Article
Geochemistry & Geophysics
Lei Kang, Shun-ichiro Karato
Summary: The solubility of hydrogen in olivine and orthopyroxene under water-saturated conditions was investigated. The results showed that the solubility of hydrogen increased with pressure and temperature in both minerals. The partition coefficient of hydrogen between orthopyroxene and olivine was calculated based on these observations, and it was found to depend weakly on temperature but strongly on pressure and water fugacity. The distribution of hydrogen between the two minerals has important implications for the bulk properties of the lithosphere and asthenosphere.
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
(2023)
Article
Geochemistry & Geophysics
Ben-Xun Su, Jing Wang, Meng-Meng Cui, Yong Wu, Kwan-Nang Pang, Sanjeewa P. K. Malaviarachchi, P. L. Dharmapriya
Summary: This study investigates element partitioning and Li-O isotope fractionation between silicate minerals and carbonatite melts at variable levels from mantle to crust. The results show that element partitioning is highly temperature- and pressure-dependent and can be used to evaluate carbonatite metasomatism and evolution.
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
(2022)
Article
Geochemistry & Geophysics
L. M. Saper, M. B. Baker, E. M. Stolper
Summary: This study explores the compositional dependence of the Fe2+-Mg olivine-liquid exchange coefficient under low-oxygen fugacity conditions. Multiple gas-mixing experiments were conducted using different compositions and temperatures. The results show that the exchange can be described using two parameters: the SiO2 content of the liquid and the coexisting olivine composition. By combining experimental data with a literature compilation, a comprehensive dataset was created for calculating the composition of coexisting olivine.
CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
(2022)
Article
Mineralogy
Keiji Shinoda, Keita Onoue, Yasuhiro Kobayashi
Summary: The intensity tensor and electric field gradient tensor for Fe2+ doublets at the M2 sites in two enstatites with the orthorhombic system were determined using single crystal Mossbauer spectroscopy. The study found that the intensity tensor components had a weak dependence on the ferrosilite component of enstatite. Additionally, the intensity tensor due to Mossbauer nuclei at general positions can be simplified by using the symmetrical constraint.
JOURNAL OF MINERALOGICAL AND PETROLOGICAL SCIENCES
(2023)
Article
Engineering, Petroleum
S. G. Kovalev, S. S. Kovalev
Summary: The article analyzed the chemical composition of silicates and aluminosilicates in the Misaelga complex, using calculation methods to determine thermobaric parameters of melt crystallization. High-temperature intratelluric olivine crystals and olivine crystallized under intermediate chamber conditions were identified, along with variations in crystallization temperatures of other minerals. Modeling indicated that the differentiated body of the Misaelga complex likely formed through directional crystallization and gravitational deposition of olivine.
Article
Spectroscopy
A. A. Maksimova, E. V. Petrova, A. V. Chukin, B. A. Nogueira, R. Fausto, A. Szabo, Z. Dankhazi, I. Felner, M. Gritsevich, T. Kohout, E. Kuzmann, Z. Homonnay, M. I. Oshtrakh
Summary: The Bjurbole L/LL4 ordinary chondrite was studied using various analytical techniques, revealing that its composition is similar to the LL group of ordinary chondrites, with higher contents of forsterite and enstatite. Additionally, the magnetic properties of chromite, as well as the hyperfine parameters of iron in different components, were determined.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
S. P. Naumov, N. Mushnikov, P. B. Terentev, M. Oshtrakh, N. M. Kleinerman
Summary: This study investigates the nature of the magnetostructural phase transition in Ce(Fe1-xSix)(2) compounds with low silicon content, revealing the presence of at least two different types of local surrounding of Fe atoms in CeFe2 and non-random Si distribution in the Ce(Fe1-xSix)(2) crystal structure. The experimental data is compared with mathematical simulations to determine the type of ordering of Si atoms and draw conclusions on the mechanism of the magnetostructural phase transition.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Geochemistry & Geophysics
A. A. Maksimova, D. A. Zamiatina, D. A. Zamyatin, A. D. Ryanskaya, A. Chukin, M. Oshtrakh
Summary: This study examined the iron-bearing phases in the impact melt rock from Janisjarvi astrobleme using various techniques, including optical microscopy, electron probe microanalysis, Raman spectroscopy, X-ray diffraction, and Fe-57 Mossbauer spectroscopy. The results revealed the composition and elemental contents of the impactite, as well as the presence of different iron microenvironments in the iron-bearing phases.
METEORITICS & PLANETARY SCIENCE
(2022)
Article
Chemistry, Physical
M. V. Ushakov, V. D. Nithya, N. Rajeesh Kumar, S. Arunkumar, A. V. Chukin, R. Kalai Selvan, M. I. Oshtrakh
Summary: Magnesium ferrite nanoparticles were synthesized using the solution combustion method. The effect of fuel concentration on the spectroscopic, structural, and magnetic properties of MgFe2O4 was investigated. The results showed that increasing the fuel amount led to a decrease in crystallite size and an increase in lattice strain, dislocation density, and specific surface area. The study also revealed that the number and parameters of magnetic sextets assigned to different sites varied slightly with different fuel concentrations.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Erno Kuzmann, Sandor Stichleutner, Libor Machala, Jiri Pechousek, Rene Vondrasek, David Smrcka, Lukas Kouril, Zoltan Homonnay, Michael I. Oshtrakh, Andras Mozzolai, Vladimir A. Skuratov, Matyas Kudor, Bence Herczeg, Lajos Karoly Varga
Summary: This study investigated the effect of swift heavy ion irradiation on stress-annealed FINEMET samples using Fe-57 transmission and conversion electron Mossbauer spectroscopy as well as XRD. The results showed that irradiation caused changes in the magnetic anisotropy of the FINEMET alloy ribbons, both in the bulk and at the surface.
Review
Chemistry, Multidisciplinary
Irina Alenkina, Michael Ushakov, Paulo C. Morais, Ramakrishan Kalai Selvan, Erno Kuzmann, Zoltan Klencsar, Israel Felner, Zoltan Homonnay, Michael Oshtrakh
Summary: This review describes the long-term experience of applying Mossbauer spectroscopy with high velocity resolution in the study of various nanosized and nanostructured iron-containing materials. The results show that high velocity resolution Mossbauer spectroscopy allows for more information extraction and spectral component analysis compared to conventional Mossbauer spectroscopy.
Article
Geochemistry & Geophysics
M. V. Goryunov, G. Varga, Z. Dankhazi, I. Felner, A. V. Chukin, E. Kuzmann, Z. Homonnay, V. I. Grokhovsky, M. I. Oshtrakh
Summary: Gibeon IVA iron meteorite fragment was characterized using various techniques including optical microscopy, SEM with EDS, XRD, magnetization measurements, and Mossbauer spectroscopy. The findings reveal the presence of different iron-nickel-cobalt phases and plessite structures in the meteorite. The composition and magnetic properties of these phases were analyzed, providing valuable insights into the formation and cooling history of the meteorite.
METEORITICS & PLANETARY SCIENCE
(2023)
Review
Geochemistry & Geophysics
Michael V. Goryunov, Alevtina A. Maksimova, Michael I. Oshtrakh
Summary: Research has found that using Mossbauer spectroscopy with a high velocity resolution can provide higher quality spectral data and analyze more reliable compounds in meteorites compared to conventional techniques. This is significant for studying the formation and evolution of the Solar System and understanding the effects of extreme space conditions on meteorites.
Proceedings Paper
Physics, Atomic, Molecular & Chemical
Michael I. Oshtrakh, Irina V. Alenkina, Andrey V. Chukin, Erno Kuzmann, Zoltan Homonnay
Summary: Two commercial pharmaceutical products containing ferrous sulfate, Tardyferon (R) and Fenules (R), were studied using X-ray diffraction and Mössbauer spectroscopy. The results showed that both products contain iron compounds, including FeSO4·xH2O and FeSO4·4H(2)O in Tardyferon (R), and possibly two FeSO4·xH2O compounds with slight variations in the iron local microenvironments in Fenules (R). However, Fenules (R) did not contain the water free ferrous sulfate as claimed by the manufacturer.
HYPERFINE INTERACTIONS
(2023)
Proceedings Paper
Physics, Atomic, Molecular & Chemical
Michael I. Oshtrakh, Alevtina A. Maksimova, Evgeniya V. Petrova, Andrey V. Chukin, Israel Felner
Summary: The variations in iron-bearing phases, magnetization, and temperature distribution in the bulk interior and fusion crust of the studied meteorites were analyzed using XRD, Mossbauer spectroscopy, and magnetization measurements.
HYPERFINE INTERACTIONS
(2023)
Meeting Abstract
Geochemistry & Geophysics
M. V. Goryunov, G. Varga, Z. Dankhazi, I. Felner, A. V. Chukin, E. Kuzmann, Z. Homonnay, V. I. Grokhovsky, M. I. Oshtrakh
METEORITICS & PLANETARY SCIENCE
(2023)
Meeting Abstract
Geochemistry & Geophysics
A. A. Maksimova, A. V. Chukin, M. I. Oshtrakh
METEORITICS & PLANETARY SCIENCE
(2023)
Meeting Abstract
Geochemistry & Geophysics
E. V. Petrova, A. A. Maksimova, A. V. Chukin, I. Felner, M. I. Oshtrakh
METEORITICS & PLANETARY SCIENCE
(2023)
Meeting Abstract
Geochemistry & Geophysics
A. A. Maksimova, E. V. Petrova, A. V. Chukin, I. Felner, M. I. Oshtrakh
METEORITICS & PLANETARY SCIENCE
(2021)
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)
