Article
Biochemistry & Molecular Biology
Shuo Wu, Bingfei Yan, Shaoli Liu, Wenzuo Li
Summary: This study investigates the addition reaction of stannylenoid compound H2SnLiF with ethylene using density functional theory. Two possible pathways are found, with the two-step reaction pathway through the ternary ring product c-H2Sn(CH2)(2) being the most favorable, leading to the formation of a five-membered ring product. Solvation studies suggest that the addition reactions are more likely to occur in the presence of THF solvents. This work provides theoretical support for the reactions of stannylenoid with olefins.
JOURNAL OF MOLECULAR MODELING
(2023)
Article
Chemistry, Multidisciplinary
Ruyi Fang, Henghui Xu, Biyi Xu, Xinyu Li, Yutao Li, John B. Goodenough
Summary: The study found that the cycling performance of solid-state Li-S batteries improved significantly with a PVDF coating, which suppresses the formation of polysulfides and changes the reaction mechanism of sulfur. Introducing a polymer with low solvent properties in the sulfur cathode shows promise for increasing the cycling life of Li-S batteries.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Applied
P. Brussino, E. L. Mehring, M. A. Ulla, J. P. Bortolozzi
Summary: This study prepared nickel-based catalysts with different silica contents as supports and investigated the effect of silica content on catalytic performance. The results showed that increasing the amount of silica in the supports can improve ethane conversion without sacrificing ethylene selectivity.
Article
Chemistry, Physical
Jianguo Yu, Zehui Yu, Yunling Jia, Ting Ran, Ming Song, Yanshuang Zhang, Qing Wang, Yuning Qu, Lili Wang
Summary: The performance of direct alcohol fuel cells is greatly affected by the phase and composition of the catalyst, necessitating the development of high-performance alcohol oxidation catalysts. In this study, PdCu core-shell nanoflowers were created for the first time using PVA preparation, resulting in a high electrochemically active surface area and a potent synergistic effect. The Cu@Pd22.3 catalyst exhibited 13 times higher catalytic performance than Pd/C in ethylene glycol oxidation reaction, offering an original method to improve the activity and endurance of polyol oxidation.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Materials Science, Multidisciplinary
Jia-Xin Wang, Xiao-Wen Gu, Yu-Xin Lin, Bin Li, Guodong Qian
Summary: A novel diamondoid hydrogen-bonded organic framework (ZJU-HOF-10) was developed with significantly enhanced permanent porosity through the use of supercritical carbon dioxide (sc-CO2) drying method, leading to improved ethane/ethylene separation efficiency. The nonpolar pore surfaces in ZJU-HOF-10(sc) were found to play a key role in stronger multipoint interactions with C2H6, resulting in enhanced C2H6 uptake capacity and selectivity. Actual breakthrough experiments demonstrated the capability of ZJU-HOF-10(sc) to efficiently separate ethane from C2H6/C2H4 mixtures at ambient conditions, providing high polymer-grade C2H4 productivity.
ACS MATERIALS LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Shu Wang, JianNa Li, Yihong Cao, JingWei Gu, YuanFeng Wang, ShiGuo Chen
Summary: Pathogenic bacteria can rapidly proliferate on porous fabrics, forming bacterial plaques/biofilms and increasing the potential for cross-transmission of diseases. This study developed a novel N-halamine compound that could be covalently bonded onto PET fabrics, providing outstanding and rapid bactericidal activity without compromising the fabrics’ physicochemical properties and biocompatibility. Adhesion of bacteria to the treated PET fabrics was easy, and the bacteria were quickly inactivated within 10 seconds.
ADVANCED FIBER MATERIALS
(2022)
Article
Chemistry, Physical
Weikang Dai, Maoshuai Li, Jie Wei, Qi Yang, Yi Feng, Cheng Yang, Wanxin Yang, Mei-Yan Wang, Xinbin Ma
Summary: The paper investigates the dissociation and anion mechanism for formaldehyde hydroformylation using DFT calculation and experimental study. It finds that HCHO insertion into the Rh-H bond is the rate-controlling step in the dissociation mechanism, while the nucleophilic addition of HCHO to the HOCH2-Rh species is more energetically favorable in the anion mechanism. The research also suggests that the strong electron-donating ligand could lead to higher reactivity in the anion mechanism, providing insights for improving selectivity in the reaction.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Physical
Weishan Li, Tiantian Li, Jialuo Lin, Lidan Xing, Yaotang Zhong, Huifang Chai, Wude Yang, Jianhui Li, Weizhen Fan, Jingwei Zhao
Summary: This study investigates the mechanism of nitrile additives in improving the performance of commercialized lithium-ion batteries. The results show that nitrile compounds can preferentially oxidize on LiCoO2, forming a protective interphase and suppressing electrolyte oxidation decomposition, thereby enhancing the stability of the LiCoO2 cathode.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Minhua Zhang, Hongpu Guo, Xinyue Guan, Fuchao Li, Yingzhe Yu
Summary: With the rapid development of the photovoltaic industry, the study of the synthetic monomer vinyl acetate, which is in high demand due to the growth of the industry, is crucial. This research focuses on the production mechanism of ethylene glycol diacetate, a byproduct in the ethylene vapor phase process. Molecular simulation techniques, including DFT and kMC simulations, were used to investigate the reaction mechanism on the PdAu(100) surface. The results provide insights into the production pathway and rate-determining step of ethylene glycol diacetate, offering theoretical foundations for reducing its production in industrial processes.
MOLECULAR CATALYSIS
(2023)
Article
Energy & Fuels
Rongqi Chen, Yongchuan Guo, Yongzheng Zhang, Chunyin Shen, Yanli Wang, Liang Zhan
Summary: The reaction process of ethylene tar in the air atmosphere is complex and has three stages. Studying these stages is important for guiding the production of specific pitches. In the first stage, hydrogen is transformed into alcoholic hydroxyl, which is then oxidized into C-O and COOH/C-O-C-O. Side chains are gradually converted into COOH and -CH2-. In the second stage, dehydrogenation leads to highly condensed structures, and further oxidization forms -CH2-. In the third stage, the sample weight becomes close to zero at around 550 degrees C. Theoretical guidance can help in obtaining pitches with desired properties.
Article
Chemistry, Physical
Ning Wang, Xiaofang Li, Meng-Ke Hu, Wenbo Wei, Sheng-Hua Zhou, Xin-Tao Wu, Qi-Long Zhu
Summary: The integration of cathodic hydrogen evolution reaction (HER) with thermodynamically favorable anodic oxidation reactions provides a sustainable alternative for electrochemical valorization. In this study, we developed an atomic Ni modified CoP electrocatalyst with abundant built-in mesopores from ordered macroporous ZIF-67 single crystals, showing high HER performance. Furthermore, this bifunctional electrocatalyst exhibited outstanding activity for ethylene glycol oxidation reaction (EGOR) in alkaline and complex electrolytes, enabling hydrogen and commodity chemical production in a pair-electrolysis system.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Multidisciplinary
Lazaros Papadopoulos, Alexandra Zamboulis, Nejib Kasmi, Mohamed Wahbi, Christina Nannou, Dimitra A. Lambropoulou, Margaritis Kostoglou, George Z. Papageorgiou, Dimitrios N. Bikiaris
Summary: The study investigated the polymerization of high-purity FDCA with EG using two different antimony catalysts via the traditional two-step polycondensation method. Various characterization techniques were employed to monitor each step, with LC-HRMS used for the first time to precisely identify PEF oligomers formed during the esterification step, alongside theoretical studies modeling the kinetics of PEF polymerization during both esterification and polycondensation stages.
Article
Materials Science, Ceramics
Zhiping Zhang, Nan Zhang, Hongfei Liu
Summary: Orthorhombic Sc2Mo3O12 samples were synthesized via ethylene glycol (EG)-assisted hydrothermal reaction. The effects of hydrothermal temperature, hydrothermal time, and EG additive content on the preparation and negative thermal expansion (NTE) behavior of Sc2Mo3O12 samples were characterized. The results showed that flower-like Sc2Mo3O12 with uniform particle size can be obtained by using 60 ml EG at 120 degrees C for 2 h. Hydrothermal conditions and EG additive had significant influences on the growth and morphology of Sc2Mo3O12.
CERAMICS INTERNATIONAL
(2023)
Article
Polymer Science
Xu Zhang, Chengliang Wang, Wei Zhao, Meichen Han, Jingjiang Sun, Qingfu Wang
Summary: This study proposes the use of Passerini three-component polymerization (P-3CP) to modify polyethylene glycol (PEG) for solid polymer electrolytes (SPEs). The introduction of side groups via P-3CP successfully suppresses the crystallinity of PEG and improves the ionic conductivity and lithium ion transport properties of the resulting polyesters.
EUROPEAN POLYMER JOURNAL
(2022)
Review
Chemistry, Physical
Ji Qi, Ziying An, Chuang Li, Xiao Chen, Wenzhen Li, Changhai Liang
Summary: This review summarizes recent advances in electrocatalytic ethylene glycol oxidation reaction (EGOR) in terms of catalytic performance and reaction mechanism, while comparing the advantages of electrocatalytic and thermocatalytic processes.
CURRENT OPINION IN ELECTROCHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Shuhei Akahori, Takahiro Sasamori, Hiroshi Shinokubo, Yoshihiro Miyake
Summary: The self-assembly behavior of tetraazatetrathia[8]circulenes is revealed to be driven by both enthalpy and entropy, due to the unique structure of the molecules containing sp(2)-hybridized nitrogen atoms.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Yusuke Oyamada, Kazuto Inaba, Takahiro Sasamori, Shuichi Nakamura
Summary: This study achieved high enantioselectivity in the reaction of imines by introducing a cyano group as an activating group. The density functional theory (DFT) calculation clarified the stereochemical outcome and importance of the N-cyano group in the reaction.
CHEMICAL COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Kazuhira Miwa, Shinobu Aoyagi, Takahiro Sasamori, Shogo Morisako, Hiroshi Ueno, Yutaka Matsuo, Hideki Yorimitsu
Summary: The reduction of fullerene (C-60) with sodium dispersion in the presence of an excess amount of dipropyl sulfate yields highly propylated fullerene, C-60(nC(3)H(7))(n) (max. n = 24), with C-60(nC(3)H(7))(20) being predominantly generated as indicated by mass spectrometry.
Article
Chemistry, Organic
Takuya Murai, Yongning Xing, Mayu Kurokawa, Toshifumi Kuribayashi, Masanori Nikaido, Elghareeb E. Elboray, Shohei Hamada, Yusuke Kobayashi, Takahiro Sasamori, Takeo Kawabata, Takumi Furuta
Summary: A one-pot transformation method has been developed to convert biaryl dicarboxylic acids to (NH)-phenanthridinone derivatives using Curtius rearrangement and subsequent basic hydrolysis. This method is also applicable for preparing optically active amide-functionalized [7]helicene-like molecules. In addition, aza[5]helicene derivatives with a phosphate moiety were obtained as products of the Curtius rearrangement step when chalcogen atoms were present in the substrates. X-ray diffraction analysis revealed that chalcogen-bonding and pnictogen-bonding interactions may contribute to the stabilization of these compounds.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Sudhir Lima, Atanu Banerjee, Gurunath Sahu, Sushree Aradhana Patra, Kausik Sahu, Takahiro Sasamori, Giuseppe Sciortino, Eugenio Garribba, Rupam Dinda
Summary: In this study, five new mononuclear mixed ligand oxidovanadium(IV) complexes were synthesized and characterized. These complexes contain tridentate O,N,O-donor aroylhydrazones as the main ligand and N,N-chelating 2,2'-bipyridine and 1,10-phenanthroline as the co-ligand. The interaction of these complexes with two proteins was studied, and their cytotoxicity against human cervical cancer and colon cancer cell lines was evaluated.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Sushree Aradhana Patra, Gurunath Sahu, Pratikshya Das Pattanayak, Takahiro Sasamori, Rupam Dinda
Summary: In this study, five fluorescent organotin(IV) complexes based on ONO donors were successfully synthesized and their photophysical properties were characterized. The results showed that these compounds were easily absorbed by cells and mainly internalized in mitochondria with negligible cytotoxicity at imaging concentration. Additionally, these complexes exhibited high photostability and could be used for long-term real-time tracking of cell organelles. Therefore, this low-toxic organotin-based fluorescent probe has potential applications in imaging mitochondria and tracking changes in their morphology within living cells.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Applied
Yusuke Oyamada, Shintaro Yamasaki, Mika Tsuzuki, Takumi Kitagawa, Masaru Kondo, Takahiro Sasamori, Shuichi Nakamura
Summary: The catalytic enantioselective allenylation of ketimines derived from isatins is reported. High regio- and enantioselective products were obtained using a bis(imidazoline)-palladium catalyst. The obtained products were further converted into various chiral amines. The stereoselectivity origin was revealed by DFT calculations of the transition state.
ADVANCED SYNTHESIS & CATALYSIS
(2022)
Article
Chemistry, Multidisciplinary
Narumi Itoh, Koh Sugamata, Shogo Morisako, Shinobu Aoyagi, Hideki Yorimitstu, Takahiro Sasamori
Summary: A stable dibenzo-1,6,2,5-dioxadisilocine was synthesized and used as a difunctional electrophile for double-silylation reactions. Its molecular structure was characterized by spectroscopic means and single-crystal X-ray diffraction analysis. Unexpected silylated polycyclic compound was obtained through reductive coupling of phenanthrene via formal [3+3] dimerization reaction.
Article
Chemistry, Inorganic & Nuclear
Mridhul R. K. Ramachandran, Philipp C. Brehm, Gregor Schnakenburg, Takahiro Sasamori, Rene T. Boere, Rainer Streubel
Summary: Tricyclic 1,4-dihydro-1,4-phosphasilines 3a,b were synthesized from Si(NR2)(2)-bridged imidazole-2-thione compounds 2a,b. Based on the calculated Frontier Molecular Orbitals (FMOs) of 3b, a possible P-selective P-N bond cleavage reduction could be predicted, and a redox cycle was established using solutions of P-centred anionic derivative K[4b]. The cycle started with the oxidation of K[4b] to form the P-P coupled product 5b, which could be chemically reduced by KC8 to regenerate K[4b].
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Medicinal
Takuya Murai, Shohei Hamada, Yusuke Kobayashi, Takahiro Sasamori, Takumi Furuta
Summary: The preparation, optical resolution, and structural investigations of a series of axially chiral biaryl dicarboxylic acids bearing oxygen, sulfur, and selenium atoms were conducted. The study revealed that the conformational control of these compounds can be achieved through chalcogen bonding interactions and tetrel bonding interactions. The physical and chiroptical properties of these biaryl dicarboxylic acids were also explored.
CHEMICAL & PHARMACEUTICAL BULLETIN
(2022)
Article
Chemistry, Inorganic & Nuclear
Marika Nakamura, Risa Hyakutake, Shogo Morisako, Takahiro Sasamori, Yoshiyuki Mizuhata, Norihiro Tokitoh, Kouichi Nakashima, Hiroki Fukumoto, Tomohiro Agou
Summary: This study successfully synthesized persistent radical complexes with multi-step electron transfer and long-wavelength absorption characteristics. These complexes exhibited reversible oxidation processes and showed potential as near-infrared active functional dyes.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Physical
Tomohiro Sugahara, Daisuke Hashizume, Norihiro Tokitoh, Hiroshi Matsui, Ryohei Kishi, Masayoshi Nakano, Takahiro Sasamori
Summary: This study presents the experimental visualization of the valence-electron-density distribution in benzene and its kinetically stabilized heavier-element analogues, 1,2-disilabenzene and 1,2-digermabenzene. The analysis indicates that the 1,2-disilabenzene and 1,2-digermabenzene have lower aromaticity compared to benzene due to the presence of incompletely delocalized pi electrons on their cyclic conjugation systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Organic
Takumi Inoue, Shohei Hamada, Rina Nakamura, Yusuke Kobayashi, Takahiro Sasamori, Takumi Furuta
Summary: An optically active form of an amide-functionalized thia[7]helicene-like molecule was prepared through the cyclization of the corresponding axially chiral d-amino acid. X-Ray analysis revealed its twisted helical structure with clockwise helicity and a pairwise association through hydrogen-bonding interactions.
Article
Chemistry, Multidisciplinary
Takahiro Sasamori, Tomohiro Sugahara, Norihiro Tokitoh
Summary: The corresponding amidinatosupported bromogermylene was obtained via the insertion of the C=N moiety into the Ge-C(Tbb) a-bond. The formation mechanism of the amidinato-supported bromogermylene was revealed by DFT calculations. This type of insertion reaction towards a metal-carbon bond can be interpreted in analogy to the reactivity of transition-metal complexes.
MENDELEEV COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Takahiro Sasamori, Hiromu Ueno, Shogo Morisako
Summary: A bisferrocenylsilane-bridged bisphosphine, with bis(1'-dicyclohexylphosphino-1-ferrocenyl)dimethoxysilane acting as the bridge, was synthesized and its structure was characterized. Cyclic voltammetry and differential pulse voltammetry were used to study its redox behavior, and two-step oxidation processes were observed.
Article
Chemistry, Multidisciplinary
Alexander M. Prophet, Kritanjan Polley, Gary J. Van Berkel, David T. Limmer, Kevin R. Wilson
Summary: The oxidation kinetics of iodide by ozone at the air-water interface is studied in single microdroplets. Molecular simulations and kinetic modeling are used to understand the underlying multiphase mechanism.
Article
Chemistry, Multidisciplinary
Rong Zhang, Jiajing Lan, Fei Wang, Shumei Chen, Jian Zhang
Summary: By utilizing 1,1'-ferrocene dicarboxylic acid as a chelating and surface protection ligand, we have synthesized multi-nuclear indium oxide clusters with varying nuclear sizes, including heptanuclear and thirteen-nuclear clusters. These clusters possess labile coordination sites, allowing for structural modification and self-assembly, resulting in the formation of various cluster structures.
Article
Chemistry, Multidisciplinary
Hui Wang, Hui Liu, Mingsen Wang, Jiaheng Hou, Yongjun Li, Yuancheng Wang, Yingjie Zhao
Summary: Two supramolecular complexes were prepared using CBs and M1, and their single-crystal structures were analyzed by SCXRD. The unexpected 1:2 self-assembly structure between M1 and CB[8] was discovered for the first time. These complexes exhibit unique photophysical properties and provide valuable information about the structure and photophysical properties of supramolecular complexes.
Article
Chemistry, Multidisciplinary
Chang-Hee Lee, Sookil Park, Sanggil Kim, Ji Young Hyun, Hyun Soo Lee, Injae Shin
Summary: The epidermal growth factor receptor (EGFR) is a cell-surface glycoprotein involved in cell proliferation and tumor development. This study used a fluorescently labeled EGFR to investigate its time-dependent endocytosis in live cells and found that appended glycans affect EGFR internalization. Additionally, the study detected sialic acid residues attached to EGFR on the live cell surface using FRET-based imaging. This research provides valuable insights into the cellular functions of EGFR.
Article
Chemistry, Multidisciplinary
Subhankar Sahu, Lokesh Kumar, Sumita Das, Dipti Gupta, Ruchi Anand
Summary: This study proposes a strategy that combines organic electronics with biosensor scaffolds to create a compact device for monitoring environmental aromatic pollution. By coupling biosensing protein MopR with an organic electrochemical transistor (OECT), a sensor module capable of efficient detection of phenol was designed. Exclusive phenol detection with minimal loss of sensitivity could be achieved in complex pollutant mixtures and real environmental samples.
Review
Chemistry, Multidisciplinary
Changseok Lee, Hyung-Joon Kang, Sungwoo Hong
Summary: The formation of C-N bonds through hydroamination reactions catalyzed by nickel hydrides has been a topic of recent interest. This approach offers a way to efficiently transform a variety of alkene and alkyne substrates into compounds enriched with C-N bonds. The review provides a concise overview of the underlying reaction mechanisms and aims to stimulate further progress in NiH-catalytic techniques and catalyst design.
Article
Chemistry, Multidisciplinary
Yueci Wu, Lu-Lu Sun, Hai-Hao Han, Xiao-Peng He, Weiguo Cao, Tony D. James
Summary: Drug-induced liver injury (DILI) is a common cause of acute liver failure in the USA and Europe, but most cases can be recovered or prevented by discontinuing the offending drug. Recent research has found that peroxynitrite (ONOO-) can be used as a potential indicator for early diagnosis of DILI, and there is an urgent need to establish a method to detect and track peroxynitrite in DILI cases. In this study, a FRET-based nano fluorescent probe CD-N-I was developed, which showed high selectivity and sensitivity in detecting peroxynitrite. The probe successfully detected exogenous peroxynitrite in live cells and endogenous peroxynitrite in APAP-induced liver injury of HepG2 cells.
Article
Chemistry, Multidisciplinary
Dmitry L. Lipilin, Mikhail O. Zubkov, Mikhail D. Kosobokov, Alexander D. Dilman
Summary: This article describes a direct photocatalytic method for the thiolation of unprotected acids, which was previously challenging. By using a thionocarbonate reagent with an N-O bond, the efficient conversion of carboxylic acids to thiols is achieved.
Article
Chemistry, Multidisciplinary
Jason Malenfant, Lucille Kuster, Yohann Gagne, Kouassi Signo, Maxime Denis, Sylvain Canesi, Mathieu Frenette
Summary: Raman microscopy can reveal compound-specific vibrational fingerprints without sample preparation. The combination of efficient theoretical calculations and a user-friendly software can accurately predict peak positions and provide match scores to assist with structure determination.
Article
Chemistry, Multidisciplinary
Jayoh A. Hernandez, Paul S. Micus, Sean Alec Lois Sunga, Luca Mazzei, Stefano Ciurli, Gabriele Meloni
Summary: Essential trace metals play crucial roles in the survival and virulence of bacterial pathogens. Helicobacter pylori requires nickel for colonization and persistence in the stomach, and NixA is an essential nickel transporter in this process. This study characterizes the selectivity and electrogenic nature of NixA-mediated nickel transport.
Article
Chemistry, Multidisciplinary
Tarali Devi, Kuheli Dutta, Jennifer Deutscher, Stefan Mebs, Uwe Kuhlmann, Michael Haumann, Beatrice Cula, Holger Dau, Peter Hildebrandt, Kallol Ray
Summary: This study emphasizes the importance of subtle electronic changes and secondary interactions in the stability of biologically relevant metal-dioxygen intermediates. It also shows that the role of the chloride ligand in stabilizing the Fe-III-(OOBu)-Bu-t moiety can extend to other anions, including the thiolate ligand.
Article
Chemistry, Multidisciplinary
Jacqueline R. Santhouse, Jeremy M. G. Leung, Lillian T. Chong, W. Seth Horne
Summary: By studying the folding kinetics and mechanism of the BdpA sequence, researchers found that altering the backbone connectivity can affect protein folding. This suggests that protein mimetic chains have a significant degree of plasticity in transitioning between unfolded and folded states.
Article
Chemistry, Multidisciplinary
Divanshu Gupta, Ralf Einholz, Holger F. Bettinger
Summary: This study presents the first direct spectroscopic evidence of a cyclic seven-membered iminoborane. Compared to linear amino-iminoboranes, this cyclic iminoborane exhibits weakened bond strength and lower Lewis acidity value. The study suggests that the reduced ring strain of cyclic iminoborane prevents nitrogen fixation but allows facile (2 + 2) cycloaddition reaction with C2H4.
Article
Chemistry, Multidisciplinary
Renny Mathew, Aniruddha Mazumder, Praveen Kumar, Julie Matula, Sharmarke Mohamed, Petr Brazda, Mahesh Hariharan, Brijith Thomas
Summary: This study reveals the packing arrangement of partially disordered nitro-perylenediimide (NO2-PDI) using a synergistic approach that combines 3D ED, ssNMR, and DFT techniques. By overcoming these challenges, this methodology opens up new avenues for material characterization, driving exciting advancements in the field.
