Article
Chemistry, Multidisciplinary
George E. Cutsail, Matthew O. Ross, Amy C. Rosenzweig, Serena DeBeer
Summary: The study investigated the enzymatic conversion of methane to methanol by methane monooxygenases (MMOs) under mild conditions. The results revealed the presence of only monocopper sites in particulate MMO (pMMO), contradicting the previous proposed dicopper site. Additionally, photodamage was found to partially contribute to observed features in X-ray absorption spectrum, highlighting the complexity involved in EXAFS measurement and modeling of dilute metalloproteins with multiple metal centers.
Article
Environmental Sciences
Tuantuan Fan, Xin Yao, Haoyu Ren, Feiyang Ma, Li Liu, Xiaojia Huo, Tong Lin, Haiyan Zhu, Yinghao Zhang
Summary: This study investigated the spatial differences in compositions, molecular weight structures, and binding mechanisms between dissolved organic matter (DOM) and copper (Cu2+) in Dongping Lake. The results showed that the DOM in the lake exhibited specific differences in space, components, and molecular weights, which have significant implications for understanding the behavior and bioavailability of heavy metals in lakes.
ENVIRONMENTAL POLLUTION
(2022)
Article
Chemistry, Multidisciplinary
Avishek Majumder, Shobhraj Haldar, Nityananda Dutta, Arpan Das, Manindranath Bera
Summary: Three new mononuclear complexes, [Cu(acpa)(H2O)(2)].H2O (1), [Mn(acpa)(H2O)(2)] (2) and [Zn(acpa)(H2O)(2)] (3), containing anthracene-affixed carboxylate-rich tridentate ligand have been synthesized and characterized. Their binding affinity with CT DNA was confirmed by UV-Vis and fluorescence experiments, indicating partial intercalative mode of interaction.
Article
Chemistry, Multidisciplinary
Xueyuan Wang, Eduardo Carrillo-Aravena, Yuandong Wu, Dajiang Mei, Shaoguo Wen, Thomas Doert
Summary: Four cadmium sulfonate complexes were synthesized and their properties were studied using techniques such as crystal structure analysis, Hirshfeld surface analysis, and spectroscopy.
Article
Biochemical Research Methods
Vinicius A. Paiva, Murillo Mendonca, Sabrina A. Silveira, David B. Ascher, Douglas E. Pires, Sandro C. Izidoro
Summary: This study presents a new method, Genetic Active Site Search (GASS)-Metal, for predicting metal-binding sites in proteins. The method uses a parallel genetic algorithm to find candidate metal-binding sites similar to curated templates, and has been thoroughly validated with satisfactory performance.
BRIEFINGS IN BIOINFORMATICS
(2022)
Article
Chemistry, Multidisciplinary
Mengmeng Zhang, Mingzhu Lu, Tianze Qiu, Qiao Wang, Zhenxia Chen, Mingli Deng, Yongtai Yang, Yannan Yang, Wei Li, Yun Ling, Yaming Zhou
Summary: Developing a novel synthetic strategy named gelothermal synthesis, the researchers successfully downsized metal-organic frameworks (MOFs) from polydisperse crystals to monodisperse nanoparticles, which is of great importance for their potential bioapplications. This strategy led to the isolation of MIL-88, CufumDMF, and ZIF-8 nanoparticles. Through extensive studies on gelothermal condition, a possible mechanism was proposed. The monodisperse MIL-88A nanoparticles demonstrated unique advantages over polydisperse ones in terms of in vitro magnetic resonance imaging (MRI), cellular uptake, and drug-carrying properties.
Article
Chemistry, Inorganic & Nuclear
P. Jyothi, V. Sumalatha, D. Rajitha
Summary: Three Co(II) complexes were synthesized and characterized, showing good DNA binding, antimicrobial, and anticancer activities.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Ikram Yagoub, Martin Clemancey, Pierre-Alain Bayle, Adrien Quintard, Guillaume Delattre, Genevieve Blondin, Amelie Kochem
Summary: Cyclopentadienone)iron carbonyl complexes have attracted attention for their use as catalysts in hydrogenation reactions due to their easy synthesis and unique catalytic properties. This study provides a deeper understanding of the species formed and their distribution with added oxidant through Mossbauer spectroscopic and computational investigations.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Michele Anselmi, Monica Baiula, Santi Spampinato, Roberto Artali, Tingting He, Luca Gentilucci
Summary: Alpha 4 beta 1 integrin is a cell adhesion receptor involved in leukocyte migration and accumulation. Antagonists that inhibit leukocyte recruitment are seen as therapeutic options for inflammatory disorders. Few agonists for alpha 4 beta 1 integrin have been discovered, limiting exploration of their potential therapeutic efficacy. Cyclopeptides containing the LDV recognition motif were synthesized and found to be potent agonists, increasing the adhesion of alpha 4 integrin-expressing cells. Computational predictions suggest different ligand-receptor interactions for antagonists or agonists, possibly related to receptor inhibition or activation.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Andrea Delledonne, Martina Orlandini, Paolo P. Mazzeo, Cristina Sissa, Alessia Bacchi, Francesca Terenziani, Paolo Pelagatti
Summary: A series of new extended linkers containing various polyaromatic chromophores were synthesized through Pd-catalyzed cross-coupling reactions. These linkers exhibited fluorescence in the solid state, making them suitable for the fabrication of fluorescent MOFs.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Richard Y. Kong, Joseph B. Parry, Guy R. Anello, Matthew E. Ong, Kyle M. Lancaster
Summary: Molecular main-group hydride catalysts offer a cheap and abundant alternative to transition-metal analogues. This study demonstrates the control of electronic structure in main-group catalysts by systematically varying the ancillary ligand on the metal center. The results show that increasing electron density at the metal center leads to enhanced reactivity, and this understanding was used to develop a highly active Sn-based catalyst.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Lin Li, Wenjie Xu, Zihe Wu, Wei Geng, Shuang Li, Shudong Sun, Mao Wang, Chong Cheng, Changsheng Zhao
Summary: This study focuses on the design of an ultrafast ZnN3-OH2 center in a zinc-dipyrazolate framework to serve as new, efficient, and robust CA-mimetic biocatalysts (CABs). The CABs with mesoporous defects display superior CA-like reaction kinetics, surpassing existing metal-organic frameworks-based biocatalysts. This work provides essential guidance in creating high-performance CA-mimetic biocatalysts for CO2-related catalytic applications.
Article
Chemistry, Multidisciplinary
Yasuhiro Yamauchi, Yutaka Mondori, Yuta Uetake, Yasuo Takeichi, Takahiro Kawakita, Hidehiro Sakurai, Sensuke Ogoshi, Yoichi Hoshimoto
Summary: Designing and modulating the electronic and spatial environments surrounding metal centers is important in the field of chemistry using organometallic compounds. In this study, a Lewis-acid-mediated reversible expansion, contraction, and transformation of the spatial environment surrounding nickel(0) centers was demonstrated. The changes in the electronic states on the Ni centers were analyzed. This work provides a strategy for reversibly modulating the electronic and spatial environment of organometallic complexes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Luana Malacaria, Rosaria Bruno, Giuseppina Anna Corrente, Donatella Armentano, Emilia Furia, Amerigo Beneduci
Summary: This study discusses the complexation of HCCA (coumarin-3-carboxilic acid) with Cr(III), Co(II), Ni(II), Cu(II), and Zn(II) in 0.16 M NaClO4 at 37 degrees C. Potentiometric titrations reveal that complexation occurs in aqueous solution with a ligand-to-metal ion ratio of 1:1 for Cr(III), Ni(II), and Cu(II), and a ratio of 1:1, 2:1, and 3:1 for Co(II) and Zn(II). The coordination sites of HCCA with different metal ions were determined using UV-Vis, IR, and X-ray diffraction. Additionally, new crystal structures for cobalt and nickel metal cations in the HCCA system were reported and discussed. Crystal packing analysis demonstrates the presence of intricate weak interactions that contribute to a novel supramolecular arrangement not previously observed or discussed in the literature on isostructural coordination compounds of coumarin-3-carboxilic acid.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Spectroscopy
Xiaojuan Wang, Zhixiong Zhang, Zhenzhen Liu, Xiqi Ma, Qi Dai, Xiaoqiang Wang, Baosheng Ge, Hua He, Fang Huang
Summary: This study systematically investigated the interactions between ultrasmall graphene quantum dots (GQDs) and biomacromolecules using carbonic anhydrase (CA) as a model protein. The results showed that GQDs could quench the intrinsic fluorescence of CA in a static binding mode driven by van der Waal interactions and hydrogen bonding. Additionally, the binding of GQDs induced slight conformational changes of CA and resulted in the reduction of its biological functions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Biochemistry & Molecular Biology
Aleksandra Marciniak, Weronika Witak, Aleksandra Pieniezna, Justyna Brasun
CHEMISTRY & BIODIVERSITY
(2020)
Article
Chemistry, Inorganic & Nuclear
Aleksandra Kotynia, Aleksandra Marciniak, Justyna Brasun
Article
Biochemistry & Molecular Biology
Aleksandra Marciniak, Weronika Witak, Giuseppina Sabatino, Anna Maria Papini, Justyna Brasun
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2020)
Article
Biochemistry & Molecular Biology
Pawel Lenartowicz, Mateusz Psurski, Aleksandra Kotynia, Aleksandra Pieniezna, Monika Cuprych, Klaudia Poniatowska, Justyna Brasun, Pawel Kafarski
Summary: A new class of dipeptides containing S-substituted dehydrocysteine was prepared and evaluated for their potential in constructing artificial metalloenzymes. Some peptides showed promising antiproliferative activities against various cancer cell lines.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Aleksandra Pieniezna, Aleksandra Kotynia, Justyna Brasun
Summary: The presence of proline in the interaction between copper(II) ions and His(2)-cyclopentapeptide influences the structure and stability of the formed complexes, and has a significant impact on the efficiency of copper(II) coordination.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Aleksandra Kotynia, Benita Wiatrak, Wojciech Kamysz, Damian Neubauer, Paulina Jawien, Aleksandra Marciniak
Summary: Antimicrobial peptides are promising compounds for infection treatment. Metal ions play a crucial role in activating these peptides. This study focused on new pseudopeptides and their coordination behavior with Cu(II) and Ni(II) ions, showing potential biological activity and metal ion-binding capabilities. The cytotoxicity and anti-inflammatory activities of these compounds and their complexes were evaluated, indicating promising results.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Lukasz Szczukowski, Edward Krzyzak, Benita Wiatrak, Paulina Jawien, Aleksandra Marciniak, Aleksandra Kotynia, Piotr Swiatek
Summary: This study synthesized novel N-substituted-1,2,4-triazole-based derivatives of pyrrolo[3,4-d]pyridazinone, some of which showed significant COX-2 inhibitory activity and selectivity, while also helping reduce oxidative stress-induced cell damage in vitro experiments.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Infectious Diseases
Oriana Simonetti, Oscar Cirioni, Gaia Goteri, Guendalina Lucarini, Elzbieta Kamysz, Wojciech Kamysz, Fiorenza Orlando, Giulio Rizzetto, Elisa Molinelli, Gianluca Morroni, Roberto Ghiselli, Mauro Provinciali, Andrea Giacometti, Annamaria Offidani
Summary: LL-37 has a potential future role in the management of infected wounds, promoting wound healing and angiogenesis.
Article
Chemistry, Analytical
Tomasz Wasilewski, Bartosz Szulczynski, Dominik Dobrzyniewski, Weronika Jakubaszek, Jacek Gebicki, Wojciech Kamysz
Summary: Cleaning a quartz crystal microbalance (QCM) is crucial for regenerating biosensors. This article compares three methods (electrochemical, oxygen plasma, and Piranha solution) for cleaning QCM, and evaluates their effectiveness through resonant frequency measurements. The results show that all methods are suitable for cleaning peptide-based biosensors, but Piranha method is the most invasive.
Article
Biochemistry & Molecular Biology
Aleksandra Marciniak, Aleksandra Kotynia, Dominika Szkatula, Edward Krzyzak
Summary: This study showed the results of interactions between non-toxic anti-inflammatory phthalimide analogs and plasma proteins albumin, orosomucoid, and gamma globulins. Through spectroscopic methods and molecular modeling, it was demonstrated that all four tested compounds formed complexes with the analyzed proteins, enhancing the pharmacological efficacy of the drugs. These findings could be a step forward in the study of pharmacokinetics and pharmacodynamics of potential pharmaceuticals.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Ekaterina Pivovarova, Alina Climova, Marcin Swiatkowski, Marek Staszewski, Krzysztof Walczynski, Marek Dziegielewski, Marta Bauer, Wojciech Kamysz, Anna Krzeslak, Pawel Jozwiak, Agnieszka Czylkowska
Summary: This study synthesized three new copper coordination compounds containing thiazole-based derivatives, evaluated their structures and physicochemical characterization, studied pharmacokinetics using SwissADME, and expressed antimicrobial activity as minimum inhibitory concentration (MIC) based on computational and MTT analysis results.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Aleksandra Kotynia, Aleksandra Marciniak, Wojciech Kamysz, Damian Neubauer, Edward Krzyzak
Summary: In this project, the interaction between positively charged oligopeptides and crucial blood plasma proteins was studied using experimental characterization and molecular docking studies. The peptides investigated are rich in NH2 groups of amino acid side chains and have therapeutic properties. The binding interactions with blood plasma components, such as albumin, alpha 1-acid glycoprotein, and gamma-globulin fraction, were investigated under pseudo-physiological conditions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Lukasz Szczukowski, Jadwiga Maniewska, Benita Wiatrak, Paulina Jawien, Edward Krzyzak, Aleksandra Kotynia, Aleksandra Marciniak, Maciej Janeczek, Aleksandra Redzicka
Summary: This study presents extensive evaluation of the biological, spectroscopic, and in silico properties of pyrrolo[3,4-c]pyrrole derivatives, which show promising anti-inflammatory and antioxidant activities with potentially good membrane permeability.
Article
Biology
Edward Krzyzak, Aleksandra Kotynia, Dominika Szkatula, Aleksandra Marciniak
Summary: Phthalimide derivatives, known for their antibacterial, antifungal, and anti-inflammatory properties, were investigated in this study. Four non-toxic derivatives with proven cyclooxygenase inhibitory activity were analyzed for their interaction with plasma proteins using molecular docking and spectroscopic methods. The results revealed binding of all tested compounds to plasma proteins, with the strongest interaction observed with albumin. Changes in protein secondary structure were significant only for gamma globulins.
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)
