Article
Chemistry, Medicinal
Cheng Wang, Xinye Chen, Xingchen Liu, Dehua Lu, Shang Li, Lailiang Qu, Fucheng Yin, Heng Luo, Yonglei Zhang, Zhongwen Luo, Ningjie Cui, Lingyi Kong, Xiaobing Wang
Summary: EZH2 is often overexpressed in TNBC and other tumors, affecting tumor development and prognosis. The designed PROTACs molecule U3i precision targets EZH2 and shows good inhibitory effects on TNBC cells, inducing apoptosis without causing much damage to normal cells. U3i is a potential anticancer molecule for TNBC treatment.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Xu Yang, Li Deng, Xianhong Diao, Siyuan Yang, Li Zou, Qin Yang, Jian Li, Jianyun Nie, Lina Zhao, Baowei Jiao
Summary: The compound zinc pyrithione (ZnPT) has been identified as a potent inhibitor of triple-negative breast cancer (TNBC) progression by disrupting copper homeostasis, offering a potential experimental foundation for exploring cuproptosis as a target for drug discovery in TNBC patients.
Article
Chemistry, Medicinal
Saikat Chakraborty, Kartik Dutta, Pooja Gupta, Anubrata Das, Amit Das, Sunil Kumar Ghosh, Birija Sankar Patro
Summary: The study showed that compound 4a can selectively kill RECQL5-overexpressing breast cancer cells, while not affecting other DNA RECQL-helicases. Through various experimental approaches, it was found that 4a effectively inhibits RECQL5 helicase activity, leading to impaired HRR and preferential killing of RECQL5-expressing breast cancer cells.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Jia He, Luzhen Wang, DaZhao Mi, Tian Guan, Wenjing Liu, Peng He, Haijun Gu, Yuzhan Li, Yangrui Peng, Ai-Qun Jia, Ceshi Chen, Yihua Chen
Summary: JH530 is a drug that can induce cell death in triple-negative breast cancer cells and has shown significant suppression of tumor growth in vitro and in vivo.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Dan Wei, Hanlin Wang, Qinghe Zeng, Wenjing Wang, Bingbing Hao, Xule Feng, Peipei Wang, Ning Song, Weijuan Kan, Guifang Huang, Xiaoyu Zhou, Minjia Tan, Yubo Zhou, Ruimin Huang, Jia Li, Xiao-Hua Chen
Summary: TNBC is highly aggressive and clinically challenging due to limited treatment options. Targeting transcription-associated CDK9 with a novel degrader compound shows great promise in inhibiting TNBC cell growth and inducing apoptosis by downregulating transcriptional targets like MYC. This study establishes compound 45 as a potent and efficacious CDK9 degrader for potential targeted therapy in TNBC.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Oncology
Jose P. Leone, Noah Graham, Julieta Leone, Sara M. Tolaney, Bernardo A. Leone, Rachel A. Freedman, Michael J. Hassett, Carlos T. Vallejo, Eric P. Winer, Nancy U. Lin, Nabihah Tayob
Summary: This study developed a tool called "ESTIMATE-TN" to assess the risk of breast cancer-specific mortality (BCSM), non-BCSM, and all-cause mortality in non-metastatic triple-negative breast cancer (TNBC) patients. The tool allows input of patient and tumor characteristics and provides a nonparametric estimate of cumulative risks using Gray's subdistribution method.
EUROPEAN JOURNAL OF CANCER
(2023)
Article
Biochemistry & Molecular Biology
Khor Poh Yen, Johnson Stanslas, Tianshu Zhang, Hongyuan Li, Xiaohui Wang, Chan Kok Meng, Lam Kok Wai
Summary: A new inhibitor was found to reduce paclitaxel chemoresistance in breast cancer cells, with two specific compounds binding to MD2 and effectively improving the activity of PTX.
BIOORGANIC & MEDICINAL CHEMISTRY
(2021)
Article
Cell Biology
Vinicius Toledo Ribas, Bjorn Friedhelm Vahsen, Lars Tatenhorst, Veronica Estrada, Vivian Dambeck, Raquel Alves Almeida, Mathias Baehr, Uwe Michel, Jan Christoph Koch, Hans Werner Mueller, Paul Lingor
Summary: Inhibition of ULK1 promotes axonal regeneration and neurite outgrowth, increases neuronal survival, and enhances axonal protection after optic nerve and spinal cord injuries. Additionally, it leads to increased sprouting of serotonergic and dopaminergic axons after spinal cord injury by activating ERK1 and reducing RhoA and ROCK2 expression. ULK1 is identified as a key regulator for axonal degeneration and regeneration, and a promising target for neuroprotection and regeneration in the CNS.
CELL DEATH & DISEASE
(2021)
Article
Chemistry, Medicinal
Minru Liao, Jin Zhang, Guan Wang, Leiming Wang, Jie Liu, Liang Ouyang, Bo Liu
Summary: TNBC, the most aggressive subtype of breast cancer, lacks effective targeted therapy. Novel small-molecule drugs targeting specific molecular characteristics of TNBC may be a promising intervention, but face challenges. Emerging strategies such as dual-target drugs, drug repurposing, and combination strategies offer new insights for improving TNBC therapeutics.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Review
Cell Biology
Manjari Kundu, Yoshimi Endo Greer, Jennifer L. Dine, Stanley Lipkowitz
Summary: This review discusses the signaling components and mechanisms of the TRAIL pathway, as well as the challenges and potential solutions for TRAIL/DR targeted therapy in TNBC clinical trials. The article also explores the pharmacokinetic and pharmacodynamic properties of DR agonists, patient selection through predictive biomarkers, and potential combination therapies. Additionally, recent findings on the impact of TRAIL treatment on the immune response and novel strategies to address these challenges are discussed.
Article
Chemistry, Medicinal
Tingting Chen, Jiafu Leng, Jun Tan, Yongjun Zhao, Shanshan Xie, Shifang Zhao, Xiangyu Yan, Liqiao Zhu, Jun Luo, Lingyi Kong, Yong Yin
Summary: We designed and synthesized a series of novel covalent GPX4 inhibitors based on RSL3 and ML162 through structural integration and simplification strategies. Compound C18 exhibited remarkable inhibitory activity against TNBC cells and significantly inhibited the activity of GPX4. Moreover, C18 could induce ferroptosis with high selectivity by increasing the accumulation of lipid peroxides in cells. It was also found that C18 covalently bound to the Sec46 of GPX4. In the MDA-MB-231 xenograft model, C18 showed outstanding tumor growth inhibition with a TGI value of 81.0% @ 20 mg/kg without obvious toxicity. Overall, C18 could be a promising GPX4 covalent inhibitor for the treatment of TNBC.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Youlong Fan, Hongfei Si, Zhang Zhang, Liang Zhong, Hongyan Sun, Chengjun Zhu, Zhibin Yin, Huilin Li, Guanghui Tang, Shao Q. Yao, Pinghua Sun, Zhi-Min Zhang, Ke Ding, Zhengqiu Li
Summary: The inverse drug discovery strategy utilizing cyclopropenone as a potent electrophile has led to the specific and efficient modification of the triple-negative breast cancer driver GSTP1 in live cells, resulting in the discovery of potential inhibitors through further optimization and pathway validation.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Immunology
Kaixun He, Hanyu Lin, Sihui Zhang, Yanjing Ou, Jie Lu, Wenqian Chen, Yuwei Zhou, Yang Li, Yanjun Lin, Jingjing Su, Yifeng Xing, Huachen Chen, Jiang Chen
Summary: BNTA has a therapeutic effect on temporomandibular mandibular joint osteoarthritis (TMJOA) by attenuating cartilage degradation, inflammation responses, and oxidative stress through activating NRF2 signaling. Additionally, BNTA may act as a stabilizer by directly binding to ALDH3A1. The positive correlation between ALDH3A1 and NRF2 signaling suggests their involvement in the underlying molecular mechanism.
INTERNATIONAL IMMUNOPHARMACOLOGY
(2023)
Article
Chemistry, Medicinal
Rongyan Zhao, Leilei Fu, Zhaoxin Yuan, Yi Liu, Kai Zhang, Yanmei Chen, Leiming Wang, Dejuan Sun, Lixia Chen, Bo Liu, Lan Zhang
Summary: A new small-molecule inhibitor, 3r, of Fam20C was obtained through combining in silico high-throughput screening with chemical synthesis methods, which exhibited desired antiproliferative activities against MDA-MB-231 cells and also inhibited migration. This inhibitor was found to induce apoptosis via the mitochondrial pathway in MDA-MB-231 cells as well as to inhibit cell migration, showing good therapeutic potential on TNBC.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Pharmacology & Pharmacy
Leilei Gou, Grace Gar-Lee Yue, Julia Kin -Ming Lee, Pema Tenzin Puno, Clara Bik-San Lau
Summary: Eriocalyxin B (Eri B), an ent-kaurane diterpenoid, inhibits migration and adhesion in triple negative breast cancer (TNBC) cells, reduces ALDH1A1 expression and colony formation in cancer stem cell (CSC) enriched MDA-MB-231 cells. Eri B demonstrates potent anti-metastatic efficacy in breast tumor-bearing mouse models. Gut microbiome analysis reveals changes in diversity and composition of microbiome after Eri B treatment, potentially contributing to its anti-cancer effects.
BIOCHEMICAL PHARMACOLOGY
(2023)
Article
Dentistry, Oral Surgery & Medicine
Lingxiao Wang, Chao Liang, Xiao Lin, Changying Liu, Jun Li
Summary: This study elucidated the role of miR-491-5p in osteogenic differentiation, particularly in patients with type 2 diabetes. The downregulation of miR-491-5p was found to be a major factor contributing to decreased osteogenic differentiation. Regulation of miR-491-5p expression has the potential to improve osteogenic differentiation in patients with type 2 diabetes.
Article
Materials Science, Multidisciplinary
Yaqing Wei, Jun He, Jie Zhang, Mingyang Ou, Yanpeng Guo, Jiajun Chen, Cheng Zeng, Jia Xu, Jiantao Han, Tianyou Zhai, Huiqiao Li
Summary: This study proposes a seamless integration strategy by merging the voltage and capacity of phosphorus and antimony into a solid solution alloy. Experimental results show that this alloy exhibits superior cycle stability, rate performance, and even delivers high capacity at low temperature.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Review
Plant Sciences
Wei Li, Jinyu He, Xiuzhuo Wang, Matthew Ashline, Zirui Wu, Fengquan Liu, Zheng Qing Fu, Ming Chang
Summary: PBS3 is an acyl acid amido synthetase that plays a critical role in the biosynthesis of salicylic acid in Arabidopsis. It acts as a positive regulator of plant immunity and is involved in stress responses and plant development.
Article
Chemistry, Multidisciplinary
Hao Yan, Qian Wang, Jingyun Wang, Wenting Shang, Zhiyuan Xiong, Lingyun Zhao, Xiaodan Sun, Jie Tian, Feiyu Kang, Seok-Hyun Yun
Summary: By using a bottom-up molecular approach, graphene quantum dots (GQDs) can be planted in the poly(ethylene glycol) (PEG) layer of PEGylated nanoparticles to form NPs-GQDs-PEG nanocomposite, allowing for sustainable and multimodality tumor bioimaging in vivo. The planted GQDs show prolonged blood circulation and increased tumor accumulation compared to typical GQDs, and also enable long-term real-time visualization of the local pharmacokinetics of nanoparticles in vivo.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Kaihang Sun, Chenyang Shen, Rui Zou, Chang -jun Liu
Summary: This study demonstrates high activity and enhanced CO tolerance for CO2 hydrogenation to methanol on Pt/In2O3-ZrO2 catalyst. The addition of ZrO2 enables stronger electron transfer between Pt and In2O3-ZrO2, leading to weaker CO adsorption and improved CO tolerance of Pt catalyst. The ZrO2-modified oxygen vacancy promotes CO2 activation.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Biodiversity Conservation
Peng Chen, Biao Wang, Yanlan Wu, Qijun Wang, Zuoji Huang, Chunlin Wang
Summary: This study proposed a multi-source remote sensing water quality inversion method based on a small number of samples, which solved the problem of scale inconsistency among multi-source remote sensing data and achieved large-scale and efficient inversion of urban river water quality.
ECOLOGICAL INDICATORS
(2023)
Article
Engineering, Electrical & Electronic
Xu Gao, Ke Yang, Yi-xuan Zhu, Jun-qi Liu, Shen-qiang Zhai, Shu-man Liu, Ning Zhuo, Jin-chuan Zhang, Li-jun Wang, Feng-qi Liu, Xiao-hua Wang, Zhi-peng Wei
Summary: The authors demonstrate a high-speed 8.5-μm quantum cascade laser (QCL) that operates continuously at room temperature. A maximum output power of 141 mW is achieved at 20 degrees C. By monolithically integrating a pi-shaped metal contact electrode, the parasitic capacitance of the device is reduced from 36.6 to 7.1 pF, resulting in an increased -3 dB RF modulation bandwidth from 870 MHz to 4.5 GHz compared to the conventional electrode configuration.
ELECTRONICS LETTERS
(2023)
Article
Agriculture, Multidisciplinary
Guoqing Wu, Jingxuan Xu, Qiyao Wang, Ziyang Fang, Yucheng Fang, Yujie Jiang, Xiaohong Zhang, Xiangrong Cheng, Jin Sun, Guowei Le
Summary: Dietary methionine restriction (MR) has various health-promoting effects, including the prevention of chronic diseases and cancer, as well as extension of lifespan. Recent studies have provided new insights into the mechanisms and phenotypes of MR, particularly in areas such as angiogenesis, neurodegenerative diseases, intestinal microbiota, and intestinal barrier function. This review comprehensively summarizes the novel roles and interpretations of the mechanisms underlying MR in the prevention of chronic diseases and aging.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Chemistry, Physical
Guanghui Yang, Jiyeon Kang, Amanda Carsbring, Wangzhong Mu, Peter Hedstrom, Jin-Kyung Kim, Joo Hyun Park
Summary: The precipitation of Cr-rich BCC particles was found to be dependent on the chemical composition of Fe-Cr-Ni medium entropy alloys. These particles played a significant role in the hardening of the alloys. The different precipitation behaviors at two temperatures resulted in variations in grain size distribution and hardness.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Microbiology
Yibei Zhang, Yuping Huang, Haoyuan Ding, Jiabao Ma, Xinyu Tong, Yuanxing Zhang, Zhen Tao, Qiyao Wang
Summary: This study revealed the important role of RpoE in controlling the infection process of P. plecoglossicida. Through temperature sensing, RpoE regulates gene expression related to bacterial signal transduction, membrane homeostasis, energy metabolism, and virulence.
MICROBIOLOGICAL RESEARCH
(2023)
Article
Mycology
Qiqi Wang, Wei Chen, Zhe Wan, Wei Liu
Summary: An outbreak of tinea capitis caused by Trichophyton tonsurans was reported among five juvenile athletes in a wrestling team in Beijing, China. The fungal pathogens were identified as T. tonsurans by morphology and sequencing. Multilocus genotyping analysis revealed a single genotype among the five isolates. Antifungal susceptibility testing showed that these isolates were susceptible to common antifungal drugs for treating tinea capitis.
Article
Virology
Zhenhe Xu, Zihan Ding, Yuanxing Zhang, Xiaohong Liu, Qiyao Wang, Shuai Shao, Qin Liu
Summary: Phage therapy is a potential alternative to antibiotics for bacterial infections. This study found that storing phages at 4 degrees C was optimal and that 10% dimethyl sulfoxide (DMSO) was more effective in protecting the phages at lower temperatures than glycerin. Additionally, the use of hydroxyapatite and a combination of trehalose with tryptic soy broth or skim milk powder alleviated phage inactivation during storage. Furthermore, a model for predicting phage shelf-life was established with high accuracy using the Accelerated Stability Assessment Program (ASAP) based on the Arrhenius equation.
Article
Environmental Studies
Meng-tao Chen, Da-peng Yang, Wei-qi Zhang, Qi-jun Wang
Summary: This research investigates the impact of ESG performance on stock liquidity in Chinese stock market. The study finds that strong ESG disclosure enhances stock liquidity and functions as a positive signal to build firm reputation. However, the effect of ESG disclosure on stock liquidity is not significant for most service sector firms, while non-SOEs and firms in Midwest benefit more.
ENVIRONMENTAL IMPACT ASSESSMENT REVIEW
(2023)
Article
Linguistics
Olga Tararova, Martha Black, Qiyao Wang, Katrina Blong
Summary: This study investigates the acquisition of Spanish gender agreement by Russian or Mandarin speakers of English, and compares the results with English speakers of Spanish. The results suggest that beginner learners are influenced by the grammatical gender system of their L1s when identifying gender in Spanish.
Article
Chemistry, Medicinal
Yi Liu, Yuling Zou, Yunli Huang, Siwei Chen, Lan Zhang
Summary: Colorectal cancer (CRC) is a common malignancy with poor prognosis and high incidence and mortality. PAK1 overexpression is associated with poor prognosis in colorectal cancer, and PAK1-targeted inhibition using a compound called Balanol is a potential therapeutic strategy. In vitro studies showed that Balanol effectively inhibits PAK1 and has anti-proliferative and anti-migration activity in SW480 cells. Balanol also induces apoptosis and cytoprotective autophagy in SW480 cells. These findings suggest that Balanol is a potential novel PAK1 inhibitor for future CRC treatment.
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.