Article
Chemistry, Organic
Cedric L. Hugelshofer, Jianming Bao, Juana Du, Eric Ashley, Wensheng Yu, Tao Ji, Bin Hu, Dejun Liu, Ramu Rondla, Srinivas Karampuri, Vishal Sharma, Krishna Ethiraj, Yeon-Hee Lim
Summary: This article provides details of a synthetic strategy for the efficient preparation of an important cyclic sulfone compound for medicinal chemistry. A practical and scalable protocol has been developed to easily access the target compound from commercially available and inexpensive starting materials, enabling the synthesis of various related derivatives.
Article
Polymer Science
Guilhem Coste, Dimitri Berne, Vincent Ladmiral, Claire Negrell, Sylvain Caillol
Summary: Polyurethane foams, currently dominating the global foam market, face the challenge of using toxic isocyanate reagents. A new tetrafunctional cyclic carbonate, TC6, has been synthesized, leading to the successful production of polyhydroxyurethane (PHU) foams. These PHU foams exhibit interesting properties and have the potential to be used in applications such as seating or insulation mattresses.
EUROPEAN POLYMER JOURNAL
(2022)
Article
Nanoscience & Nanotechnology
Pengcheng Miao, Ziyue Jiao, Jie Liu, Maomao He, Guanjun Song, Zhiyong Wei, Xuefei Leng, Yang Li
Summary: In this study, a new kind of shape memory polyhydroxyurethane (PHU) material with outstanding mechanical properties and chemical recyclability is prepared through the aminolysis reaction of cyclic carbonate. The synthetic strategy, which is isocyanate-free and uses CO2 as a building block, is environmentally friendly and aligns with the concept of carbon neutrality. The thermal properties, mechanical properties, and dynamic behaviors of the PHUs are investigated, showing superior performance compared to other reported PHU-based materials.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Guanyu Tao, Feichao Yang, Lujun Zhang, Yang Li, Zheng Duan, Francois Mathey
Summary: A simple method for synthesizing luminescent lambda(5)-phosphanaphthalenes and zwitterionic nido-carborane fused six-membered phosphacycles has been developed. The method involves the reaction of ortho-phosphinobenzoaldehydes or ortho-phosphinocarboranylaldehydes with an electron-deficient alkyne, respectively, to achieve similar results with imino analogues. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
CHINESE CHEMICAL LETTERS
(2021)
Article
Chemistry, Organic
Anthony J. Varni, Manami Kawakami, Stephanie A. Tristram-Nagle, David Yaron, Tomasz Kowalewski, Kevin J. T. Noonan
Summary: In this study, a synthesis and property investigation of an ester-functionalized macrocyclic sexifuran (C6FE) was presented. The molecule was synthesized in a single step with a commercially available palladium catalyst, showing a 34% yield. The macrocycle exhibits planar structure with minimal ring strain and partial crystallinity, and can undergo oxidation and reduction in solution. Quantum chemical studies suggest that the aromaticity along the macrocycle may influence reversible electrochemistry. Overall, this synthetic approach could be a foundation for constructing new furan-based conjugated macrocycles.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Review
Chemistry, Multidisciplinary
Rosalie S. Doerksen, Tomas Hodik, Guanyu Hu, Nancy O. Huynh, William G. Shuler, Michael J. Krische
Summary: This article summarizes ruthenium-catalyzed cycloadditions to form five-, six-, and seven-membered rings, with a focus on applications in natural product total synthesis. The content is organized by ring size and reaction type, emphasizing processes that involve the formation of at least one C-C bond. Processes involving stoichiometric ruthenium, dehydrogenative condensation-reduction, s-bond activation-initiated annulations without net reduction of bond multiplicity, and photochemically promoted ruthenium-catalyzed cycloadditions are not covered.
Article
Chemistry, Organic
Paul C. Ruer, Youssef Nassar, Peter Polak, Janine Cossy
Summary: Five-membered exo-glycals were synthesized from six-membered 2-iodo-endo-glycals through a metal/halogen exchange/ring-opening sequence followed by a cyclization catalyzed by Ag2CO3.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Review
Multidisciplinary Sciences
Gang Liu, Xing-Qiu Chen, Bilu Liu, Wencai Ren, Hui-Ming Cheng
Summary: The article discusses the significant role of the six-membered ring structure unit in various material systems and introduces the concept of SMR inorganic materials. Through analysis of these materials, it is found that the six-membered ring structure unit plays a deterministic role in many properties and phenomena.
NATIONAL SCIENCE REVIEW
(2021)
Review
Biochemistry & Molecular Biology
Francesca Fontana, Benedetta Bertolotti
Summary: This review provides a survey of different synthetic methods for achieving this fascinating class of compounds.
Review
Chemistry, Multidisciplinary
Huicong Yang, Tong Yu, Zhenhua Sun, Hui-Ming Cheng, Feng Li
Summary: Six-membered-ring inorganic materials have various applications in electrochemical reactions, and their functions and mechanisms have been extensively discussed, which contribute to a better understanding and development of the potential of electrochemical reactions.
TRENDS IN CHEMISTRY
(2022)
Review
Polymer Science
Zaher Abdel Baki, Hanna Dib, Tuba Sahin
Summary: This review focuses on the synthesis of polycarbonate via ring-opening polymerization of cyclic carbonates. It discusses various initiating systems and their mechanisms, as well as the challenges in preparing the polymers and controlling their properties. It highlights the importance of glycerol carbonate as a CO2 fixation agent and its potential as an alternative to Bisphenol A in polycarbonate synthesis.
Article
Biochemistry & Molecular Biology
Priyanka Pradeep Patil, Imre Vass, Milan Szabo
Summary: Photosynthesis is a series of redox reactions that involve electron transport processes. The cyclic electron flow plays a role in fine tuning photosynthesis. In this study, we characterized the electron transport processes in microalgae and found a wave phenomenon in the fluorescence relaxation profiles, which is a species-specific indicator of the redox reactions and cyclic electron flow.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Kajal Balayan, Himanshu Sharma, Kumar Vanka, Sapna Ravindranathan, Rajesh G. Gonnade, Sakya S. Sen
Summary: The combination of 6-SIDipp center dot AlH3 (1) and 5-IDipp leads to the expansion of 6-NHC ring, while the five-membered NHC remains unchanged. This phenomenon is further explained by DFT studies. Moreover, the substitution chemistry of compound 1 with TMSOTf and I-2 results in the replacement of a hydride by triflate or iodide ligands.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Abel de Cozar, Carlos Romero-Nieto
Summary: In the context of materials science, six-membered phosphorus heterocycles have tunable properties through phosphorus post-functionalization and unique hyperconjugative effects. This study demonstrates that in cationic six-membered phosphorus heterocycles, an increase in hyperconjugation does not affect the S0-S1 gap. The findings highlight the potential of pi-extended systems based on six-membered phosphorus spiroheterocycles for accessing properties beyond those achieved through hyperconjugative effects.
INORGANIC CHEMISTRY
(2023)
Review
Chemistry, Organic
Xuan-Chi Yu, Can-Can Zhang, Ling-Tao Wang, Jiao-Zhe Li, Ting Li, Wen-Ting Wei
Summary: Seven- and eight-membered rings are commonly found in natural products and drugs. Their synthesis is challenging due to transition state nonbonding interactions, torsional strains, flexible conformations, and complex multi-ring skeletons. The radical strategy, using metal-induced, oxidant-initiated, electrochemically promoted, or photoinduced systems, offers a powerful tool to overcome the limitations of poor selectivity and harsh reaction conditions. This review highlights recent advances in the synthesis of seven- and eight-membered rings and provides insights into exploring new reaction models in radical chemistry.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Sai Manoj N. V. T. Gorantla, Harsha S. Karnamkkott, Selvakumar Arumugam, Sangita Mondal, Kartik Chandra Mondal
Summary: The factors influencing the binding, activation, and reduction of N-2 by FeMoco of nitrogenase are not completely understood. Model complexes have been synthesized and studied, but they differ from the real Fe-sites of FeMoco. This study focuses on a series of complexes containing a weak field ligand and investigates their effect on Fe-centers and N-2 binding.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Selvakumar Arumugam, Madhuri Bhattacharya, Sai Manoj N. V. T. Gorantla, Kartik Chandra Mondal
Summary: Two new series of air stable compounds containing cAAC(X)= fluorene/indene groups were isolated and characterized. These compounds showed green light emission and solvatochromism in solution, and exhibited a quasi-reversible electron transfer process as confirmed by cyclic voltammogram and electron paramagnetic resonance studies. DFT/TDDFT calculations and energy decomposition analysis were performed to study their bonding and electronic transitions. These redox active and thermally stable organic molecules may have potential applications in molecule based spin memory devices.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Cell Biology
Xiaoyu Song, Fengrui Yang, Tongtong Yang, Yong Wang, Mingrui Ding, Linge Li, Panpan Xu, Shuaiyu Liu, Ming Dai, Changbiao Chi, Shengqi Xiang, Chao Xu, Dong Li, Zhikai Wang, Lin Li, Donald L. Hill, Chuanhai Fu, Kai Yuan, Pilong Li, Jianye Zang, Zhonghuai Hou, Kai Jiang, Yunyu Shi, Xing Liu, Xuebiao Yao
Summary: EB1 proteins form molecular condensates through liquid-liquid phase separation (LLPS) to constitute the microtubule plus-end machinery, which is crucial for cellular dynamics and organelle movements.
NATURE CELL BIOLOGY
(2023)
Article
Chemistry, Inorganic & Nuclear
Sunil Kumar, Selvakumar Arumugam, Bjoern Schwarz, Helmut Ehrenberg, Kartik Chandra Mondal
Summary: A representative Co(II) based single ion magnet (SIM) with N2O2 donor set and distorted pseudo-tetrahedral geometry has been synthesized and characterized. The atomic and electronic structure have been studied through DC magnetometry, ab-initio multi-reference CASSCF calculations, and qualitative ligand field theory. AC magnetometry has been used for the investigation of spin-lattice relaxation with temperature and magnetic field variations.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Shengnan Zhang, Juan Li, Qianhui Xu, Wencheng Xia, Youqi Tao, Chaowei Shi, Dan Li, ShengQi Xiang, Cong Liu
Summary: Many amyloid fibrils associated with neurodegenerative diseases consist of an ordered fibril core and disordered terminal regions. In this study, we used solid-state NMR and cryo-EM techniques to explore the intact structure of an alpha-syn fibril and studied its conformational dynamics upon binding to the LAG3 receptor. Our findings reveal the synergistic conformational transition of the intrinsically disordered terminal regions of alpha-syn, shedding light on the role of these regions in regulating amyloid fibril structure and pathology.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Manoj V. Mane, Sayan Dutta, Luigi Cavallo, Bholanath Maity
Summary: In recent years, there has been a growing interest in multicomponent reactions (MCRs) as environmentally friendly and reliable synthetic strategies for drug discovery. This article discusses theoretical investigations that unravel the mechanistic pathways in IrIII-CuII dual-catalyzed MCRs, experimentally reported by MacMillan, and explains the origin of selectivity between three-component and two-component coupling products. The results suggest that N-H bond activation is the rate-limiting step and the preference for a two-component product is governed by the relative stabilities of the CuII-X center dot intermediates.
Article
Chemistry, Multidisciplinary
Ekta Nag, Maria Francis, Divya Putta, Sudipta Roy
Summary: In this study, it was found that carbene-anchored chloro-phosphinidenes undergo unprecedented rearrangements under reductive-thermal conditions in the presence of alkali metals, resulting in the formation of corresponding phosphides and amide complexes. Among them, phosphide 3a exhibits photoluminescent properties and can be used for the synthesis of metal clusters. Additionally, alkali metals can directly stabilize cyclic alkyl(aminoboryl) phosphaalkenes.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Ekta Nag, Maria Francis, Sudipta Roy
Summary: A novel octa-nuclear AuI-cluster has been successfully isolated and structurally characterized. Further studies on its electronic properties have been conducted using NMR, ESI-MS, cyclic voltammetry, and computational methods. Additionally, a new AuI8 cluster has been stabilized and isolated, and its photoluminescence properties have been investigated.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Sonam Suthar, Kartik Chandra Mondal
Summary: In this study, energy decomposition analysis and natural orbital for chemical valence (EDA-NOCV) were used to investigate the bonding in cyclopropane rings of 49 different organic compounds. The majority of compounds (37/49) were found to preferentially form two dative covalent C-C bonds, while a smaller portion (7/49) favored two covalent electron sharing bonds. A few compounds (5/49) showed flexibility to adopt either bonding mode. The effects of functional groups on the bonding were also studied. The bonding analyses were supported by QTAIM analyses, which revealed distinct parameters for C-3 rings compared to normal hydrocarbons. The bonding in most cyclopropane rings was found to be similar to metal-olefin systems.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Krishnamoorthy Muralirajan, Rajesh Kancherla, Bholanath Maity, Safakath Karuthedath, Frederic Laquai, Luigi Cavallo, Magnus Rueping
Summary: In this manuscript, the authors describe the development of excited-state Pd-catalyzed dehydrogenative beta-sulfonylation reactions using amines and aryl sulfonyl chlorides via intermolecular hydrogen atom transfer and C-S cross-coupling processes at room temperature. The reaction efficiently converts amines into stable sulfonyl-substituted enamines and provides evidence for both static and dynamic quenching, as well as inner-sphere and outer-sphere mechanisms.
NATURE COMMUNICATIONS
(2023)
Review
Chemistry, Multidisciplinary
Bholanath Maity, Sayan Dutta, Luigi Cavallo
Summary: C-sp3-C cross-coupling, a dream reaction in the chemical community, can be achieved by activating C-sp3-H bonds through visible light-induced transition metal-catalysis under mild reaction conditions. However, this research area is still in its early stages due to the chemical and technical complexity of this catalysis. Complementary experimental and theoretical mechanistic studies are essential for rational advances, as each approach alone is inadequate to clarify the operative mechanisms. In this tutorial review, we summarize representative experimental and computational mechanistic studies, highlighting the weaknesses, strengths, and synergies between the two approaches.
CHEMICAL SOCIETY REVIEWS
(2023)
Article
Chemistry, Inorganic & Nuclear
Selvakumar Arumugam, Bjoern Schwarz, Prathap Ravichandran, Sunil Kumar, Liviu Ungur, Kartik Chandra Mondal
Summary: This work investigates the dynamic magnetic properties of a complex [(Cp-Ar3)(4)(Dy2Cl4K2)-Cl-III]& BULL;3.5(C7H8) synthesized using a tri-aryl-substituted cyclopentadienyl ligand (Cp-Ar3). The Dy(III)-metallocene weakly couples via K2Cl4 and exhibits slow relaxation of magnetization below 14.5 K under zero applied dc field through KD3 energy levels with an energy barrier of 136.9/133.7 cm(-1) at the Dy sites. The coordination of two chloride ions at each Dy centre leads to geometrical distortion and reduction of the single-ion axial anisotropy energy barrier.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Maria Francis, Sudipta Roy
Summary: Theoretical studies were conducted on the stability, chemical bonding, and reactivity of monomeric gallium phosphides. The analysis of different ligand-stabilized gallium phosphide monomers using density functional theory revealed the synthetic viability of these species in the presence of stable singlet carbenes and N-heterocyclic carbene ligands.
Article
Chemistry, Multidisciplinary
Rajesh Kancherla, Krishnamoorthy Muralirajan, Sayan Dutta, Kuntal Pal, Bo Li, Bholanath Maity, Luigi Cavallo, Magnus Rueping
Summary: The development of metal complexes that can function as both photocatalysts and cross-coupling catalysts is challenging. This study reports that divalent palladium can act as a light-absorbing species to achieve carbon-nitrogen cross-coupling reactions under air. Palladium acetate can be used as both the photocatalyst and cross-coupling catalyst for the selective cross-coupling amination of differently substituted aryl halides at room temperature.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Bo Li, Liang Yi, Bholanath Maity, Jiaqi Jia, Yuqin Shen, Xiang-Yu Chen, Luigi Cavallo, Magnus Rueping
Summary: Noncovalent interactions, particularly halogen bonding, play a crucial role in organic synthesis and catalysis, including the synthesis of organoselenium compounds. By utilizing the reaction balance between an electron donor-acceptor complex and Ph2Se2, the halogen bonding interaction facilitates the formation of C-Se bonds through the capture of alkyl radicals. This synthetic strategy has been successfully applied in the transformation of various carboxylic acids, natural products, drugs, and alpha-selenoamino acids.
