Article
Chemistry, Multidisciplinary
Simon de Graaff, Kevin Schwitalla, Hermann Thye, Zainab Yusufzadeh, Michael Willms, Marc Schmidtmann, Rudiger Beckhaus
Summary: Using sterically demanding pentafulvenes, the benzene ligand in CpV(η6-C6H6) is successfully exchanged, resulting in the formation of vanadium pentafulvene and benzofulvene complexes. The molecular structures of the target compounds suggest a p-(5):s-(1) coordination mode with a vanadium(III) center. Reactivity studies of the pentafulvene complexes reveal the synthesis of unprecedented vanadocene(III) compounds.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Manfred Drusgala, Philipp Fruhwirt, Gabriel Glotz, Katharina Hogrefe, Ana Torvisco, Roland C. Fischer, H. Martin R. Wilkening, Anne-Marie Kelterer, Georg Gescheidt, Michael Haas
Summary: The research team synthesized a novel isolable geminal bisenolate compound and demonstrated its potential as a building block for organometallic reagents. The structure of these derivatives was confirmed by NMR and X-ray crystallographic analysis, while their optical properties were characterized through UV/Vis spectra and DFT calculations. These compounds were shown to be efficient in reacting with different types of electrophiles, yielding novel Ge-based photoinitiators, highlighting their potential application in macromolecular chemistry.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Medicinal
Yuliana Zabolotna, Dmitriy M. Volochnyuk, Sergey Ryabukhin, Kostiantyn Gavrylenko, Dragos Horvath, Olga Klimchuk, Oleksandr Oksiuta, Gilles Marcou, Alexandre Varnek
Summary: Most existing computational tools for de novo library design focus on generating, selecting, and combining structural motifs to form new library members. However, these approaches appear to be more theoretical and disconnected from reality due to the lack of a direct link between the chemical space of the retrosynthesized fragments and the pool of available reagents. This paper presents a new open-source toolkit called Synthons Interpreter (SynthI), which merges these two chemical spaces into a single synthons space.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Multidisciplinary
James D. Nobbs, Sigit Sugiarto, Xin Yi See, Choon Boon Cheong, Srinivasulu Aitipamula, Ludger P. Stubbs, Martin van Meurs
Summary: Secondary phosphines are important building blocks in organic chemistry, and a practical synthesis of the bulky secondary phosphine synthon 2,2,6,6-tetramethylphosphinane (TMPhos) is reported. TMPhos, a close structural relative of di-tert-butylphosphine, can be obtained on a multigram scale from an inexpensive precursor, ammonium hypophosphite. The synthesis and isolation of TMPhos and its potential applications in ligand construction are described.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Emilis Gudelis, Sonata Krikstolaityte, Monika Stanciauskaite, Urte Sachleviciute, Aurimas Bieliauskas, Vaida Milisiunaite, Rokas Jankauskas, Neringa Kleiziene, Frank A. Slok, Algirdas Sackus
Summary: Here, a simple and efficient synthetic route for the preparation of new heterocyclic amino acid derivatives containing azetidine and oxetane rings was described. The synthesis and diversification of novel heterocyclic amino acid derivatives were achieved through various reactions including Horner-Wadsworth-Emmons reaction, aza-Michael addition, Suzuki-Miyaura cross-coupling, and others. The structures of the synthesized compounds were confirmed via spectroscopic techniques and HRMS investigations.
Article
Chemistry, Multidisciplinary
Dina H. Elnaggar, Ashraf M. Mohamed, Naglaa A. Abdel Hafez, Mohamed E. Azab, Manar E. A. Elasasy, Hanem M. Awad, Thoraya A. Farghaly, Abd El-Galil E. Amr
Summary: In this study, new pyridinethione and thienopyridine derivatives were synthesized and evaluated for their antitumor activity. The results demonstrated that certain compounds exhibited promising antiproliferative effects against human hepatocellular and colon carcinoma cells.
Article
Chemistry, Multidisciplinary
Ahmad Reza Moosavi-Zare, Hamid Goudarziafshar, Zahra Bahrami
Summary: A novel Schiff base complex and catalyst, Nano-Cu-(4-chloro-3-nitrophenyl-salicylaldimine-pyranopyrimidine dione)(Cl)(2) {nano-[Cu-4C3NSP](Cl)(2)}, was designed and successfully tested in the reaction, leading to high yields (73-95%) of pyrimido[4,5-b]quinoline derivatives.
RESEARCH ON CHEMICAL INTERMEDIATES
(2023)
Article
Materials Science, Multidisciplinary
Issam Abu Irwaq, Marwan Alquran, Mohammed Ali, Imad Jaradat, M. S. M. Noorani
Summary: This study redesigns a generalized power series method to solve problems involving both fractional and integer derivatives, focusing on the fractional-integer singularly perturbed boundary problem. The impact of three parameters – perturbation factor, delay factor, and fractional-order factor – embedded in the problem is investigated. Tables and 2D plots are provided to validate the findings.
RESULTS IN PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Xin He, Pengchen Ma, Yuhai Tang, Jing Li, Shenyu Shen, Martin J. Lear, K. N. Houk, Silong Xu
Summary: We report a phosphine-catalyzed (3 + 2) annulation of cyclopropenones with various electrophilic pi systems, yielding products including butenolides, butyrolactams, maleimides, and iminomaleimides in high yields with a wide range of substrates. An alpha-ketenyl phosphorous ylide is identified as the key intermediate, which undergoes preferential catalytic cyclization with aldehydes. This phosphine-catalyzed activation of cyclopropenones provides a versatile C-3 synthon for formal cycloadditon reactions.
Article
Chemistry, Physical
S. HariPrasad, N. R. Sreenatha, B. Suchithra, R. Nagesh, G. R. Suman, B. N. Lakshminarayana, A. S. Jeevan Chakravarthy
Summary: A novel trimethylsilyl anionic synthon, 9-(4'-trimethylsilyl-1',2',3'-triazol-1'-yl)methylanthracene, was synthesized with a copper-catalyzed reaction. The compound was characterized by X-ray diffraction analysis, revealing its crystal structure and intermolecular interactions. Density functional theory studies were performed to investigate the compound's electronic properties and reactivity. Furthermore, the compound was protodesilylated to obtain 9-(1',2',3'-triazol-1'-yl)methylanthracene, which was subjected to molecular docking and corrosion inhibitory studies.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Medicinal
Tao Chen, Yun Huang, Junxian Hong, Xikang Wei, Fang Zeng, Jialin Li, Geting Ye, Jie Yuan, Yuhua Long
Summary: The latest research suggests that anti-tumor agents with COX-2 inhibitory activity may enhance their efficacy. A series of sclerotiorin derivatives were synthesized and screened for their cytotoxic and COX-2 inhibitory activity. Some compounds showed good cytotoxicity and moderate to good COX-2 inhibition, with potential as anti-tumor agents.
Article
Chemistry, Physical
Yuejing Zeng, Jin Yang, Xiu Shen, Ruiyang Li, Zhiqiang Chen, Xiao Huang, Peng Zhang, Jinbao Zhao
Summary: A new lithiated-interpenetrating network gel-polymer electrolyte (LIPN-GPEs) has been designed and fabricated by ultraviolet-irradiation radical polymerization. The LIPN-GPEs exhibit excellent mechanical strength and flexibility due to the interpenetrating network, which eliminates volume changes of the lithium anode during the deposition/stripping process. Furthermore, the LIPN-GPEs demonstrate better self-supporting nature, high ionic conductivity, and stable SEI composition, making them ideal for lithium metal batteries. The study also shows that the LIPN-GPEs have wider electrochemical window, exceptional thermal stability, and good high-voltage resistance, indicating their potential in wearable devices.
JOURNAL OF POWER SOURCES
(2022)
Review
Biochemistry & Molecular Biology
Deeksha Kaloni, Sarah T. Diepstraten, Andreas Strasser, Gemma L. Kelly
Summary: Acquired resistance to cell death is a key characteristic of cancer. The BCL-2 protein family members have important roles in regulating apoptotic cell death. Abnormal expression of pro-survival BCL-2 family proteins or reduction in pro-apoptotic BCL-2 family proteins, both leading to inhibition of apoptosis, are commonly observed in various types of cancer. The critical role of pro-survival and pro-apoptotic BCL-2 family proteins in apoptosis regulation makes them attractive targets for cancer treatment. This review discusses the roles of different pro-survival and pro-apoptotic members of the BCL-2 protein family in normal development and organismal function, as well as how defects in apoptosis control contribute to cancer development and therapy resistance. Lastly, the development of inhibitors targeting pro-survival BCL-2 proteins, known as BH3-mimetic drugs, as novel agents for cancer therapy is discussed.
Article
Chemistry, Organic
David Leparfait, Feng Xiao, Delphine Coupri, Sabrina Gueulle, Florie Desriac, Aurelie Budin-Verneuil, Nicolas Verneuil, Axel Hartke, Emmanuel Pfund, Thierry Lequeux
Summary: Tri- and tetra-substituted alkenes, including fluoroalkenes, were obtained via selective ring-opening reaction of functionalized oxetanes. By introducing adenine nucleic base, alkenyl and fluoroalkenyl derivatives were synthesized as potential nucleoside mimics and evaluated for their activity against DltA enzyme.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Manzar Abbas, Wojciech P. Lipinski, Karina K. Nakashima, Wilhelm T. S. Huck, Evan Spruijt
Summary: Liquid-liquid phase separation is crucial in creating cellular compartments and protocells, and the design of short peptide synthons for phase separation is significant. These synthons can concentrate biomolecules and catalyze anabolic reactions, showing potential for new coacervate-based protocells.
Article
Chemistry, Multidisciplinary
Andrea Francesca Quivelli, Federico Vittorio Rossi, Paola Vitale, Joaquin Garcia-Alvarez, Filippo Maria Perna, Vito Capriati
Summary: A sustainable and efficient two-step methodology for the synthesis of Thenfadil has been developed, utilizing a combination of reductive amination and Cu-catalyzed C-N coupling reactions in environmentally responsible deep eutectic solvents. Under optimized conditions, both reactions proceed smoothly with good yields and suppression of side products. A simplified workup procedure and the potential for scale-up and synthesis of analogs have also been demonstrated.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Organic
Luciana Cicco, Filippo Maria Perna, Aurelia Falcicchio, Angela Altomare, Francesco Messa, Antonio Salomone, Vito Capriati, Paola Vitale
Summary: A metal-free and environmentally friendly approach was developed for the synthesis of important 1,2,3-triazole compounds. This method not only allows for high-yield synthesis of target products at room temperature and under aerobic conditions, but also enables the synthesis of pharmaceutically relevant triazole derivatives through a one-pot process, simplifying the synthetic steps.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Giuseppe Dilauro, Luciana Cicco, Paola Vitale, Filippo Maria Perna, Vito Capriati
Summary: Deep eutectic solvent, choline chloride/glycerol, has been proven to be an effective and sustainable reaction medium for the synthesis of valuable tetrahydrofuran and tetrahydropyran derivatives. The reaction proceeds under aerobic conditions, without the need for additional ligands, and has a good substrate scope.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Luciana Cicco, Marianna Roggio, Marcos Lopez-Aguilar, Marina Ramos-Martin, Filippo Maria Perna, Joaquin Garcia-Alvarez, Paola Vitale, Vito Capriati
Summary: An efficient, selective, and sustainable catalytic method has been developed for the oxidation of activated alcohols to the corresponding carbonyl compounds. The reaction proceeds under mild conditions and yields high product yields.
Article
Biotechnology & Applied Microbiology
Antonino Biundo, Arne Stamm, Ruggiero Gorgoglione, Per-Olof Syren, Silvio Curia, Bernhard Hauer, Vito Capriati, Paola Vitale, Filippo Perna, Gennaro Agrimi, Isabella Pisano
Summary: The development of biorefinery approaches is relevant for sustainable production of valuable compounds. Waste cooking oils can be used as renewable resources for the production of hydroxy fatty acids and polyesters, contributing to reduced environmental impact. This study highlights the potential of waste products in achieving sustainable production through a chemo-enzymatic approach.
ENZYME AND MICROBIAL TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Maria J. Rodriguez-Alvarez, Sergio E. Garcia-Garrido, Serena Perrone, Joaquin Garcia-Alvarez, Vito Capriati
Summary: The use of Deep Eutectic Solvents (DESs) as reaction media for transition-metal-catalyzed organic transformations has gained significant interest in the past decade. These solvents, derived from renewable and non-toxic precursors, offer advantages such as easy recyclability and compatibility with heterogeneous catalysis. Recent studies have demonstrated the efficient coupling of transition-metal-based nanoparticles with DESs in various synthetic protocols, including coupling reactions, oxidation/reduction processes, heterocycle synthesis, and polymerization reactions.
CURRENT OPINION IN GREEN AND SUSTAINABLE CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Giuseppe Dilauro, Cosimo Luccarelli, Andrea F. F. Quivelli, Paola Vitale, Filippo M. M. Perna, Vito Capriati
Summary: Advancing the use of polar organometallics in bio-inspired solvents, this study demonstrates the effective generation of organosodium compounds through different synthetic routes. These sodiated species have been selectively trapped with a variety of electrophiles in competition with protonolysis, showing wide applicability in different solvents and conditions. The practicality of this synthetic protocol is highlighted by the successful synthesis of a multigram-scale drug using sodium-mediated reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Luciana Cicco, Giuseppe Dilauro, Mara Pulpito, Vito Capriati
Summary: Due to their handedness and wide scope, transition-metal, organo-, and biocatalyzed tandem processes are routine and highly sought-after methods as they increase synthetic efficiency and simplify the production of complex organic molecules with desired selectivity by reducing the number of laboratory operations and the quantities of chemicals and solvents used.
CURRENT OPINION IN GREEN AND SUSTAINABLE CHEMISTRY
(2023)
Article
Chemistry, Physical
Gianluca Parisse, Daniele Narzi, Benny Danilo Belviso, Vito Capriati, Rocco Caliandro, Massimo Trotta, Leonardo Guidoni
Summary: Deep eutectic solvents (DESs) are versatile solvents that can be manipulated to improve the performance of biomolecules. A recent study has investigated the effects of hydrated DESs on protein dynamics using molecular dynamics simulations. The results show that DESs can restrict protein motion and increase the overall structural rigidity. Furthermore, specific interactions between DES components and protein residues have been identified, suggesting the potential for protein crystallization in the presence of hydrated DESs.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Organic
Marzia Dell'Aera, Filippo Maria Perna, Paola Vitale, Antonio Salomone, Angela Altomare, Vito Capriati
Summary: The nucleophilic addition (alkylation/arylation) of lithium tetraorganozincate species (R4ZnLi2) to coumarin derivatives proceeds effectively with a reaction time of only 30 minutes and under mild conditions (0 degrees C) without the need for additional solvents. The reaction exhibits high chemoselectivity and remarkable diastereoselectivity (up to 96:4) when the resulting intermediates are trapped with external electrophiles. The stereochemistry of the major trisubstituted stereoisomer was determined through a combination of 2D NOESY experiments and DFT calculations.
Article
Chemistry, Organic
Davide Arnodo, Marina Ramos-Martin, Luciana Cicco, Vito Capriati, Nicolas Rios-Lombardia, Javier Gonzalez-Sabin, Alejandro Presa Soto, Joaquin Garcia-Alvarez
Summary: The highly efficient biodeoximation of aromatic ketoximes, promoted by the enzymatic oxidative system laccase/TEMPO/O-2, has been successfully combined with the fast and chemoselective addition of highly-polar s-block organometallic reagents (RLi/RMgX), resulting in the synthesis of highly-substituted tertiary alcohols. This one-pot tandem protocol enables the selective synthesis of tertiary alcohols under mild reaction conditions without the need for intermediate isolation/purification steps.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
