Article
Chemistry, Multidisciplinary
Shengjie Jiang, Yanping Cai, Ambre Carpentier, Iker del Rosal, Laurent Maron, Xin Xu
Summary: This work reports the first catalyzed synthesis of d-block metal-metal bonded complexes. The treatment of terminal zinc hydrides in the presence of 5 mol% Ni(CO)(2)(PPh3)(2) afforded Zn(i)-Zn(i) bonded compounds in high isolated yields with concomitant elimination of dihydrogen. Stoichiometric reactions, kinetic studies and DFT calculations were conducted to elucidate the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2021)
Article
Metallurgy & Metallurgical Engineering
Duoqiang Zhao, Shenghai Yang, Yongming Chen, Yafei Jie, Jing He, Chaobo Tang
Summary: Zinc-electrowinning in Zn(II)-NH4Cl-H2O systems has advantages including high current efficiency and insensitivity to impurities. The presence of PEO and gelatin influences nucleation, growth mechanism, and morphology, leading to samples with a dense structure free of dendrites. The preferred growth orientation of zinc is enhanced by PEO and gelatin, and the addition of gelatin inhibits the reduction kinetics of zinc.
Article
Environmental Sciences
Swayam Prakash, Suraj Kumar Panigrahi, Rebecca Paulina Dorner, Martin Wagner, Wido Schmidt, Ashok Kumar Mishra
Summary: A detailed photophysical study was conducted on two faecal pigments (UB and SB) and their zinc complexes, revealing that the fluorescence of UB and SB can be enhanced by the formation of Zn(II) complexes. The physicochemical environments play a significant role in influencing the fluorescence behavior of the Zn(II) complexes. Molecular orbital calculations provided insights into the geometry of the complexes and rationalized the fluorescence enhancement after complexation.
Article
Chemistry, Multidisciplinary
Dan Deng, Kai Fu, Ruohan Yu, Jiao Zhu, Hongwei Cai, Xiangchen Zhang, Jinsong Wu, Wen Luo, Liqiang Mai
Summary: Oriented-attachment-regulated Zn stacking is reported to improve the utilization rate and reversibility of Zn anodes. Using Prussian blue analog (PBA) as a substrate, the Zn plating occurs at specific sites with equal spacing, achieving high reversibility and 100% utilization rate. This study provides a proof of concept design and a practical method for developing high-utilization metal anodes and high-energy density batteries.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Tania Zhivkova, Daniela C. Culita, Abedulkadir Abudalleh, Lora Dyakova, Teodora Mocanu, Augustin M. Madalan, Milena Georgieva, George Miloshev, Anamaria Hanganu, Gabriela Marinescu, Radostina Alexandrova
Summary: In this study, two families of homo- and heterometallic complexes were synthesized and their cytotoxic and genotoxic effects on different types of cells were investigated. The results showed that these compounds could significantly inhibit the growth and proliferation of cells within a certain concentration range, with the complexes containing Au(I) exhibiting higher cytotoxic and genotoxic activity. Some of the complexes also showed more pronounced cytotoxic potential than commercially available antitumor agents.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Suffora Akhter, Salman Khursheed, Farukh Arjmand, Sartaj Tabassum
Summary: In this study, bio-compatible water-soluble conjugates of Co(II), Cu(II), and Zn(II) were synthesized and characterized. The spectroscopic techniques and crystallography confirmed the structure of the complexes. The DNA binding interaction studies revealed the mode of binding, DNA cleavage, chemical shift changes, EPR parameter alterations, SOD mimetic activity, and cytotoxicity of the complexes. Molecular docking studies further confirmed the electrostatic interaction of the complexes with DNA groove region.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Joanna Watly, Klaudia Szarszon, Aleksandra Mikolajczyk, Manuela Grelich-Mucha, Agnieszka Matera-Witkiewicz, Joanna Olesiak-Banska, Magdalena Rowinska-Zyrek
Summary: The correlation between metal binding mode, structure, morphology, and biological activity of shepherin I-Zn-(II) and shepherin I-Cu-(II) complexes are investigated. It is found that the binding of Zn-(II) ions to shepherin I leads to structural changes and fibril formation, resulting in strong antifungal activity. In contrast, the shepherin I-Cu-(II) complex does not exhibit the same effects.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Sandra Fernandez-Farina, Isabel Velo-Heleno, Rocio Carballido, Miguel Martinez-Calvo, Ramiro Barcia, Oscar Palacios, Merce Capdevila, Ana M. Gonzalez-Noya, Rosa Pedrido
Summary: This article reports on the design of three zinc helicates derived from bisthiosemicarbazone ligands with different terminal groups. The helicates were obtained using an electrochemical methodology and fully characterized using various techniques, including X-ray diffraction. Biological studies were conducted to assess the toxicity and interaction of these helicates with proteins and oligonucleotides, showing low toxicity and no covalent interaction. In vitro cytotoxicity tests were performed on various cancer cell lines, comparing the IC50 values with cisplatin, to evaluate the antitumor activity of the zinc helicates.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Review
Chemistry, Inorganic & Nuclear
Naresh Kumar, Roopa, Vandana Bhalla, Manoj Kumar
Summary: This article discusses the importance of fluorescent Zn(II)-complexes in bioimaging applications, highlighting their use in cell imaging, cell surface labeling, protein labeling, targeted drug delivery, and subcellular localization.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Biochemistry & Molecular Biology
Vimalraj Selvaraj, Raghunandhakumar Subramanian, Saravanan Sekaran, Deepak Nallaswamy Veeraiyan, Lakshmi Thangavelu
Summary: The study found that Ferulic acid stimulates bone formation, and the complexes of Ferulic acid with Copper and Zinc further enhance this effect.
PROCESS BIOCHEMISTRY
(2021)
Article
Spectroscopy
Jose Carlos Guirado-Moreno, Lara Gonzalez-Ceballos, Israel Carreira-Barral, Saturnino Ibeas, Miguel A. Fernandez-Muino, M. Teresa Sancho, Jose M. Garcia, Saul Vallejos
Summary: We report an innovative method for measuring Zn(II) concentration in commercial pet food samples. This method utilizes a colorimetric sensory polymer and fluorescence titration to accurately measure Zn(II) even in the presence of other cations. The concentration of Zn(II) in 15 samples of commercial pet food was successfully determined using a simple extraction process.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Inorganic & Nuclear
Shuilian Xu, Shengjie Jiang, Xin Xu
Summary: This work demonstrates the selective reduction capabilities of a Zn(I) Zn(I)-bonded compound towards various small molecules. The reaction of this compound with white phosphorus yielded a trimetallic cluster containing a zinc-coordinated Zintl ion. Furthermore, the compound also selectively reduced 1-azidoadamantane and diphenyl disulfide to produce specific Zn(II) and thiolate derivatives, respectively. Notably, the compound remained intact during the oxidation reaction with elemental sulfur, with only the pendant phosphine of the ligand backbone being oxidized.
Article
Engineering, Environmental
Lingqing Wang, Xiaoxiao Han, Tao Liang, Xiulan Yan, Xiao Yang, Zhiguo Pei, Shuhan Tian, Shengsen Wang, Eder C. Lima, Joerg Rinklebe
Summary: This study investigated the sorption and cosorption of Zn(II) and chlortetracycline (CTC) onto montmorillonite at different solution pH levels. The presence of CTC/Zn(II) could enhance the maximum sorption capacity of both substances, promoting individual sorption in both acidic and neutral environments. Surface complexation was identified as a key process behind the sorption of CTC and Zn(II) onto montmorillonite.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Physical
Arron C. Deacy, Christopher B. Durr, Ryan W. F. Kerr, Charlotte K. Williams
Summary: Anhydride and epoxide ring opening copolymerisation can produce aliphatic, semi-aromatic, and functionalised polyesters through the use of heterodinuclear catalysts. These catalysts show high efficiency in forming ester linkages, but exhibit lower activity compared to certain previously reported catalysts. Further exploration of factors influencing synergic heterometallic combinations is needed.
CATALYSIS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Hangda Chen, Juanjuan Huang, Shuhao Tian, Li Liu, Tianfeng Qin, Lei Song, Yanpeng Liu, Yanan Zhang, Xiaogang Wu, Shulai Lei, Shanglong Peng
Summary: By inserting Mn2+, the structure stability of hydrated vanadium oxide is improved, the electronic structure is adjusted, and the conductivity is enhanced. Moreover, Mn2+ alters the migration pathway of Zn2+, reduces the migration barrier, and enhances the rate performance.
Article
Chemistry, Inorganic & Nuclear
Sarote Boonseng, Gavin W. Roffe, John Spencer, Hazel Cox
DALTON TRANSACTIONS
(2015)
Article
Chemistry, Inorganic & Nuclear
Morgan J. Taylor, Emma J. Coakley, Martyn P. Coles, Hazel Cox, J. Robin Fulton
Article
Chemistry, Organic
Gavin W. Roffe, Graham J. Tizzard, Simon J. Coles, Hazel Cox, John Spencer
ORGANIC CHEMISTRY FRONTIERS
(2016)
Article
Multidisciplinary Sciences
Gavin W. Roffe, Sarote Boonseng, Christine B. Baltus, Simon J. Coles, Iain J. Day, Rhiannon N. Jones, Neil J. Press, Mario Ruiz, Graham J. Tizzard, Hazel Cox, John Spencer
ROYAL SOCIETY OPEN SCIENCE
(2016)
Article
Chemistry, Inorganic & Nuclear
Sarote Boonseng, Gavin W. Roffe, Msugh Targema, John Spencer, Hazel Cox
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2017)
Article
Multidisciplinary Sciences
AndrewW. King, Adam L. Baskerville, Hazel Cox
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2018)
Article
Multidisciplinary Sciences
Adam L. Baskerville, Andrew W. King, Hazel Cox
ROYAL SOCIETY OPEN SCIENCE
(2019)
Article
Multidisciplinary Sciences
Adam L. Baskerville, Msugh Targema, Hazel Cox
Summary: This study investigates the Colle-Salvetti (CS) formula, the basis of the Lee, Yang and Parr (LYP) correlation functional used in approximate density functional theory. The accuracy of the CS formula in calculating anions is determined by reparametrizing it using high-accuracy Hartree-Fock (HF) wavefunctions. The analysis of the CS parameters used in the popular LYP functional reveals the ingenuity and perhaps fortuitousness of the original formulation by CS.
ROYAL SOCIETY OPEN SCIENCE
(2022)
Article
Chemistry, Physical
Adam L. Baskerville, Philippa U. Cox, Hazel Cox
Summary: This study investigates the effect of approximating electron correlation in few-electron systems using three different wavefunctions. The results show that the Colle and Salvetti Jastrow-style wavefunction can capture specific behavior of the wavefunction, but it fails to accurately model expectation values that depend on the whole of space and key features of dynamic Coulomb holes and energy distributions.
Article
Multidisciplinary Sciences
Adam L. Baskerville, Conor Gray, Hazel Cox
Summary: We find that the radial distribution function can be transformed into a radial density-energy space, and there is a linear relationship between the radial density and radial energy for the ground and excited states of helium-like systems. The gradient of the resulting straight line provides the energy of the considered state. Based on this finding, we derive a simple analytical expression for the total energy in terms of the density at the most probable nucleus-electron distance of the systems considered using a fitting procedure.
ROYAL SOCIETY OPEN SCIENCE
(2023)
Article
Physics, Atomic, Molecular & Chemical
Hazel Cox, Michael Melgaard, Ville J. J. Syrjanen
Summary: In this paper, we investigate the maximum number of electrons that can be bound to a system of nuclei modelled by Hartree-Fock theory, considering both Restricted and Unrestricted Hartree-Fock models. By using a non-existence approach, an upper bound on the maximum number of electrons is found. The proof of Lieb's bound and new auxiliary results for the Hartree-Fock models are presented, along with a proposed condition for an improved upper bound on the number of electrons within the Restricted Hartree-Fock model, which holds for two-electron atoms.
Article
Chemistry, Applied
Raysa Khan, Sarote Boonseng, Paul D. Kemmitt, Robert Felix, Simon J. Coles, Graham J. Tizzard, Gareth Williams, Olivia Simmonds, Jessica-Lily Harvey, John Atack, Hazel Cox, John Spencer
ADVANCED SYNTHESIS & CATALYSIS
(2017)
Article
Optics
Adam L. Baskerville, Andrew W. King, Hazel Cox
Article
Chemistry, Inorganic & Nuclear
Sarote Boonseng, Gavin W. Roffe, Rhiannon N. Jones, Graham J. Tizzard, Simon J. Coles, John Spencer, Hazel Cox
Article
Optics
Andrew W. King, Luke C. Rhodes, Hazel Cox
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)