainakov, Santiago Garcia-Granda, Roman Gumeniuk, Matthias Zschornak, Natalia Soloviova, Nikolay S. Slobodyanik, Patricia Horcajada, Artem A. Babaryk
JOURNAL OF MATERIALS CHEMISTRY C
(2019)
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)
