Article
Biochemistry & Molecular Biology
Maha Montaser, Asmaa T. Ali, Ahmed M. Sayed, Usama Ramadan Abdelmohsen, Ehab W. Zidan, Raha Orfali, Mostafa E. Rateb, Mohamed A. Zaki, Hossam M. Hassan, Rabab Mohammed, Mohamed S. Hifnawy
Summary: This study investigated the metabolite composition and antioxidant activity of citrus honey, marjoram honey, and clover honey using H-1-NMR technique. The results showed that citrus honey and marjoram honey exhibited higher antioxidant activity compared to clover honey.
Article
Obstetrics & Gynecology
Mathilde Bourdon, Pietro Santulli, Fatiha Kateb, Khaled Pocate-Cheriet, Frederic Batteux, Chloe Maignien, Sandrine Chouzenoux, Corinne Bordonne, Louis Marcellin, Gildas Bertho, Charles Chapron
Summary: The study found differences in serum metabolic profiles between patients with adenomyosis and the control group, with specific metabolic profiles observed in different adenomyosis phenotypes. These metabolic changes are associated with processes such as immune activation, cell proliferation, and cell migration.
FERTILITY AND STERILITY
(2021)
Article
Food Science & Technology
Chengkeng Tan, Jinap Selamat, Nuzul Noorahya Jambari, Rashidah Sukor, Suganya Murugesu, Azira Muhamad, Alfi Khatib
Summary: This study characterized the metabolic composition of four commercially available chicken breeds using H-1 NMR coupling and multivariate analysis. The results showed that local village chicken could be distinguished from other breeds based on the metabolites present in their serum and pectoralis major muscle. However, the colored broiler (Hubbard) could not be distinguished from broiler (Cobb) and spent layers (Dekalb) in both serum and pectoralis major.
FOOD SCIENCE & NUTRITION
(2023)
Article
Biochemistry & Molecular Biology
Rachelle Bester, Zinandre Stander, Shayne Mason, Karen M. Keane, Glyn Howatson, Tom Clifford, Emma J. Stevenson, Du Toit Loots
Summary: This study aimed at elucidating the metabolic changes induced by a marathon using untargeted proton nuclear magnetic resonance (H-1-NMR) spectrometry metabolomics approach. Results showed significant physiological and metabolic changes after the marathon, including decreased amino acid concentrations and increased concentrations of ketone bodies, glycolysis, tricarboxylic acid cycle, and amino acid catabolism intermediates. Moreover, the elevated levels of creatinine and creatine in the post-marathon group supported previous findings of marathon-induced muscle damage.
Article
Biochemistry & Molecular Biology
Domitilla Vanni, Nicola Viceconte, Greta Petrella, Flavio Giuseppe Biccire, Francesco Pelliccia, Gaetano Tanzilli, Daniel Oscar Cicero
Summary: Takotsubo syndrome (TTS) is characterized by acute coronary syndrome with severe left ventricular dysfunction and non-obstructive coronary artery disease, mainly caused by beta-adrenergic overstimulation and acute endogenous catecholamine surge. Studies have shown evidence of inflammation and oxidative stress overload in myocardial tissue of TTS models, but systemic biochemical evidence of augmented oxidant activity in patients with TTS is lacking. The systemic metabolic profile of TTS patients showed significant elevation of ketone bodies, 2-hydroxybutyrate, acetyl-L-carnitine, and glutamate levels, reflecting a systemic response to oxidative stress caused by the stressor that triggered the syndrome's onset.
Article
Marine & Freshwater Biology
Erik R. Andersson, Rusty D. Day, Thierry M. Work, Paul E. Anderson, Cheryl M. Woodley, Tracey B. Schock
Summary: The study examined the metabolic impacts of Coral growth anomalies (GAs) through H-1 nuclear magnetic resonance (NMR) metabolomics, identifying 18 metabolites and indicating elevated metabolic activity in GA-impacted colonies. There was high variation in metabolomic profiles among coral samples, but features that differed between GA and unaffected samples were identified. Pathway analyses suggested decreased choline oxidation in GA samples, highlighting a pathway of interest for future targeted studies.
Article
Agriculture, Multidisciplinary
Xingxing Li, Saurav J. Sarma, Lloyd W. Sumner, A. Daniel Jones, Robert L. Last
Summary: This study investigated the differences in metabolomes of upland and lowland switchgrass, and revealed significant variations between these two ecotypes as well as at different developmental stages. Terpenoid- and polyphenol-derived specialized metabolites, including steroidal saponins, di- and sesqui-terpenoids, and flavonoids, were identified. The concentrations of saponins were found to be higher in the roots of lowland switchgrass compared to upland switchgrass. These findings provide valuable insights into the potential biological functions and biosynthesis pathways of specialized metabolites in switchgrass, and could contribute to the development of low-input bioenergy crops.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Psychiatry
Caigui Lin, Qing Hu, Jiyang Dong, Zhiliang Wei, Jie Li, Zhong Chen
Summary: This study revealed the specific metabolic alterations in patients with both schizophrenia and hepatitis B virus infection, highlighting the synergistic action between the two pathologies. These findings provide important perspectives for designing precise therapies for schizophrenia patients with hepatitis B virus infection.
FRONTIERS IN PSYCHIATRY
(2022)
Article
Horticulture
Ignacio Migues, Natalia Hodos, Ana Ines Moltini, Adriana Gambaro, Fernando Rivas, Guillermo Moyna, Horacio Heinzen
Summary: The aqueous pulp extracts of 8 mandarin cultivars from Uruguay were characterized through untargeted H-1 NMR-based metabolomics, revealing the uniqueness of each mandarin metabolome. The study evaluated the stability of chemical makeup across different harvests, metabolome evolution towards fruit maturity, and character transference from parents to hybrids, with significant correlations found between sugar sweetness power and citric acid content in each variety. This chemometric model offers potential for reducing sensory panel sampling in the selection of new mandarin cultivars.
SCIENTIA HORTICULTURAE
(2021)
Article
Cardiac & Cardiovascular Systems
Yannan Zhang, Huanzhen Zhang, Shengzhong Rong, Cailing Bian, Yuexin Yang, Hongzhi Pan
Summary: This study used a metabolomics approach to explore the molecular mechanism of uric acid in the development of MetS. Results showed significant alterations in 20 metabolites in both MetS and MetS & HUA patients, with MetS patients exhibiting a more severe metabolic disorder. Pathway analysis revealed perturbed metabolic pathways in both groups, contributing to a better understanding of MetS progression.
NUTRITION METABOLISM AND CARDIOVASCULAR DISEASES
(2021)
Article
Physiology
Rachelle Bester, Zinandre Stander, Shayne Mason, Karen M. Keane, Glyn Howatson, Tom Clifford, Emma J. Stevenson, Du Toit Loots
Summary: Extreme endurance events can have negative effects on athletes' health and performance, especially without sufficient recovery. This study aimed to understand the metabolic changes during post-marathon recovery and identify biomarkers related to stress, recovery, and adaptation. Using metabolomics, researchers found that several metabolites were significantly affected during recovery, including those related to energy production, gut microbiota, and muscle soreness. Although some metabolic pathways recovered within 48 hours, certain metabolites remained perturbed or fluctuated again after initial recovery.
FRONTIERS IN PHYSIOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Ines Le Mao, Jean Martin-Pernier, Charlyne Bautista, Soizic Lacampagne, Tristan Richard, Gregory Da Costa
Summary: In this study, H-1-NMR metabolomics combined with multivariate analysis was used to investigate the effects of grape maturity, enzyme, and fining treatments on Cabernet Sauvignon wines. The results demonstrated significant impacts of maturity stage, enzymes, and fining agents on a variety of wine metabolites.
Review
Biochemistry & Molecular Biology
Roy Chih Chung Wang, David A. Campbell, James R. Green, Miroslava Cuperlovic-Culf
Summary: High-throughput metabolomics is applicable in monitoring and optimizing cell growth across various fields. NMR metabolomics, a fast and reliable experimental method, is suitable for bioreactor monitoring.
Article
Biochemistry & Molecular Biology
Sujin Lee, Ja Yoon Ku, Byeong Jin Kang, Kyung Hwan Kim, Hong Koo Ha, Suhkmann Kim
Summary: This study investigated the urinary metabolic differences in male patients with prostate cancer, bladder cancer, and renal cell carcinoma to find distinct metabolites and potential biomarkers among the three cancers. The results showed significant differences in metabolite levels, particularly 4-hydroxybenzoate, N-methylhydantoin, creatinine, glutamine, and acetate. Receiver operating characteristic analysis demonstrated good discriminatory accuracy between the different types of cancers. This preliminary study highlights the potential of metabolomics in the exploration of human urine for cancer detection.
Article
Biochemical Research Methods
Wuping Liu, Pengfei Guo, Tao Dai, Xiulin Shi, Guiping Shen, Jianghua Feng
Summary: This study investigated the plasma metabolic differences and connections of diabetes mellitus (DM), coronary heart disease (CHD), and the combination of DM with CHD (CHDDM) using a comparative metabolomics approach. The research identified 17 metabolites related to these diseases and specific biomarker types associated with glycosylated hemoglobin (HbA1C). Dysregulated glycolysis/gluconeogenesis and amino acid biosynthesis pathways were observed in all diseases, while enrichment in tryptophan metabolism was seen in CHDDM and inositol phosphate metabolism in DM. The study also highlighted the dysregulation of metabolites related to microbiota metabolism in both DM and CHDDM patients.
JOURNAL OF PROTEOME RESEARCH
(2021)
Article
Agriculture, Multidisciplinary
Jiawei Li, Weihong Ma, Qifeng Li, Chunjiang Zhao, Dan Tulpan, Simon Yang, Luyu Ding, Ronghua Gao, Ligen Yu, Zhiquan Wang
Summary: In this study, a real-time point cloud collection system for cattle body measurements was developed. The system allows stress-free measurement and provides technical support for automatic feature extraction.
COMPUTERS AND ELECTRONICS IN AGRICULTURE
(2022)
Article
Biochemistry & Molecular Biology
Mohsen Yoosefzadeh-Najafabadi, Milad Eskandari, Sepideh Torabi, Davoud Torkamaneh, Dan Tulpan, Istvan Rajcan
Summary: A genome-wide association study (GWAS) is a recommended method for discovering marker-trait associations (MTAs) in plant species. This study evaluated the potential use of two machine learning algorithms (SVR and RF) in GWAS and compared them with two conventional methods (MLM and FarmCPU) for identifying MTAs for soybean-yield components. The results demonstrated the potential benefit of using SVR in GWAS for identifying MTAs with potential causal effects on target traits.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Multidisciplinary Sciences
Renee Garant, Bret W. Tobalske, Neila BenSassi, Nienke van Staaveren, Dan Tulpan, Tina Widowski, Donald R. Powers, Alexandra Harlander-Matauschek
Summary: Ground-dwelling species of birds, such as domestic chickens, have difficulty sustaining flight due to high wing loading. Loss of flight feathers, a common occurrence among egg-laying chickens, further limits their flight ability. However, in aviary style systems, chickens still need to use flight to access essential resources stacked in vertical tiers. Clipping flight feathers significantly reduces the time hens spend at elevated resources, indicating the importance of resource distribution and accessibility in commercial housing.
ROYAL SOCIETY OPEN SCIENCE
(2022)
Article
Agriculture, Dairy & Animal Science
Jihao You, Dan Tulpan, Mark C. Malpass, Jennifer L. Ellis
Summary: This study used machine learning regression models to predict pellet quality using commercial feed mill data. The results showed that feed mill features can be successfully used to build models for pellet quality prediction.
ANIMAL FEED SCIENCE AND TECHNOLOGY
(2022)
Article
Biochemical Research Methods
Emily Hashimoto-Roth, Anuradha Surendra, Mathieu Lavallee-Adam, Steffany A. L. Bennett, Miroslava Cuperlovic-Culf
Summary: This study developed an online application called META-BOA to handle class imbalance and provide assistance in data visualization and sample classification. The tool offers four different methods for class balancing and can generate a new balanced dataset to observe the augmentation effects.
Article
Agriculture, Dairy & Animal Science
Saeed Shadpour, Tatiane C. S. Chud, Dagnachew Hailemariam, Graham Plastow, Hinayah R. Oliveira, Paul Stothard, Jan Lassen, Filippo Miglior, Christine F. Baes, Dan Tulpan, Flavio S. Schenkel
Summary: This study investigated the effectiveness of milk mid-infrared spectroscopy (MIRS) data in predicting CH4 emissions in lactating cows. The results showed that using only milk yield (MY) for prediction had low accuracy, while adding other factors such as fat yield (FY) and protein yield (PY) improved the accuracy. However, using only MIRS data yielded the highest accuracy compared to other combinations.
JOURNAL OF DAIRY SCIENCE
(2022)
Article
Agriculture, Dairy & Animal Science
L. M. Alcantara, F. S. Schenkel, C. Lynch, G. A. Oliveira, C. F. Baes, D. Tulpan
Summary: This study investigated the use of machine learning algorithms to classify different breeding protocols in dairy cattle. The results showed that a stacking classifier algorithm had the highest accuracy and recall in identifying TAI protocols, opening the opportunity for unbiased genetic evaluation based on natural fertility.
JOURNAL OF DAIRY SCIENCE
(2022)
Article
Agriculture, Dairy & Animal Science
Saeed Shadpour, Tatiane C. S. Chud, Dagnachew Hailemariam, Hinayah R. Oliveira, Graham Plastow, Paul Stothard, Jan Lassen, Ransom Baldwin, Filippo Miglior, Christine F. Baes, Dan Tulpan, Flavio S. Schenkel
Summary: This study aimed to improve DMI predictions of Canadian Holstein cows using milk MIRS data with the help of artificial neural networks (ANN). Different ANN architectures were explored to predict unobserved DMI, and the robustness of developed prediction models was validated by analyzing data from dairy cows in Canada, Denmark, and the United States.
JOURNAL OF DAIRY SCIENCE
(2022)
Article
Agriculture, Dairy & Animal Science
Paige L. Rockett, I. L. Campos, C. F. Baes, D. Tulpan, F. Miglior, F. S. Schenkel
Summary: This study aimed to determine whether NASA POWER data are a viable alternative resource for studying heat stress in Canadian Holsteins and to quantify the influence of heat stress on Canadian dairy cattle. The results showed a high correlation between NASA POWER data and weather station data for ambient temperature, dewpoint temperature, and temperature-humidity index (THI), but a poor correlation for wind speed and relative humidity. All production traits were negatively affected by heat stress, and the patterns of response to increasing THI differed for milk, fat, and protein yields.
JOURNAL OF DAIRY SCIENCE
(2023)
Article
Agriculture, Dairy & Animal Science
Diogenes Lodi Pinto, Alana Selli, Dan Tulpan, Lucas Tassoni Andrietta, Pollyana Leite Matioli Garbossa, Gordon Vander Voort, Jasper Munro, Mike McMorris, Anderson Antonio Carvalho Alves, Roberto Carvalheiro, Mirele Daiana Poleti, Julio Cesar de Carvalho Balieiro, Ricardo Vieira Ventura
Summary: The study aimed to create a pipeline for classifying marbling scores using computer vision and machine learning methods. The database consisted of images and measurements from beef cattle, and the samples were labeled as low, medium, or high marbling score. Two machine learning algorithms were compared, and different feature extraction methods were used. The results showed high accuracies for extreme marbling scores but a decrease in accuracy when intermediate groups of marbling were included.
Article
Agricultural Engineering
Jiawei Li, Weihong Ma, Qiang Bai, Dan Tulpan, Minglun Gong, Yi Sun, Xianglong Xue, Chunjiang Zhao, Qifeng Li
Summary: This study proposes an automatic method for measuring the body size parameters of beef cattle, which reduces the influence of postures on measurement results through key region segmentation, body size calculation, and data calibration. Experimental results show that the adjustment model significantly minimizes measurement errors and improves the accuracy of body size measurement.
BIOSYSTEMS ENGINEERING
(2023)
Review
Biotechnology & Applied Microbiology
Cristovao Freitas Iglesias Jr, Milica Ristovski, Miodrag Bolic, Miroslava Cuperlovic-Culf
Summary: Recombinant adeno-associated virus (rAAV) is the most effective viral vector technology for translating genomic revolution into medicinal therapies. However, the manufacturing of rAAV viral vectors remains challenging with low yield and high cost, limiting its applications. Real-time monitoring and predictive modeling through soft sensing can address these challenges in optimizing rAAV production. This review article discusses four challenges and potential solutions for developing soft sensors for rAAV production monitoring.
BIOENGINEERING-BASEL
(2023)
Article
Agriculture, Dairy & Animal Science
Paige L. Rockett, I. L. Campos, C. F. Baes, D. Tulpan, F. Miglior, F. S. Schenkel
Summary: This study aimed to evaluate the possibility of genetic evaluation for heat tolerance in Canadian dairy cattle. By using a repeatability test-day model with a heat stress function, the milk production capacity of first parity cows in different regions of Canada was evaluated under high environmental heat loads, and an antagonistic relationship was observed between sensitivity to heat stress and level of production.
JOURNAL OF DAIRY SCIENCE
(2023)
Article
Biochemical Research Methods
Francesco Monti, David Stewart, Anuradha Surendra, Irina Alecu, Thao Nguyen-Tran, Steffany A. L. Bennett, Miroslava Cuperlovic-Culf
Summary: SiDCo is a GUI platform that calculates distance correlation in omics data, measuring linear and non-linear dependencies between variables, as well as correlation between vectors of different lengths. It also implements partial distance correlation and provides an easy-to-use software implementation for analyzing any dataset.
Article
Agriculture, Dairy & Animal Science
Jasmine Fraser, Harry Aricibasi, Dan Tulpan, Renee Bergeron
Summary: Automatic detection of pigs' aggressive behavior is achieved using deep learning (DL) models. Using frame differences as input for a DL model increases its computational efficiency. Aggressive behavior in pigs is a major concern for the swine industry that negatively affects animal welfare. This study aims to provide an efficient automatic solution based on computer vision and supervised deep learning models able to distinguish between aggressive and non-aggressive behavior of pigs using video recordings.
JOURNAL OF ANIMAL SCIENCE
(2023)
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.
