Article
Multidisciplinary Sciences
Farshad Nejadsattari, Zbigniew M. Stadnik
Summary: The electronic, magnetic and hyperfine-interaction properties of the 112-type iron-pnictide compound EuFeAs2 have been investigated using density-functional theory. The band structure is similar to other 112-type compounds, originating mainly from Fe atoms, with a mixture of ionic and covalent bonding predicted. There is good agreement between calculated hyperfine-interaction parameters and experimental results.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Xiaoshuang Ma, Lin Xiong, Lubing Qin, Yun Tang, Guanyu Ma, Yong Pei, Zhenghua Tang
Summary: In this study, the first homoleptic alkynyl-protected AgCu superatomic nanocluster was reported, along with a similar structure bimetallic nanocluster. Despite the similar Ag-8 cube structure, subtle differences exist between the two clusters, resulting in significantly different optical absorbance features.
Article
Chemistry, Multidisciplinary
Jessica Rodriguez, Alexis Tabey, Sonia Mallet-Ladeira, Didier Bourissou
Summary: The hemilabile Ad(2)P(o-C6H4)NMe2 ligand facilitates fast, quantitative, and irreversible oxidative addition of alkynyl and vinyl iodides to gold, while maintaining stereochemistry. This reaction can be used for hetero-vinylation reactions, producing various functionalized heterocycles with high chemoselectivity.
Article
Chemistry, Organic
Yunliang Yu, Nazarii Sabat, Meriem Daghmoum, Zhenhao Zhang, Pascal Retailleau, Gilles Frison, Angela Marinetti, Xavier Guinchard
Summary: Enantioselective tandem cycloisomerization/addition reactions of 2-alkynyl enones with 1- and 2-naphthols were investigated using gold(I) catalysts featuring hybrid phosphine-phosphoric acid chiral ligands, based on the tethered counterion-directed catalysis strategy. The reactions proceeded at low catalyst loading (0.2-1 mol%) without the need for silver additives, and the naphthols acted as both O- and C-nucleophiles, resulting in the formation of addition products with high enantioselectivity. The mechanism of these reactions was elucidated by DFT calculations.
ORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Lin-Lin Hou, Hong-Jing Li, Dong-Nan Yu, Xun Cheng, Zi-Xuan Yao, Kuan-Guan Liu, Xiao-Wei Yan
Summary: A new 36-nucleus silver-alkynyl cluster has been fabricated under the guidance of ESI-MS results, which emits green-yellow light in the solid state after shell ligand substitution and shows remarkable changes in near-infrared luminescence emission compared to the previous cluster.
Article
Chemistry, Multidisciplinary
Guocheng Deng, Kangjae Lee, Hongwen Deng, Sami Malola, Megalamane S. S. Bootharaju, Hannu Hakkinen, Nanfeng Zheng, Taeghwan Hyeon
Summary: Understanding the origin of chirality in nanostructured materials is crucial for their applications in chiroptical and catalytic fields. In this study, a chiral AgCu superatomic cluster protected by an achiral alkynyl ligand was reported. The crystal structure of this cluster consists of an interpenetrating biicosahedral Ag17Cu2 core stabilized by various motifs. The multiple origins of chirality in Ag22Cu7 were analyzed, and circular dichroism spectra were obtained using appropriate chiral molecules.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Xi Wang, Md Golam Moula, Guangyu He, Hui Jin, Dongmeng Su, Jianpeng Zong, Yanhua Zhang, Hongyu Chen, Yawen Wang
Summary: Ligands play a crucial role in the synthesis of nanostructures. This study introduces alkynyl ligands into the synthesis of ultrathin gold nanowires, enabling one-dimensional growth through the active surface growth mechanism. The alkynyl ligands show superior dissociation properties compared to thiolated ligands, making the resulting gold nanowires more modifiable and applicable.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Yan-Li Gao, Xueli Sun, Xiongkai Tang, Zhenlang Xie, Guolong Tian, Zi-Ang Nan, Huayan Yang, Hui Shen
Summary: A novel alkynyl-stabilized silver-copper alloy nanocluster was synthesized and it was found that the structure of the alkynyl ligands played an important role in dictating the structure of the nanocluster. This nanocluster showed high performance in the catalytic hydrogenation of 4-nitrophenol.
DALTON TRANSACTIONS
(2022)
Article
Multidisciplinary Sciences
Pawel Goj, Aleksandra Wajda, Artur Blachowski, Pawel Stoch
Summary: Iron phosphates are compounds with versatile applications, and their properties depend on the role and position of iron in their structure. The crystal structure properties of a newly developed iron-phosphate compound have been studied, showing interesting magnetic and electric properties with complex crystallography. Ab initio simulations predicted antiferromagnetic coupling of iron magnetic moments and half-metallic properties in the material.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Jiao-Jiao Li, Zong-Jie Guan, Shang-Fu Yuan, Feng Hu, Quan-Ming Wang
Summary: The article describes the synthesis and isolation of alkynyl/chloride-protected gold nanoclusters, and presents the structures of three different clusters, including the new clusters Au-67 and Au-106 with complex surface structures and unique electrochemical properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Chemistry, Multidisciplinary
Xiaoshuang Ma, Yun Tang, Guanyu Ma, Lubing Qin, Zhenghua Tang
Summary: Homoleptic alkynyl-protected Au nanoclusters have attracted significant research interest due to their unique properties and applications in catalysis and optics. This review discusses various synthetic strategies and formation mechanisms, providing insight into the future development of this rapidly evolving field.
Article
Chemistry, Physical
Guocheng Deng, Kangjae Lee, Hongwen Deng, Megalamane S. Bootharaju, Nanfeng Zheng, Taeghwan Hyeon
Summary: This study reports the synthesis and structure of a bimetallic AgCu cluster, Ag12Cu4, which exhibits crystallization-induced and aggregation-induced emission enhancement phenomena. The detailed structural analysis reveals the presence of abundant intercluster interactions, leading to strong photoluminescence enhancement in the solid state.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Organic
Haotian Sun, Baojian Xiong, Yuan Yang, Jiangjun Liu, Xuemei Zhang, Zhong Lian
Summary: A novel dual nickel/palladium-catalyzed reaction has been developed for the synthesis of compounds containing gem-difluorovinyl fragments, showing excellent stereoselectivity and yields. The method also exhibits good functional group tolerance.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Analytical
Siphesihle Robin Nxele, Reitumetse Nkhahle, Tebello Nyokong
Summary: PSA aptasensors were fabricated using novel materials and their detection performance was studied using electrochemical methods, showing potential for clinical applications based on consistent results in spiked serum samples and buffer solutions.
Article
Chemistry, Multidisciplinary
Hiroki Tashiro, Masahiro Terada, Itaru Nakamura
Summary: Gold-catalyzed reactions were used to synthesize 2H-azirines with sulfenyl and acyl groups at the 3-position, yielding good to excellent results. These reactions involved internal transfer of sulfinyl oxygen atom and carbene insertion into the N-S bond for ring construction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Dilek Korcoban, Ahmad E. Kandjani, Victoria E. Coyle, Ebtsam K. Alenezy, Suresh K. Bhargava, Ylias Sabri
Summary: In this study, unconventional colloidal lithography techniques were used to develop a reliable and reproducible SERS sensor with self-cleaning capabilities. The sensor showed high sensitivity and recyclability due to the composite structure formed by the TiO2 base layer and Ag nanoparticles, allowing for multicycle measurements.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Manash J. Baruah, Tonmoy J. Bora, Gautam Gogoi, Nazimul Hoque, Nand K. Gour, Suresh K. Bhargava, Ankur K. Guha, Jayanta K. Nath, Biraj Das, Kusum K. Bania
Summary: The study identified a cobalt oxide-vanadium oxide combined reduced graphene oxide as an efficient photocatalyst for selective oxidation reactions. The catalyst showed high efficiency in synthesizing C2-symmetric BINOL under UV-light irradiation. Through chiral modifiers and sigma-hole center, the catalyst exhibited good performance in high enantioselective oxidative CAC coupling reactions.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Review
Environmental Sciences
Ragini Singh, Akhela Umapathi, Gaurang Patel, Chayan Patra, Uzma Malik, Suresh K. Bhargava, Hemant Kumar Daima
Summary: Nanozymes are nanomaterials that have enzyme-like properties and unique physical and chemical characteristics. They have shown great potential in environmental monitoring and remediation of pollutants, including heavy metals and organic compounds. However, their inherent toxicity needs to be evaluated and monitored to ensure their safe use.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Chemistry, Physical
Luqman H. Hashim, Ahmed Halilu, Yahaya Balarabe Umar, Mohd Rafie Bin Johan, Mohamed Kheireddine Aroua, Paramita Koley, Suresh K. Bhargava
Summary: This study focuses on the design and synthesis of highly active bifunctional catalysts for the conversion of furfural to furfuryl acetate. The catalysts with lower lattice strain exhibited higher catalytic activity.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Electrochemistry
Lizhi Qian, Jinliang Li, Gongxu Lan, Yuan Wang, Sufeng Cao, Lu Bai, Runguo Zheng, Zhiyuan Wang, Suresh K. Bhargava, Hongyu Sun, Hamidreza Arandiyan, Yanguo Liu
Summary: Transition metal oxide (TMO)-based anodes attract attention for lithium storage due to their high capacity, easy synthesis, and improved battery safety. The electrochemical performance of TMO anodes can be significantly improved through configurational entropy optimization. For example, a high-entropy oxide (FeCoNiCrCu)(3)O-4 with low potential and high capacity is synthesized. In both half-cell and full-cell configurations, the (FeCoNiCrCu)(3)O-4 electrode shows excellent performance with high specific capacity and low discharge voltage.
Article
Chemistry, Inorganic & Nuclear
Robert Gericke, Martin A. Bennett, Steven H. Priver, Suresh K. Bhargava
Summary: A series of mono and double bridged heterobimetallic d(8)-d(10) complexes with a [MM'](3+) core (M = Ni, Pt; M' = Cu, Ag, Au) were synthesized. The compounds have short metal-metal separations and metallophilic bonding interactions. Analysis using DFT showed the bonding trends between the metals.
INORGANIC CHEMISTRY
(2023)
Review
Chemistry, Physical
Hamidreza Arandiyan, Putla Sudarsanam, Suresh K. Bhargava, Adam F. Lee, Karen Wilson
Summary: Biomass is a renewable energy source that is being increasingly utilized due to concerns about climate change caused by fossil fuel consumption. Waste biomass-derived fuels and chemicals offer a solution to reduce reliance on fossil fuels and achieve "Net Zero 2050 CO2 emissions" with environmental, health, and economic benefits. This review focuses on the use of perovskite oxide catalysts for biomass valorization, discussing their structure-reactivity relationships in various reactions. The study highlights the prospects and challenges for the broader application of perovskite oxide catalysts in biomass valorization.
Article
Geochemistry & Geophysics
Md Khairul Islam, Michael Somerville, Mark I. Pownceby, James Tardio, Nawshad Haque, Suresh Bhargava
Summary: Printed circuit boards (PCBs) from antiquated electronic goods were processed through pyrometallurgical route to separate alloy and slag phases. The addition of B2O3 flux, along with CaO and SiO2, decreased the melting temperature and improved the recovery of valuable metals at 1350°C smelting temperature. A fluxing strategy for smelting e-waste PCBs containing high Al2O3 was proposed based on the experimental findings of this research.
Review
Immunology
K. Swetha, Niranjan G. Kotla, Lakshmi Tunki, Arya Jayaraj, Suresh K. Bhargava, Haitao Hu, Srinivasa Reddy Bonam, Rajendra Kurapati
Summary: Lipid nanoparticles (LNPs) are an advanced technology for efficient in vivo delivery of exogenous mRNA, especially for COVID-19 vaccines. LNPs consist of four different lipids: ionizable lipids, helper or neutral lipids, cholesterol, and lipids attached to polyethylene glycol (PEG). This review presents recent advances and insights in LNPs design, composition, and properties, with a focus on COVID-19 vaccine development. The role of ionizable lipids in mRNA vaccines and the use of LNPs as effective delivery vehicles for vaccination, genome editing, and protein replacement therapy are discussed.
Review
Engineering, Biomedical
N. P. Navya, Sunil Mehla, Amrin Begum, Harit K. Chaturvedi, Ruchika Ojha, Christian Hartinger, Magdalena Plebanski, Suresh K. Bhargava
Summary: Nanomaterials that mimic natural enzymes in the human body are known as nanozymes and have diagnostic, imaging, and therapeutic capabilities. Smart nanozymes exploit the tumor microenvironment to provide effective cancer therapy. This review focuses on the design and synthesis of nanozymes for cancer therapy, including understanding the tumor microenvironment and surface chemistry for site-specific therapy.
ADVANCED HEALTHCARE MATERIALS
(2023)
Article
Engineering, Chemical
P. Sudhakar, Alka Kumari, Sazal Kundu, Vivek Ravi Sankar, Prathap Kumar Thella, Kalpit Shah, Suresh K. Bhargava
Summary: In this study, antisolvent crystallization of L-aspartic acid (L-ASP) was optimized using response surface methodology (RSM) and a focused beam reflectance measurement (FBRM) tool. Important process parameters such as storage temperature, stirrer velocity, storage time, and solvent ratio were identified to significantly improve the yield and quality of the product, while chord length distribution (CLD) data was obtained through FBRM. The results showed that 2-propanol was a more effective antisolvent than methanol for L-ASP crystallization. Temperature was found to have a critical effect on crystal formation, with crystals forming between 298.15 and 303.15 K. ANOVA results confirmed the significant impact of all studied variables on the yield and CLD. The optimum crystallization conditions were determined as 18 h, stirrer velocity of 200 rpm, distilled water-formic acid/IPA ratio of 1:3 (v/v), and storage temperature of 298.15 K. A quadratic response surface model satisfactorily described the crystallization of L-ASP with an R2 of 0.99 and a deviation of 1.2%.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Gongxu Lan, Huilin Fan, Yuan Wang, Hamidreza Arandiyan, Suresh K. Bhargava, Zongping Shao, Hongyu Sun, Yanguo Liu
Summary: The surface atomic arrangement and defective structures of electrocatalysts play a crucial role in determining their catalytic activity and selectivity. In this study, alpha-Fe2O3 nanosheets with surface oxygen vacancies were synthesized and their oxygen vacancy concentration was varied to study their oxygen reduction reaction (ORR) performance. The results showed that increasing the oxygen vacancy concentration improved the ORR activity up to a certain point, but further increase deteriorated the crystalline quality and affected the performance.
NEW JOURNAL OF CHEMISTRY
(2023)
Review
Chemistry, Physical
Pengcheng Mao, Hamidreza Arandiyan, Sajjad S. Mofarah, Pramod Koshy, Cristina Pozo-Gonzalo, Runguo Zheng, Zhiyuan Wang, Yuan Wang, Suresh K. Bhargava, Hongyu Sun, Zongping Shao, Yanguo Liu
Summary: Rechargeable sodium-air batteries have gained extensive attention and developed rapidly in recent years for electrochemical energy storage applications due to their low costs, abundance of precursor resources, and high energy density. However, challenges such as poor charge-discharge reversibility at the cathode and the formation of sodium dendrites at the anode still need to be addressed. Therefore, designing efficient and stable air cathode materials is crucial for the development and practical application of sodium-air batteries.
Review
Chemistry, Multidisciplinary
Uzma Malik, Roxanne Hubesch, Paramita Koley, Maciej Mazur, Sunil Mehla, Sai Kishore Butti, Milan Brandt, P. R. Selvakannan, Suresh Bhargava
Summary: Combining additive manufacturing with photocatalytic and plasmonic functionalities has promising applications in next-generation SERS. Laser powder bed fusion is a mature technique for manufacturing metallic structures, allowing the printing of complex internal structures. This feature article elaborates on the grafting of plasmonic and semiconductor nanoparticles on LPBF manufactured metallic substrates, showcasing the potential for tailoring substrate properties.
CHEMICAL COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Sunil Mehla, Sivacarendran Balendhran, Suresh K. Bhargava
Summary: This study investigates the impact of variations in the morphology of sunflower mimic metasurfaces on their plasmonic activity using experimental studies and finite difference time domain (FDTD) simulations. The study found that light polarization and morphological features such as dendrite shape, aspect ratio, and packing density play an important role in the distribution of enhanced electric field and plasmonic hot spots.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Guojun Hu, Ziyue Deng, Yanwei Wang, Dan Yuan, Yong Zhang, Yingming Yao
Summary: A series of rare-earth metal complexes were synthesized and used as efficient initiators for the polymerization of trimethylene carbonate (TMC) and (L)-lactide ((L)-LA).
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Van Ha Nguyen, John H. K. Yip
Summary: In this study, eight PtII-azulene complexes were synthesized to investigate the effect of metalation on the electronic structures, spectroscopy, and luminescence of organic chromophores. The results showed that the attachment of Pt substituents to azulene affected the HOMOs, LUMOs, and luminescence properties. The study provides insights into the role of metalation in modifying the properties of organic chromophores.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Moon Kedia, Virender Singh, Bhaskaran Shankar, Malaichamy Sathiyendiran
Summary: This study synthesized two types of neutral binuclear metallocycles using a one-pot solvothermal method and characterized their structures. The analysis revealed that these complexes adopt a binuclear heteroleptic cyclic architecture and belong to phosphine oxide donor (P=O)-based supramolecular coordination cyclic complexes.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Radhey S. Srivastava
Summary: This study demonstrates the effectiveness of zero-valent elements as reductants for the deoxydehydration reaction of polyols catalyzed by ONO-pincer ligated molybdenum dioxo. The insolubility and easy separability of the reductants and their oxidized products during the reaction are emphasized. Additionally, the choice of ligand has an impact on the catalytic performance of the reaction.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Hao Zhou, Yajun Sun, Li Deng, Weiran Yang, Yuehui Li
Summary: Efficient Ru-catalyzed hydrogenation of aldehydes was achieved using carbazole-derived phosphine ligands, with the crucial role of N-H moiety in promoting the catalytic reaction. The method was successfully applied in the Co/Ru-catalyzed hydroformylation process, resulting in the production of long-chain alcohols with excellent yields.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Theodor Danescu, Alexandru Lupan, Radu Silaghi-Dumitrescu, R. Bruce King
Summary: The structures and energies of complexes containing (Me2C2N2P)2Ru2(CO)n and (Me2C2N2P)2Fe2(CO)n have been studied. Low-energy structures are characterized by the presence of bridging diazaphospholyl rings, while higher-energy structures involve different ligand structures.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Savannah C. Kapper, Aamani Ponnekanti, Jonas Schaab, Tian-yi Li, Christine L. Chung, Gael Ung, Peter I. Djurovich, Mark E. Thompson
Summary: Organometallic iridium complexes with two cyclometalated ligands and one bis-oxazoline derived ancillary ligand were studied. These complexes have emission spanning across the visible and near-ultraviolet region, with moderate to high photoluminescence quantum yields. The (ppy)2Ir(BOX-CN) complexes were resolved into Delta- and Lambda-diastereomers based on solubility differences.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Zahra Karimi Sangari, Hossein Naeimi
Summary: In this research, a nanostructured CoCuFe2O4 catalyst was prepared using a brief and useful synthetic strategy. This catalyst was used for synthesizing 1,2,4,5-tetrasubstituted imidazole derivatives under ultrasonic irradiation. The approach offers advantages such as high efficiency, short reaction times, simplicity of the reaction medium, accelerated reaction rates, and easier separation and purification of products.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Rukhsana Gul, Wajid Munir, Ebraheem Abdu Musad Saleh, Shaukat Shujah, Muhammad Sirajuddin, Saira Tabassum, Khalil Ur Rehman, Dilfaraz Khan, Sameerah I. Al-Saeedi, Ehab A. Abdelrahman
Summary: Two new Schiff base ligands were synthesized and used to form copper, nickel, and cobalt complexes. The synthesized compounds were characterized and screened for various biological activities. The metal complexes showed better activities in antibacterial, antifungal, antidiabetic, and antioxidant assays.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Review
Chemistry, Inorganic & Nuclear
Ahsan Nazir, Pengwei Huo, Ameena Tur Rasool
Summary: This review explores the potential of g-C3N4-based S-scheme heterojunctions in addressing environmental issues. It summarizes the mechanism and preparation techniques of S-scheme heterojunctions based on g-C3N4, and presents recent studies on their applications in pollutant removal, CO2 reduction, hydrogen production, and bacterial disinfection. The review concludes with an outlook on future challenges for g-C3N4-based S-scheme heterojunctions.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Francois Mazars, Koffi Senam Etse, Guillermo Zaragoza, Lionel Delaude
Summary: The activity of three Pd-PEPPSI catalyst precursors with N-heterocyclic carbene (NHC) ligands derived from caffeine and theophylline in Mizoroki-Heck reactions was tested. The results showed that the catalysts achieved high conversions and yields, especially in the presence of electron-withdrawing substituents.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Bo-Han Wu, Xue Zhou, Lin Liu, Zheng-Bo Han
Summary: Researching carbon dioxide removal from flue gas and natural gas is crucial. Metal-organic frameworks (MOFs) are commonly used in adsorption due to their high surface area, porosity, and chemical properties. An ultra-microporous MOF CPM-20(Co) with mixed ligand was synthesized using inexpensive ligands. The material exhibited high selectivities and low regenerative energy, making it a promising option for CO2 separation in industries.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
