Article
Chemistry, Inorganic & Nuclear
Larissa A. Casper, Viktoria Ebel, Michael Linseis, Rainer F. Winter
Summary: In this study, five new intensely green diferrocenylphenylmethylium complexes were synthesized and characterized. The influence of substituents on their electrochemical and spectroscopic properties was investigated, showing a clear impact on the equilibrium between the reduced forms and their corresponding dimers. X-ray crystallography was used to determine the structures of the precursor carbinols and three of the diferrocenylphenylmethylium cations.
DALTON TRANSACTIONS
(2021)
Article
Biochemistry & Molecular Biology
Yanis Toledano-Magana, Mario Nequiz, Lucia Margarita Valenzuela-Salas, Jessica J. Sanchez-Garcia, Rodrigo Galindo-Murillo, Juan Carlos Garcia-Ramos, Elena I. Klimova
Summary: This study describes the amoebicidal activity of five 2-(Z-2,3-diferrocenylvinyl)-4X-4,5-dihydrooxazole derivatives on Entamoeba histolytica trophozoites, as well as the physicochemical, experimental, and theoretical properties that can be used to describe the antiproliferative activity. The growth inhibition capacity of these organometallic compounds is strongly related to a fine balance between the compounds' redox potential and hydrophilic character. Compound 3d presents the highest antiproliferative activity of the series with an IC50 of 23 μM. However, the results of this work provide a pipeline to improve the amoebicidal activity of these compounds through the directed modification of their electronic environment.
Article
Chemistry, Medicinal
Alice Nicolai, Valentina Noemi Madia, Antonella Messore, Daniela De Vita, Alessandro De Leo, Davide Ialongo, Valeria Tudino, Elisabetta Tortorella, Luigi Scipione, Samanta Taurone, Tiziano Pergolizzi, Marco Artico, Roberto Di Santo, Roberta Costi, Susanna Scarpa
Summary: The structural analog of Nocodazole, RDS 60, shows potential anti-cancer properties in HNSCC cell lines by blocking cell cycle, inducing apoptosis, inhibiting cell motility, and reversing epithelial-mesenchymal transition. This compound could be a powerful tool for new approaches in treating HNSCC.
Article
Materials Science, Multidisciplinary
Jihyun Lim, Do-Yeong Choi, Woongsik Jang, Hyeon-Ho Choi, Yun-Hi Kim, Dong Hwan Wang
Summary: Newly synthesized small molecule organic materials, TIPO and 2,4,6-tris(4-(1-phenyl-1H-benzo[d]imidazol)phenyl)-1,3,5-triazine, were introduced as an n-type interlayer in planar perovskite solar cells to enhance electron transport and improve charge extraction and stability. The molecular properties of the constituent molecules, phosphine oxide and benzimidazole, contribute to passivating defects, improving charge transport, and flattening the surface morphology, ultimately increasing device stability. Studies conducted on electrical resistance, surface morphology, and stability analyses demonstrated the effectiveness of these materials for enhancing the performance of perovskite solar cells.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Medicinal
Yong Zheng, Paul M. Stafford, Kurt R. Stover, Darapaneni Chandra Mohan, Mayuri Gupta, Eric C. Keske, Paolo Schiavini, Laura Villar, Fan Wu, Alexander Kreft, Kiersten Thomas, Elana Raaphorst, Jagadeesh P. Pasangulapati, Siva R. Alla, Simmi Sharma, Ramana R. Mittapalli, Irina Sagamanova, Shea L. Johnson, Mark A. Reed, Donald F. Weaver
Summary: IDO1 is a promising therapeutic target for cancer immunotherapy and neurological diseases, and there is ongoing research and development efforts to find highly active inhibitors for human cancers. This study reports the design of novel IDO1 inhibitors based on previous research, with one compound showing strong inhibitory activity. Computational simulations suggest that a hydroxyl group interacts favorably with a specific residue in the protein structure, improving inhibitory potency, and several compounds were found to be brain penetrant with promising pharmacokinetic profiles.
Article
Chemistry, Physical
Bakr F. Abdel-Wahab, Benson M. Kariuki, Hanan A. Mohamed, Mohamed S. Bekheit, Hanem M. Awad, Gamal A. El-Hiti
Summary: The synthesis of heterocycles containing 1,2,3-triazole and pyrazole moieties has been explored for their potential applications in the agrochemical and pharmaceutical fields. These heterocycles have shown promising anti-proliferation properties against cancer cells. In this study, several new 1H-1,2,3-triazole derivatives were successfully synthesized using simple procedures, and their activity against different types of cancer cells and normal cells was evaluated.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Organic
Thomas Schneider, Georg Heinrich, Raphael Koch, Gerhard Maas
Summary: Reactions of a novel propyne iminium salt with electron-rich heteroaromatic ring systems have been reported, resulting in simple electrophilic heteroaromatic ring substitution products and annulation products. The propyne iminium ion acts as a highly reactive ambident electrophile, as well as a 1,3-biselectrophile. Additionally, it can form double cycloaddition products with certain electron-rich heteroaromatic compounds.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Zaki S. Safi, Nuha Wazzan
Summary: This study investigates the geometries and nuclear magnetic resonance (NMR) chemical shifts of an azo dye compound and its tautomer. The results show that the prediction accuracy is higher for H-1-NMR chemical shifts compared to C-13-NMR chemical shifts. Among the examined methods, B97D and TPSSTPSS are the most accurate, while M06-2X is the least accurate. The use of TZVP basis sets leads to more accurate predictions.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Medicinal
Tengfei Xu, Yaping Xue, Jielian Lu, Chuanfei Jin
Summary: The results indicated that most compounds showed potent 5-HT reuptake inhibition, suggesting potential for treating depression. Compound A20 exhibited excellent stability and pharmacokinetic properties in vivo, along with significant antidepressant effects in rats.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Arminas Urbonavicius, Graziana Fortunato, Emilija Ambrazaityte, Elena Plytninkiene, Aurimas Bieliauskas, Vaida Milisiunaite, Renzo Luisi, Egle Arbaciauskiene, Sonata Krikstolaityte, Algirdas Sackus
Summary: An efficient synthetic route to diverse pyrazole-based chalcones from 1-phenyl-1H-pyrazol-3-ols with a formyl or acetyl group at the C4 position is described. Isomeric chalcones were further reacted to form 3,5-disubstituted 1,2-oxazoles via regioselective reaction with N-hydroxy-4-toluenesulfonamide. The novel compounds were characterized by in-depth NMR spectroscopy analysis.
Article
Chemistry, Medicinal
Thomas Lane, Vadim Makarov, Julie A. E. Nelson, Rick B. Meeker, Giuseppina Sanna, Olga Riabova, Elena Kazakova, Natalia Monakhova, Andrey Tsedilin, Fabio Urbina, Thane Jones, Ashley Suchy, Sean Ekins
Summary: Highly active antiretroviral therapy (HAART) has transformed HIV healthcare, but some patients still face severe complications such as HIV-associated neurocognitive disorders (HAND). A new class of NNRTIs, represented by molecule 12126065, shows promising antiviral activity and low toxicity, potentially avoiding HAND. This molecule exhibits good brain penetration, minimal neurotoxicity, and retained activity against HIV mutants.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Selbi Keskin
Summary: The synthesis of a new class of compounds, 1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)pyridin-2(1H)-one derivatives, starting from 2-hydroxynicotinic acid, was reported. The incorporation of a propargyl group into the nitrogen atom of pyridinones was achieved using K2CO3 as a base. Click cycloaddition reactions of alkynes with aryl azide derivatives in the presence of copper(I) catalyst were applied to obtain the target molecules.
Article
Multidisciplinary Sciences
Mariia Yu. Rybak, Anatoliy O. Balanda, Anna P. Yatsyshyna, Igor. M. Kotey, Sergiy A. Starosyla, Volodymyr G. Bdzhola, Lubov L. Lukash, Sergiy M. Yarmoluk, Michael A. Tukalo, Galyna P. Volynets
Summary: This study identified potential antibacterial compounds targeting resistant strains of M. tuberculosis, although further optimization is needed to develop non-toxic antituberculosis agents with a novel mechanism of action.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Inorganic & Nuclear
Anna Kamecka, Andrzej Kapturkiewicz, Lukasz Pipczynski
Summary: The synthesis of two novel cationic [Ir(C^N)2)(N^N)](+) complexes containing deprotonated 1-phenyl-1H-pyrazole or 1-(2,4-difluorophenyl)-1H-pyrazole (C^N) as cyclometalating and 1,10-phenanthroline derivatives (N^N) as ancillary ligands is reported. The complexes exhibit strong luminescence at room temperature in acetonitrile solutions and at 77 K in CH3OH/C2H5OH 1:1 glasses, with luminescence properties depending on the type of ligands and measurement temperature.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Organic
Viola Noti, Dimitra Hadjipavlou-Litina
Summary: In recent years, there has been increasing efforts to develop new multitarget therapies for inflammatory conditions, which are associated with various complex diseases. This research synthesized a new anti-inflammatory compound and found that it exhibited improved biological activities and drug-likeness.
Review
Chemistry, Inorganic & Nuclear
Alexander Hildebrandt, Dominique Miesel, Heinrich Lang
COORDINATION CHEMISTRY REVIEWS
(2018)
Article
Chemistry, Inorganic & Nuclear
J. Matthaeus Speck, Marcus Korb, Alexander Hildebrandt, Heinrich Lang
INORGANICA CHIMICA ACTA
(2018)
Article
Chemistry, Inorganic & Nuclear
J. Matthaeus Speck, Marcus Korb, Alexander Hildebrandt, Heinrich Lang
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2019)
Article
Electrochemistry
Saddam Weheabby, Rasha K. Al-Shewiki, Alexander Hildebrandt, Mohammad A. Abdulmalic, Heinrich Lang, Tobias Rueffer
ELECTROCHIMICA ACTA
(2019)
Article
Chemistry, Multidisciplinary
Andrea Preuss, Sebastian Notz, Eduard Kovalski, Marcus Korb, Thomas Blaudeck, Xiao Hu, Joerg Schuster, Dominique Miesel, Tobias Rueffer, Alexander Hildebrandt, Katja Schreiter, Stefan Spange, Stefan E. Schulz, Heinrich Lang
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Biochemistry & Molecular Biology
Steve W. Lehrich, Julia Mahrholdt, Marcus Korb, Alexander Hildebrandt, Jannie C. Swarts, Heinrich Lang
Article
Chemistry, Inorganic & Nuclear
Julia Mahrholdt, Eduard Kovalski, Marcus Korb, Alexander Hildebrandt, Valerije Vrcek, Heinrich Lang
Summary: The synthesis of anti-[1.1](2,17)(6,13)ferrocenophane-1,12-dione is discussed, with different reactivities observed upon addition of various reagents. Electrochemical studies indicated separate reversible one-electron events for compounds 2-4 and an irreversible event for compound 5. Theoretical and in situ UV-vis/NIR studies supported the different behaviors and interactions among the ferrocenyls.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Alexander Hildebrandt, Eduard Kovalski, Marcus Korb
Summary: The synthesis of a platinum alkynyl compound was achieved, and the study found that the feedback from platinum to the pi-system influenced the redox processes, leading to multiple oxidation reactions. Spectroelectrochemical studies revealed a high degree of delocalization in the ligand, while direct electron transfer through platinum was not observed.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Eduard Kovalski, Dieter Schaarschmidt, Alexander Hildebrandt
Summary: A sigma-alkynyl gold(I) complex with an anthryl pi-system and a triarylamine functionality was synthesized through a ligand exchange reaction. Electrochemical oxidation of the triarylamine functionality led to the formation of a new organic molecule with multiple redox processes and an irreversible oxidation event. Spectro-electrochemical studies confirmed the generation of the new molecule with intense charge transfer excitations.
Article
Chemistry, Inorganic & Nuclear
Sebastian Scharf, Eduard Kovalski, Tobias Rueffer, Alexander Hildebrandt, Heinrich Lang
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
(2020)
Article
Chemistry, Multidisciplinary
Khaled Al Khalyfeh, Deeb Taher, Wissam Helal, Marcus Korb, Imad Hamadneh, Ammar Al-Dujaili, Amer Imraish, Hana M. Hammad, Randa M. Al-As'ad, Sultan T. Abu-Orabi, Alexander Hildebrandt, Heinrich Lang
JOURNAL OF CHEMICAL SCIENCES
(2020)
Article
Chemistry, Inorganic & Nuclear
Andrea Preuss, Marcus Korb, Dominique Miesel, Tobias Rueffer, Alexander Hildebrandt, Heinrich Lang
DALTON TRANSACTIONS
(2019)
Article
Chemistry, Inorganic & Nuclear
Alexander Hildebrandt, Dominique Miesel, Qing Yuan, Janine Freytag, Julia Mahrholdt, Heinrich Lang
DALTON TRANSACTIONS
(2019)
Article
Chemistry, Inorganic & Nuclear
Rasha K. Al-Shewiki, Marcus Korb, Alexander Hildebrandt, Stefan Zahn, Sergej Naumov, Roy Buschbeck, Tobias Rueffer, Heinrich Lang
DALTON TRANSACTIONS
(2019)
Review
Chemistry, Physical
Dominique Miesel, Alexander Hildebrandt, Heinrich Lang
CURRENT OPINION IN ELECTROCHEMISTRY
(2018)
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)