Article
Chemistry, Multidisciplinary
Hannah Siera, Saber Mehrparvar, Jonas Fax, Mathis Kreuzahler, Gebhard Haberhauer
Summary: Size and shape are crucial for the function and properties of a molecular system. However, existing methods for determining distances within a molecule have limitations. In this study, we introduce a molecular spring and demonstrate that C-13 NMR spectroscopy can accurately measure distances within macrocycles in the range of 10 angstrom. We also discover a previously overlooked phenomenon of thermal shrinking, which can potentially be used to alter the function of a system by changing its length.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Engineering, Electrical & Electronic
Yufei Chen, Qiyuan Tian, Hui Zhao, Chengjun Teng
Summary: MAH-GO was prepared by grafting MAH onto GO, and the MAH-GO/MBAE composites were obtained by in-situ polymerization with MBAE as matrix and MAH-GO as reinforcement. The study showed that MAH-GO can uniformly disperse in the matrix resin, improving both mechanical and dielectric properties of the composite significantly.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2021)
Article
Biochemistry & Molecular Biology
Martin Dracinsky
Summary: This study thoroughly analyzes the large deviations in predicted hydrogen and carbon chemical shifts of a series of solid pyridinium fumarates. The influence of geometry optimization protocol and computational level on the accuracy of predicted chemical shifts is investigated, with improvements suggested for proton chemical-shift predictions through the use of computationally demanding hybrid functional for geometry optimization.
Article
Chemistry, Physical
Valdemir Ludwig, Alessandro Henrique de Lima, Lucas Modesto-Costa, Zelia M. Da Costa Ludwig, Joao Paulo Almeira de Mendonca, Welber Gianini Quirino, Fernando Sato
Summary: In this study, graphene oxide (GO) was synthesized and its vibrational properties were characterized for hydrated and lyophilized samples. Computational simulations showed a large polarization in the GO molecule due to strong hydrogen bonds formed between water molecules and oxygen functional groups. This led to broadening observed in the infrared and Raman spectra.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Patryk Rybczynski, Anna Kaczmarek-Kedziera, Alex Iglesias-Reguant, Damian Plazuk, Borys Osmialowski
Summary: The tautomeric equilibrium of a series of 1-benzamidoisoquinoline derivatives was investigated using NMR spectroscopy and computational chemistry. The substitution effect could control the equilibrium between different tautomers, with the relative content of the amide form varying depending on the substituent. Unlike 2-phenacylquinoline derivatives, the most stable tautomer in the 1-benzamidoisoquinoline series was an amide, except for the two most electron-accepting substituents. The inclusion of explicit solvent was necessary to reproduce the experimental tendencies observed in this system, particularly for the formation of strong intermolecular hydrogen bonds.
Article
Multidisciplinary Sciences
Bismark Mensah, Johnson Kwame Efavi, David Sasu Konadu, Gloria Pokuaa Manu
Summary: Ethylene-propylene grafted-maleic anhydride (EPR-g-MA) and pure maleic anhydride (MA) were used to compound carboxylated acrylonitrile butadiene-rubber (XNBR) with reduced graphene oxide (G) to form nanocomposites using melt compounding technique. The addition of G-sheets in the presence of MA or EPR-g-MA improved the physico-mechanical properties and thermal degradation resistance. The strong bonding in the nanocomposites was found to be the main contributing factor for these property enhancements. The nanostructured materials have multifunctional capabilities and potential applications in high temperature, flame retardancy, and structural fields.
Article
Chemistry, Applied
Roya Khalili, Anu M. Kantola, Sanna Komulainen, Anne Selent, Marcin Selent, Juha Vaara, Anna-Carin Larsson, Perttu Lantto, Ville-Veikko Telkki
Summary: The study utilizes 129Xe NMR to investigate the porous structures and adsorption properties of REE phosphates. It is found that 129Xe resonances are highly sensitive to the porous structures and moisture content, allowing for determination of mesopore sizes. Computational modeling validates the chemical shifts of Xe adsorbed on magnetic surfaces and confirms the validity of the two-site exchange model analysis.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Qian Zhang, Rui Yang, Jie Li, Chunxia Pang, Bowen Chen
Summary: The structural, energetic, and Raman vibrational properties of 4-cyanopyridine (4-CNP) adsorbed on Zn12O12 and Zn12O12-graphene oxide (GO) substrates were investigated using DFT-D3. The chemisorption of 4-CNP on Zn12O12 and Zn12O12-GO occurred at the Zn atom through its pyridine N atom. The interaction energies were -1.492 and -1.436 eV respectively. Humidity had little effect on the adsorption properties, while dispersion forces influenced the interaction energy of adsorbed 4-CNP on Zn12O12.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Chemistry, Physical
Francesca Mocci, Chiara Olla, Antonio Cappai, Riccardo Corpino, Pier Carlo Ricci, Daniele Chiriu, Marcello Salis, Carlo Maria Carbonaro
Summary: This study confirmed the significant impact of citric acid on the formation of protonated and deprotonated species in the synthesis of citric acid-based CNDs, and further analyzed their contributions to vibrational and magnetic spectra.
Article
Chemistry, Physical
Hao Zhang, Liyang Lin, Ning Hu, Deqiang Yin, Weibin Zhu, Susu Chen, Shiling Zhu, Wenxing Yu, Yuanhao Tian
Summary: This study investigates the pressure sensors based on reduced graphene oxide/pillared carbon layers through theoretical modeling and calculations. The rGO/PC-based pressure sensor exhibits excellent performance, and the sensitivity can be further enhanced by depositing tungsten atoms. The sensor shows great potential for applications in biomedicine and human-machine interaction.
Article
Chemistry, Multidisciplinary
Xin Huang, Jinliang Song, Manli Hua, Bingfeng Chen, Zhenbing Xie, Huizhen Liu, Zhanrong Zhang, Qinglei Meng, Buxing Han
Summary: In this study, Se-doped graphitic carbon nitride nanotubes were successfully designed and fabricated for efficient electrocatalytic oxidation of biomass-derived furan compounds to produce maleic acid (MA). It was found that Se doping could tune the chemical structure of the materials, impacting the catalytic performance and mechanism. The excellent performance of C3.0N-Se-0.03 originated from the suitable amount of graphitic N and its better electrochemical properties, significantly boosting the oxidation pathway to MA.
Article
Chemistry, Multidisciplinary
Michael Fischer, Carlos Bornes, Luis Mafra, Joao Rocha
Summary: ITQ-13 is a medium-pore zeolite that can be prepared in all-silica form and as silicogermanate with Si/Ge ratios as low as 3. The energetically most favourable Ge distributions for Si/Ge ratios between 55 and 6 have been investigated using dispersion-corrected density functional theory calculations, showing Ge atoms are incorporated at specific locations in the cages.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Michael Gock, Michael Lutter, Anna Pintus, Dieter Schollmeier, Massimiliano Arca, Vito Lippolis, Klaus Jurkschat
Summary: The phosphorus-containing aryllithium compound reacted with various reagents to yield aryldiphenylphosphane chalcogenides and benzoxaphos-phaphospholes, which were characterized structurally.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Organic
Helmut Poleschner, Matthias Heydenreich, Andreas J. Achazi
Summary: Trans-cycloalkenes with the X-C=C-SeR*-unit and ring sizes from 9 to 20 have been synthesized. The epimerization of the trans-cycloalkenes, i.e., the 180 degrees rotation of the X-C=C-unit through the cavity of the ring, was studied. The results showed significant effects of ring size and steric effects due to the groups X.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Materials Science, Paper & Wood
Hongfeng Zhang, Luxin Wang, Paul Bicho, Erin A. S. Doherty, Richard J. Riehle, Sachin Borkar, Jose Moran-Mirabal, Robert H. Pelton
Summary: Grafting hydrolyzed poly(ethylene-alt-maleic anhydride) onto pulp fibers increases the density of surface charge groups and can regenerate reactive succinic anhydride groups through high-temperature curing. This grafting process does not affect pulp refining characteristics but can significantly improve the wet strength of papers under specific drying conditions. The curing process generates anhydride groups that increase the ester linkages on fiber surfaces, giving the pulps thermosetting properties.
Article
Biophysics
Juan Carlos Abrego-Martinez, Maziar Jafari, Siham Chergui, Catalin Pavel, Diping Che, Mohamed Siaj
Summary: Quick and accurate diagnosis of the COVID-19 is crucial in stopping the spread of the virus. The development of an aptamer-based biosensor on a screen-printed carbon electrode platform shows promise in providing rapid and sensitive detection of SARS-CoV-2, offering a potential solution to the current challenges in COVID-19 diagnosis.
BIOSENSORS & BIOELECTRONICS
(2022)
Article
Nanoscience & Nanotechnology
Zhonglin Du, Ting Yu, Wanting He, Aycan Yurtsever, Ricardo Izquierdo, Maziar Jafari, Mohamed Siaj, Dongling Ma
Summary: By incorporating polyelectrolyte polystyrenesulfonate (PSS)-coated plasmonic gold nanorods (GNRs@PSS) as rear interfacial modifiers, the sunlight absorption and charge generation efficiency of nonfullerene organic solar cells (OSCs) can be improved.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Review
Energy & Fuels
Mariam Odetallah, Christian Kuss
Summary: Intercalation is a fundamental process used in lithium-ion batteries and related technologies, and can be induced both electrochemically and chemically. Chemical intercalation is important for applications where electrochemical methods are not practical, and continues to inspire innovative uses. This review summarizes the use of chemical intercalation, serves as a resource for selecting and optimizing methods, and covers the entire lifecycle of intercalation materials, including development, synthesis, use, and recycling. These reactions are expected to have a significant impact on the development of efficient and affordable energy storage.
Article
Nanoscience & Nanotechnology
Amir Khojastehnezhad, Farid Moeinpour, Maziar Jafari, Mohammad K. Shehab, Ahmad Samih ElDouhaibi, Hani M. El-Kaderi, Mohamed Siaj
Summary: Core-shell magnetic covalent organic framework (COF) materials were prepared and functionalized with different organic ligands through a postsynthetic modification approach. The prepared samples were characterized with various techniques, and the crystalline and porous nature of the functionalized COFs were well maintained. The functionalized magnetic COF showed rapid kinetics, with adsorption dynamics conforming to the quasi-second-order kinetic model and the Langmuir adsorption model. Thermodynamic calculations proved the endothermic and spontaneous nature of the adsorption process.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Khaled Rhili, Siham Chergui, Ahmad Samih ElDouhaibi, Ahmed Mazzah, Mohamed Siaj
Summary: Highly cross-linked inorganic and organic hybrid cyclomatrix-polyphosphazenes microspheres (C-PPZs) were synthesized using a one-pot polymerization technique. These microspheres were incorporated into epoxy resins (EPs) to enhance their flame retardancy. The size and morphology of the microspheres could be controlled by varying the synthesis temperature. The C-CPPZ microspheres exhibited good thermal stability up to 900 degrees C.
Article
Chemistry, Physical
Zhiyuan Peng, Yilu Su, Mohamed Siaj
Summary: In this study, an innovative pure Z-scheme heterostructure CdS/Au/SnO2-S photoanode was designed for highly efficient photoelectrochemical (PEC) hydrogen evolution. The incorporated Au nano-particles not only supported the growth of SnO2 layer but also acted as the electron mediator for efficient charge transfer. This reinforced Z-scheme charge transportation channel suppressed charge recombination process, increased carrier density, and preserved strong redox capability, resulting in significantly improved photocurrent density and photo-to-current conversion efficiency with better corrosion resistance.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Biochemistry & Molecular Biology
Vinay Khatri, Maziar Jafari, Roger Gaudreault, Marc Beauregard, Mohamed Siaj, Denis Archambault, Eric Loranger, Steve Bourgault
Summary: This study utilized bacterial amyloid fibrils to modify cellulose nanofibrils (CNFs), resulting in composite materials with significantly improved mechanical properties, water-repelling properties, and thermal resistance. This CNF-based bionanocomposite opens up new directions for environmentally friendly applications.
Article
Medical Laboratory Technology
Abeer K. Malkawi, Refat M. Nimer, Maha Almogren, Afshan Masood, Abdulrahman S. Alarfaj, Hicham Benabdelkamel, Anas M. Abdel Rahman, Mohamed Siaj
Summary: This study developed a novel liquid chromatography-tandem mass spectrometry method to accurately quantify soluble costimulatory molecules in human plasma as potential diagnostic biomarkers for rheumatoid arthritis (RA). The method showed a wide linear range and met international standards for reliability and accuracy. The plasma levels of sCTLA4, sCD80, and sCD86 were significantly elevated in RA patients, with sCTLA4 showing the highest diagnostic and clinical performance.
CLINICA CHIMICA ACTA
(2023)
Article
Chemistry, Applied
Amir Khojastehnezhad, Maryam Rajabzadeh, Maziar Jafari, Farid Moeinpour, Reza Khalifeh, Jacques Huot, Dongling Ma, Mohamed Siaj
Summary: In this study, a core-shell magnetic (Fe3O4, MNP) microporous organic network (MON) was prepared and Cu nanoparticles (NPs) were immobilized on the MON shell material. XPS and XRD analyses confirmed the composition of the copper NPs. TEM analysis revealed the size of the Cu/CuO/Cu2O NPs immobilized on the MON surface. MON-Cu/CuO/Cu2O showed excellent catalytic activity for the synthesis of carbonates via CO2 fixation reaction.
MICROPOROUS AND MESOPOROUS MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Amir Khojastehnezhad, Hichem Gamraoui, Maziar Jafari, Zhiyuan Peng, Farid Moeinpour, Mohamed Siaj
Summary: To reduce environmental impact and cut costs, the development of recyclable and green heterogeneous catalysts is extremely important. In this research, a core-shell magnetic structure consisting of Fe3O4 and a microporous organic network (MON) was successfully developed, and palladium nanoparticles (NPs) were physically absorbed onto the outer surface of the shell substance. Various analyses confirmed the effective bonding between Pd NPs and the MON materials, and the immobilization of the palladium NPs. The prepared nanoheterogeneous catalysts exhibited excellent catalytic performance in mild conditions for C-C formation.
ACS APPLIED NANO MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Zhiyuan Peng, Yilu Su, Maziar Jafari, Mohamed Siaj
Summary: Heterojunction fabrication using chemical vapor deposition (CVD) technique was used to construct CdS/MoS2 heterojunction photoanode for improved solar-to-hydrogen conversion efficiency. The optimized heterojunction with MoS2 wrapping showed higher photocurrent density and photoconversion efficiency, as well as better corrosion resistance and photostability compared to the pristine CdS. This work provides a versatile platform for developing other MoS2-based heterojunction photoelectrodes with extensive applications.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Environmental
Zhiyuan Peng, Yilu Su, Imane Ennaji, Amir Khojastehnezhad, Mohamed Siaj
Summary: In this study, a highly-oriented E-BiVO4/MoS2 heterojunction photoanode was designed and fabricated by encapsulating few-layered MoS2 nanosheets on electrochemical-treated BiVO4 nanopyramid arrays. The optimized photoanode showed significantly improved photocurrent density and photon-to-electron conversion efficiency for efficient PEC water splitting.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Khaled Rhili, Siham Chergui, Juan Carlos Abergo-Martinez, Ahmad Samih El Douhaibi, Mohamed Siaj
Summary: Phosphorus/nitrogen co-doped reduced graphene oxide (PN-rGO) materials were successfully prepared by one-step pyrolysis, which exhibited a porous structure and thin film morphology. The PN-rGO showed improved electrochemical properties compared to undoped rGO, including high specific capacitance, excellent rate capability, and cycling stability. Furthermore, the assembled supercapacitor using PN-rGO achieved a relatively high energy density.
MATERIALS ADVANCES
(2023)
Article
Biophysics
Abeer K. Malkawi, Maziar Jafari, Leanne Ohlund, Lekha Sleno, Anas M. Abdel Rahman, Mohamed Siaj
Summary: In this study, a sensitive aptasensor was developed to detect sCD80 in human serum. A high-affinity aptamer was selected through conventional in-vitro selection process and immobilized on a screen-printed gold electrode. The aptasensor showed good assembly and distribution performance, with linear detection range and low detection limit. The sensor also demonstrated reliable performance in a biological matrix.
BIOSENSORS & BIOELECTRONICS
(2023)
Article
Materials Science, Multidisciplinary
Khaled Rhili, Siham Chergui, Juan Carlos Abergo-Martinez, Ahmad Samih El Douhaibi, Mohamed Siaj
Summary: Phosphorus/nitrogen co-doped reduced graphene oxide (PN-rGO) materials were synthesized through one-step pyrolysis of functionalized graphene oxide (FGO) with hexachlorocyclotriphosphazene and p-phenylenediamine. The resulting PN-rGO exhibited improved capacitive properties, including high specific capacitance, remarkable rate capability, and excellent cycling stability. Moreover, the assembled PN-rGO supercapacitor demonstrated a relatively high energy density in KOH electrolyte.
MATERIALS ADVANCES
(2023)
