Article
Metallurgy & Metallurgical Engineering
Hong-ming Long, Bang-fu Huang, Zhe Shi, Lan-peng Liu, De-fu Wang, Lu Li
Summary: Fe-loaded activated carbon has high surface acidity and manganese-loaded AC has high oxygen content. The study aimed to reveal the modification mechanism of coconut husk AC modified by Fe-Mn. The effects of HNO3, Fe(NO3)(3), and Mn(NO3)(2) on the pore texture and surface chemical characteristics of carbon materials were examined, showing differences in surface topography, pore structure, active material, and functional groups between AC, HNO3/AC, and Fe-Mn/AC.
JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL
(2021)
Article
Biochemical Research Methods
Amanda R. Bubas, Evan Perez, Luke J. Metzler, Scott D. Rissler, Michael J. Van Stipdonk
Summary: Electrospray ionization (ESI) is used to generate gas-phase uranyl complexes for tandem mass spectrometry studies. Experimental and DFT calculations show dissociation of nitrate ligands leads to interesting product ions, with O-2 and NO2 being eliminated from the complexes.
JOURNAL OF MASS SPECTROMETRY
(2021)
Article
Thermodynamics
Shuyang Shi, Baozhong Ma, Shuang Shao, Yongqiang Chen, Chengyan Wang
Summary: An original technology called HNO3 pressure leaching was proposed to extract Al from coal gangue and fly ash. Despite the preliminary separation of Al and Fe during leaching, a small amount of Fe impurity still dissolved into the leach liquor. To achieve pure Al2O3 during subsequent pyrolysis, synchronous removal of Fe3+ during the crystallization of Al(NO3)3 center dot 9H2O is necessary. This study investigated the phase equilibria of the Al(NO3)3-Fe(NO3)3- H2O(-HNO3) system and provided important insights for the crystallization and separation of mixed nitrates containing Al and Fe.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Chemistry, Multidisciplinary
Krishna C. Thatipamula, Govindugari Bhargavi, Melath Rajasekharan
Summary: A study was conducted on a series of 36 complexes obtained from acetonitrile solutions of Cu(NO3)(2), Ln(NO3)(3), and various bipyridine ligands, revealing distinct structural characteristics and coordination numbers among different types of complexes. The research provides valuable information for understanding and utilizing these complexes in various applications.
Article
Materials Science, Multidisciplinary
Yoshihiko Ihara, Ryoga Hiyoshi, Masakazu Shimohashi, Kaoru Hayashi, Ryutaro Okuma, Fabio Orlandi, Pascal Manuel, Goran J. Nilsen, Zenji Hiroi
Summary: Neutron diffraction and nuclear magnetic resonance (NMR) measurements were used to analyze the magnetic structure of the S = 12 kagome antiferromagnet CdCu3(OH)(6)(NO3)(2) middot H2O. The results revealed a chirality-ordered magnetic structure with negative vector chirality and (100) anisotropy.
Article
Chemistry, Physical
Meng-Tian Li, Ya-Ting Li, Lu Sun, Zhi-Bin Xu, Yun Zhao, Zi-Hui Meng, Qin-Pei Wu
Summary: This study demonstrates the excellent heat storage performance of magnesium hydroxide doped with cerium nitrate and lithium hydroxide, reducing dehydration temperatures, increasing dehydration and heat storage rates, and decreasing activation energy and pre-exponential factor. The research also shows the promising reversibility of the dehydration-hydration cycle for heat storage using these composites.
Article
Chemistry, Multidisciplinary
Lin Xiang, Wang Luo, Zhi-Yuan Yue, Yi-Fang Huang, Na Wang, Le-Ping Miao, Heng-Yun Ye, Chao Shi
Summary: Molecule-based switchable dielectrics with distinct changes of dielectric constant under external stimuli are technologically important. In this study, a new crown-ether clathrate was synthesized and found to exhibit reversible phase transition and bistable dielectric response.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Physical
Eva Gougoula, Charlotte N. Cummings, Yugao Xu, Tao Lu, Gang Feng, Nicholas R. Walker
Summary: Two isomers of a complex formed between thiazole and two water molecules have been identified using Fourier transform microwave spectroscopy. The rotational constants, centrifugal distortion constants, and nuclear quadrupole coupling constants have been determined for each isomer. The molecular geometry, energy, and dipole moment have been calculated using Density Functional Theory. Non-covalent interaction and natural bond orbital analyses reveal the presence of strong hydrogen bonding interactions within each isomer.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Qin Wang, Jinxuan Ren, Dan Wang, Liling Cao, Xuehua Dong, Ling Huang, Daojiang Gao, Guohong Zou
Summary: Two fluorine antimony nitrates, (NH4)(3)SbF3(NO3)(3) and (NH4)(3)SbF4(NO3)(2), were successfully synthesized by a low temperature molten salt method. Despite the presence of NO3- groups and similar Sb-polyhedra, these compounds exhibit different macroscopic centricities. The noncentrosymmetric (NH4)(3)SbF3(NO3)(3) demonstrates strong second harmonic generation, large birefringence, and a large band gap, indicating its potential as a UV nonlinear optical material.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Thermodynamics
Alexey S. Maliutin, Nikita A. Kovalenko, Irina A. Uspenskaya
Summary: This article proposes a set of parameters to accurately describe the properties of solution and solid-liquid equilibria in the H2O-HNO3-Ca(NO3)2-UO2(NO3)2 system. The model is valid within a wide range of temperatures and concentrations, and utilizes literature data.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2022)
Article
Chemistry, Organic
Gopal Rana, Abhishek Kar, Sandip Kundal, Dulal Musib, Umasish Jana
Summary: In this study, a new method for the synthesis of substituted 3-acylindoles using DDQ as a catalyst is reported. The method involves the regioselective oxo-functionalization of C-3 alkyl-/aryllidine indolines using catalytic DDQ in combination with Fe(NO3)3 center dot 9H2O and molecular oxygen as co-catalysts. The method is general and offers high yields with varieties of functional groups tolerance. Furthermore, molecular docking studies demonstrate the potential of the synthesized ligands to inhibit the RdRp complex of SARS-CoV-2.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Physics, Multidisciplinary
Xu Chong, Niu Lian-Bin, Qian Ya-Cui, Wen Lin, Xiong Yuan-Qiang, Peng Hao-Nan, Guan Yun-Xia
Summary: This study addresses the issue of green light emission in polyfluorene by using the molecular magnetic material [Fe(NH(2)trz)(3)center dot (BF4)(2)]. By modulating the electronicspin state, it achieves strong pure blue emission of PFO, providing a reliable path for the industrialization of polyfluorene in blue OLEDs.
ACTA PHYSICA SINICA
(2021)
Article
Chemistry, Multidisciplinary
Reshma Jose, Sourav Pal, Gopalan Rajaraman
Summary: Using periodic DFT calculations, we have elucidated the mechanism of the previously observed unusual cooperative adsorption of CO gas in an Fe-bistriazolate MOF. Binding of one CO molecule to Fe-II induces structural alteration of neighboring Fe centers, reducing steric energy penalty and facilitating cooperative adsorption. This resembles the entatic state concept proposed for metalloenzymes and offers innovative strategies for selective gas adsorption.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Yuxiang Xin, Yijia Zhou, Longzhang Dong, Pengpeng Wei, Xiaoyan Zou, Fengming Zhang, Guangming Li
Summary: In this study, a series of PMoVx@rht-MOF-1 complexes were synthesized using a simple self-assembly solvothermal method, where PMoVx are encapsulated in the porous rht-MOF-1 framework. The structure and proton conductivity of different complexes are influenced by the number of protons in the POMs, with complex 4 showing the best proton conductivity.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Samaresh Samanta, Parth Raval, G. N. Manjunatha Reddy, Debangshu Chaudhuri
Summary: Cooperative interactions are crucial in programmable supramolecular assembly, which relies heavily on empirical knowledge. Developing cooperativity as a rational design tool in molecular self-assembly requires a detailed characterization of the underlying interactions, which poses a challenge for assemblies lacking long-range order.
ACS CENTRAL SCIENCE
(2021)
Article
Chemistry, Inorganic & Nuclear
Volodymyr M. Hiiuk, Sergii Shylin, Diana D. Barakhtii, Dmytro M. Korytko, Volodymyr O. Kotsyubynsky, Aurelian Rotaru, Sergiu Shova, Il'ya A. Gural'skiy
Summary: Two 2D Hofmann-type complexes of [Fe(Phpz)2{M(CN)(2)}(2)] (where Phpz = 2-phenylpyrazine; M = Ag, Au) have been synthesized and characterized, showing a highly reproducible two-step spin-crossover behavior influenced by supramolecular interactions and bulky substituents in the ligand. This work supports the potential of substituted pyrazines in designing new switchable materials.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Ceramics
Maryam Nili-Ahmadababdi, Rasoul Sarraf-Mamoory, Amin Yourdkhani, Andrei Diaconu, Aurelian Rotaru
Summary: The cobalt doping of Mg1-xCoxFe2O4 ferrite powders affected the grain size, density, magnetic properties, and dielectric behavior, resulting in increased saturation magnetizations but also increased DC resistivity. Doping led to an increase in grain size and density, improving both the magnetic and dielectric properties of the samples.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Xuelian Liu, Jiande Wang, Mengyuan Du, Koen Robeyns, Yaroslav Filinchuk, Qi Zhu, Varun Kumar, Yann Garcia, Gheorghe Borodi, Cristian Morari, Jean-Francois Gohy, Alexandru Vlad
Summary: This study analyzes a series of off-stoichiometric Fe-PO4-F phases and finds that some of them exhibit improved electrochemical activity for sodium storage. In particular, the metastable crystalline Na1.2Fe1.2PO4F0.6 phase shows excellent reversible capacity, average discharge potential, and practical specific energy density, outperforming many developed Fe-PO4 analogs. The study unlocks the potential of off-stoichiometric Fe-PO4-F cathode materials and emphasizes the importance of exploring metastable or transient state materials for energy storage.
Article
Engineering, Environmental
Li Sun, Aurelian Rotaru, Yann Garcia
Summary: Food quality monitoring and freshness assessment are crucial for ensuring food safety. A novel nonporous colorimetric complex 1 has been developed for the detection of ammonia gas and its volatile organic derivatives. The sensor operates at room temperature without energy input and shows excellent reusability. Additionally, complex 1 can be used for real-time monitoring of meat freshness.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Leontin Padurariu, Nadejda Horchidan, Cristina Elena Ciomaga, Lavinia Petronela Curecheriu, Vlad Alexandru Lukacs, Radu Stefan Stirbu, George Stoian, Mihaela Botea, Mihaela Florea, Valentin Adrian Maraloiu, Lucian Pintilie, Aurelian Rotaru, Liliana Mitoseriu
Summary: This paper investigates the effect of ferroelectric filler size and clustering on the dielectric properties of 20%BaTiO3-80%PVDF and 20%(2%Ag-98%BaTiO3)-PVDF hybrid nanocomposites. Finite element calculations reveal that fillers with epsilon > 103 do not enhance the permittivity in the composites, and the effective dielectric constant saturates to specific values determined by filler size and clustering. Addition of metallic ultrafine nanoparticles (Ag) increases the permittivity, especially when they are well connected to the ferroelectric particles' surfaces. Experimental dielectric analysis confirms the trends predicted by simulations, with slightly higher permittivity values likely due to changes in polymer phase composition and local inhomogeneity caused by nanofillers and clustering.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Inorganic & Nuclear
P. -. A. Soderstrom, D. L. Balabanski, R. S. Ban, Gh. Ciocan, M. Cuciuc, A. Dhal, V. Fugaru, V. Iancu, A. Rotaru, A. B. Serban, A. State, D. Testov, G. V. Turturica, V. Vasilca
Summary: We have developed and built a high-energy gamma-ray source for the purpose of detector characterisation and calibration. The source consists of a composite structure, with a plutonium-beryllium neutron emitter embedded in a paraffin moderator that is mixed with nickel powder. This 9 MeV gamma-ray source emits approximately 450 photons per second in 4 pi, when 2.2 x 10(5) neutrons per second are emitted, resulting in a surface flux of 9 MeV gamma-rays of about 2.5 x 10(-6) cm(-2) per emitted neutron. In this paper, we discuss the properties and design of this source, including the characterization of homogeneity and the high-energy gamma-ray emission spectra.
APPLIED RADIATION AND ISOTOPES
(2023)
Article
Chemistry, Physical
Laura Mihai, Gabriel Caruntu, Aurelian Rotaru, Daniela Caruntu, Vasyl Mykhailovych, Cristina Elena Ciomaga, Nadejda Horchidan, Andrei Stancalie, Aurelian Marcu
Summary: BaTiO3 (BTO) nanoparticles were incorporated into various flexible materials for the fabrication of flexible electronic devices. The dielectric properties of these materials were tested using time domain spectroscopy in the frequency range of 30 GHz-2 THz. The dielectric performances of different materials with varying nanoparticle concentrations (up to 40 wt.%) embedded in gelatin, epoxy, and styrene-butadiene were compared at temperatures ranging from 0 degrees C to 120 degrees C. Optimal nanoparticle concentrations were found to be matrix-dependent, with the best composite performances achieved by the BTO-SBS matrix (2 wt.% filler concentration) and the BTO-gelatin matrix (40 wt.% filler concentration).
Article
Chemistry, Multidisciplinary
Li Sun, Nour El Islam Belmouri, Mamadou Ndiaye, Koen Robeyns, Aurelian Rotaru, Kamel Boukheddaden, Yann Garcia
Summary: In this study, two types of 3D porous coordination polymers were synthesized and characterized. These polymers exhibited different magnetic and optical properties during the cooling process. In addition, the cavities in these porous polymers could accommodate chloroform or dichloromethane molecules, further altering the material's properties. These materials have the potential to be used as reusable storage for chemical and gas sensors.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Polymer Science
Florina-Daniela Cojocaru, Ioannis Gardikiotis, Gianina Dodi, Aurelian Rotaru, Vera Balan, Elena Rezus, Liliana Verestiuc
Summary: The increasing tendency of population aging is directly correlated with a significant number of associated pathologies. Implantable bone substitutes have proven to be an efficient solution for metabolic bone diseases such as osteoporosis or chronic kidney disease-mineral and bone disorders. This study aimed to develop composite beads with a combination of biopolymers (specifically alginate and guar gum/carboxymethyl guar gum) and ceramics (specifically calcium phosphates). The results showed that the beads based on a higher concentration of guar gum had superior properties for bone tissue repair.
Article
Biochemistry & Molecular Biology
Youssef Draoui, Smaail Radi, Mohamed El Massaoudi, Yousra Bahjou, Sabir Ouahhoud, Samira Mamri, Marilena Ferbinteanu, Redouane Benabbes, Mariusz Wolff, Koen Robeyns, Yann Garcia
Summary: Four mononuclear complexes were synthesized using a new 1,2,4-triazole ligand and the structures of the complexes were studied in relation to the cooperative effect of hydrogen bonding network and counter anions on the supramolecular formations. These compounds showed favorable antibacterial performances and significant antifungal inhibitory activity.
Article
Polymer Science
Dustin N. N. Jordan, Patrick G. G. Strassburg, Dennis Woschko, Luca M. M. Carrella, Laure P. P. Cuignet, Katharina Eickmeier, Richard Dronskowski, Yann Garcia, Eva Rentschler, Christoph Janiak
Summary: Seven new coordination networks with different structures were synthesized and investigated. The interpenetration of the networks is guided by the coordinated and non-coordinated anions. The role of different anions in the formation of the networks was explored.
Article
Chemistry, Analytical
Vasyl Mykhailovych, Gabriel Caruntu, Adrian Graur, Mariia Mykhailovych, Petro Fochuk, Igor Fodchuk, Gelu-Marius Rotaru, Aurelian Rotaru
Summary: We successfully synthesized dielectric spinel-type ZnCr2O4 nanoparticles with controlled shape by a sol-gel auto-combustion method followed by heat treatment. The morphology of the nanoparticles was systematically studied by FE-SEM, PXRD, and dielectric analysis. It was observed for the first time that the nanoparticles changed from shapeless to truncated octahedrons and eventually pseudo-octahedra with increasing post-synthesis heat treatment temperature. The pseudo-octahedral nanoparticles exhibited the best dielectric performance with a high permittivity of epsilon = 1500 and a low dielectric loss tan delta = 5 x 10(-4) at 1 Hz.
Article
Chemistry, Inorganic & Nuclear
Parastoo Moradi, Ehsan Taheri-Nassaj, Amin Yourdkhani, Vasyl Mykhailovych, Andrei Diaconu, Aurelian Rotaru
Summary: AgNbO3 ceramics were produced using two sintering methods. The reaction-sintered samples showed lower energy loss density and higher energy storage efficiency compared to conventional solid-state sintered samples.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Youssef Draoui, Smaail Radi, Amine Tanan, Afaf Oulmidi, Haralampos N. Miras, Redouane Benabbes, Sabir Ouahhoudo, Samira Mamri, Aurelian Rotaru, Yann Garcia
Summary: A new pyrazole ligand was synthesized and used for the construction of a series of coordination complexes. The complexes were characterized using various techniques and their biological activities were evaluated.
Article
Materials Science, Multidisciplinary
Weiyang Li, Li Sun, Cuilian Liu, Aurelian Rotaru, Koen Robeyns, Michael L. Singleton, Yann Garcia
Summary: The design and construction of colorimetric ammonia (NH3) sensors with high selectivity, great stability, and short response times at room temperature are crucial for human health and food safety. This study presents a chiral supramolecular FeII4L4 metal-organic cage (MOC-1) that can detect NH3(g) in under 10 seconds at room temperature and was used to monitor food safety on fresh bacon bits at 4 degrees C. The MOC-1 sensor demonstrated superior selectivity among NH3(g) and twelve other analytes, and the sensing mechanism is associated with a high-spin to low-spin transition of the Fe-II ions.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)