Review
Chemistry, Multidisciplinary
Guanyu Wang, Nicolas Moitessier, Anthony K. Mittermaier
Summary: This article discusses the development of covalent drugs over the past century and recent advancements in covalent drug research, with a focus on computational and biophysical methods in the design of prolyl oligopeptidase (POP) and SARS-CoV-2 3CL(pro) covalent inhibitors.
CHEMICAL COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Yixin Yu, Yujie Jiang, Chaohui Zhang, Qiang Bai, Fengyue Fu, Siheng Li, Lina Wang, William W. Yu, Ning Sui, Zhiling Zhu
Summary: Improving the catalytic activity and expanding the scope of nanozymes, with the aid of machine learning, can enhance the development of nanozymes. A study on the peroxidase (POD) mimic reaction catalyzed by nonmetal atom doped graphdiyne (GDY) identified two GDYs (B-GDY and N-GDY) with the best performance. The extreme gradient boosting (XGB) algorithm was used to predict the relationship between model parameters and energy barriers, reducing calculation efforts. The experimental results validated the accuracy of the predicted trends, demonstrating the potential of machine learning in optimizing nanozyme performance.
ACS MATERIALS LETTERS
(2022)
Article
Chemistry, Physical
Walid Dachraoui, Rolf Erni
Summary: This study utilizes in situ liquid cell scanning transmission electron microscopy to track the growth of Pd nanoparticles at the atomic scale. The results reveal that the formation of Pd nanoparticles involves multiple steps, including nonclassical nucleation and multi-step growth processes. These findings confirm the importance of element-specific interactions in determining the pathway of crystalline nanoparticle formation, even under identical synthesis conditions.
CHEMISTRY OF MATERIALS
(2023)
Article
Engineering, Civil
Mehrdad Ghyabi, Luke C. C. Timber, Gholamreza Jahangiri, David Lattanzi, Harry W. W. Shenton III, Michael J. J. Chajes, Monique H. H. Head
Summary: This paper presents a case study on the use of vision-based methods for bridge load testing and compares digital image correlation (DIC) approach with a phase-based optical flow method. The results show that vision-based methods can provide comparable results to conventional sensor installations, and the DIC system yields generally better accuracy.
JOURNAL OF BRIDGE ENGINEERING
(2023)
Article
Engineering, Civil
Shima Rajaei, Graham Hogsett, Biswash Chapagain, Suman Banjade, Wassim Ghannoum
Summary: A high-resolution digital image correlation (DIC) system was developed for monitoring bridge deformations under load testing. It offers advantages such as low cost, ease of operation, quick setup, large field of view monitoring, and high accuracy.
JOURNAL OF BRIDGE ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Megan N. Aardema, Jamison Koeman, Douglas A. Vander Griend
Summary: The article calculates the soft-sphere ionic radii of alkali and halide ions by determining the partial molar volume of the ions in aqueous solution and applies this data to solid-state structure modeling. By setting the volume of Li(I) to 5.2 mL/mol, accurate modeling of solid-state structures for all 15 alkali halides is achieved, reinforcing connections between solution and solid phases.
JOURNAL OF CHEMICAL EDUCATION
(2021)
Article
Chemistry, Multidisciplinary
Dongyu Liu, Bin Yu, Xin Guan, Bin Song, Huikai Pan, Renbing Wang, Xi Feng, Lixia Pan, Huidan Huang, Zhe Wang, Hongxi Wu, Zhixia Qiu, Zhiyu Li, Jinlei Bian
Summary: This study introduces a novel dimerized STING agonist, diBSP01, which shows promising binding and activation properties for STING in vitro with the benzo[b]selenophene scaffold. Additionally, the study presents the development of the first photoactivatable STING agonist, caged-diBSP01, which demonstrates no biological potency without light stimulation but regains its STING agonistic activity after 400 nm irradiation. The optically controlled in vivo anticancer activity of caged-diBSP01 is also validated in a zebrafish xenograft model.
Article
Chemistry, Physical
Nicholas C. Bruno, Ronita Mathias, Young Joo Lee, Guanghui Zhu, Yun-Ho Ahn, Neel D. Rangnekar, J. R. Johnson, Scott Hoy, Irene Bechis, Andrew Tarzia, Kim E. Jelfs, Benjamin A. McCool, Ryan Lively, M. G. Finn
Summary: By synthesizing stable microporous polymers using click chemistry, membrane-based separation technology can be used to fractionate light crude oil and heavy feeds under realistic conditions, showing similar performance to commercial polyimides.
Article
Biochemistry & Molecular Biology
Wataru Asano, Kenji Yamanaka, Yasunori Ohara, Toru Uhara, Satoki Doi, Takuya Orita, Tomoko Iwanaga, Tsuyoshi Adachi, Shingo Fujioka, Tatsuo Akaki, Kazutaka Ikegashira, Yoshiji Hantani
Summary: Tyrosine phosphorylation is a vital post-translational modification that regulates various biological events and is linked to numerous diseases. Vascular endothelial protein tyrosine phosphatase (VE-PTP) is an important target for diseases like cancer and atherosclerosis. In this study, a new VE-PTP inhibitor, Cpd-2, was discovered through fragment-based screening and biophysical techniques. Cpd-2 is the first weakly acidic and highly selective VE-PTP inhibitor, showing potential for the development of bioavailable inhibitors.
Article
Chemistry, Multidisciplinary
Ruzica Erceg, Jelena P. Maksimovic, Maja C. Pagnacco
Summary: The study focuses on optimizing experimental conditions for UV-Vis measurements involving gas products in chemical reactions, particularly oscillatory reactions, using an internal standard. Results demonstrate the importance of internal standards and the resolution of UV-Vis noise issues.
JOURNAL OF CHEMICAL EDUCATION
(2021)
Article
Engineering, Electrical & Electronic
Yan Zhu, Bing Xu, Zhiwei Li, Jingxin Hou, Qijie Wang
Summary: Ground-Based synthetic aperture radar (GBSAR) is an effective technique for monitoring surface deformation and structural vibrations. Experimental results show that comparing GPS data with radar interferometer results can evaluate radar accuracy, and the proposed denoising method significantly improves the precision of scatterers.
IEEE JOURNAL OF SELECTED TOPICS IN APPLIED EARTH OBSERVATIONS AND REMOTE SENSING
(2021)
Article
Engineering, Civil
Premjeet Singh, Ayan Sadhu
Summary: A novel condition assessment method is proposed in this paper, using fewer sensors to monitor bridge responses when subjected to moving vehicles, addressing various practical challenges associated with bridge inspection.
Article
Chemistry, Physical
Marko R. Ivancevic, Melissa L. Ball, Vinayak Bhat, Jesse A. Wisch, Sean R. Parkin, Chad Risko, Barry P. Rand, Yueh-Lin Loo
Summary: Contorted polycyclic aromatic molecules have been studied as host molecules for fullerenes, but their association is generally weak. In this study, researchers designed and synthesized π-extended buckybowls with larger surface areas. These buckybowls can form stronger complexes with fullerenes, especially those with butoxy side chains, due to their larger dipole moments and preferred 1:2 stoichiometry.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Timo Glaser, Jannick Meinecke, Christian Laenger, Julian Heep, Ulrich Koert, Michael Duerr
Summary: The synthesis of organic bilayers on silicon was achieved through a combination of surface functionalization under ultrahigh vacuum conditions and solution-based click chemistry; each reaction step was monitored in UHV, with up to 50-60% of the ethynyl cyclopropyl cyclooctyne molecules on the surface reacting with the azide groups.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Review
Chemistry, Multidisciplinary
Brent Daelemans, Nerea Bilbao, Wim Dehaen, Steven De Feyter
Summary: Carbocatalysis is a sustainable alternative to metal-based catalysis, with focus shifting to the analysis of the carbon material itself. High-resolution imaging tools are efficient in assessing catalyst on-surface composition, and self-assembly strategy on graphite shows great potential in directing chemical reaction outcomes.
CHEMICAL SOCIETY REVIEWS
(2021)
Article
Physiology
Ranganath Mamidi, Joshua B. Holmes, Chang Yoon Doh, Katherine L. Dominic, Nikhil Madugula, Julian E. Stelzer
Summary: This study investigated the effects of OM on force generation and cross-bridge kinetics in myocardial preparations with reduced cMyBPC phosphorylation. The results showed significant differences in the effects of OM between WT and SA myocardial preparations, suggesting an interplay between OM and XB behavior which may alter the cardiac response to 13-adrenergic stimulation.
JOURNAL OF GENERAL PHYSIOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Chang Yoon Doh, Nikhil Bharambe, Joshua B. Holmes, Katherine L. Dominic, Caitlin E. Swanberg, Ranganath Mamidi, Yinghua Chen, Smarajit Bandyopadhyay, Rajesh Ramachandran, Julian E. Stelzer
Summary: The flexible interdomain linker and cardiac-isoform specific loop in the central C4 and C5 domains of cMyBPC play important roles in its functional regulation. These regions modulate the secondary structure and thermal stability of C4C5, and can adopt a completely bent or latched conformation, as demonstrated through extended molecular dynamics simulations and principle component analyses.The hinge-and-latch mechanism proposed in this study suggests that the linker and loop regions participate in dynamic modulation of cMyBPC's motion and global conformation.
JOURNAL OF STRUCTURAL BIOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Chang Yoon Doh, Katherine L. Dominic, Caitlin E. Swanberg, Nikhil Bharambe, Belinda B. Willard, Ling Li, Rajesh Ramachandran, Julian E. Stelzer
Summary: This study revealed the presence of phosphorylation, acetylation, and ubiquitination in the central C4C5 domains of mouse cMyBPC. The S690 site was identified as the major phosphorylation target of PKA and PKG1. These post-translational modifications suggest potential regulatory roles of the central domains in cardiac health and disease.
Article
Physiology
Katherine L. Dominic, Joohee Choi, Joshua B. Holmes, Mandeep Singh, Michael J. Majcher, Julian E. Stelzer
Summary: This study investigated the in vivo consequences of expressing a N-terminal truncated form of cardiac myosin binding protein C (cMyBPC). The results showed that expression of the truncated cMyBPC improved cardiac function, but did not affect the recruitment or detachment rate of cross-bridges, unlike the full-length cMyBPC.
JOURNAL OF GENERAL PHYSIOLOGY
(2023)
Article
Cardiac & Cardiovascular Systems
Joshua Holmes, Madeleine Lemieux, Julian Stelzer
Summary: Detailed assessments of whole heart mechanics are crucial for understanding the consequences of sarcomere perturbations that lead to cardiomyopathy in mice. Echocardiography offers an accessible and cost-effective method of obtaining metrics of cardiac function, but routine imaging and analysis protocols may not identify subtle mechanical deficiencies. This study used advanced echocardiography imaging and analysis techniques to identify previously unrecognized mechanical deficiencies in a mouse model of dilated cardiomyopathy (DCM) before the onset of overt systolic heart failure (HF). The findings indicate that subtle deficiencies in left ventricular mechanics may act as pathogenic stimuli in DCM-linked HF.
AMERICAN JOURNAL OF PHYSIOLOGY-HEART AND CIRCULATORY PHYSIOLOGY
(2023)
Article
Cardiac & Cardiovascular Systems
Joohee Choi, Joshua B. Holmes, Kenneth S. Campbell, Julian E. Stelzer
Summary: OM and danicamtiv increase myocardial force output through different mechanisms, with OM significantly increasing Ca2+ sensitivity of force generation and danicamtiv having a less pronounced effect. Both drugs slow down cross-bridge kinetics, but danicamtiv has a more pronounced inhibitory effect on the OM-induced dynamic delay.
JOURNAL OF THE AMERICAN HEART ASSOCIATION
(2023)
Article
Surgery
Chang Yoon Doh, Patrick J. Maluso, Casey L. Kohler, Justin E. Dvorak
Summary: Social media challenges pose potential risks of severe burn injuries for young people, which highlights the importance of public awareness, education, and further research in this area.
Article
Cardiac & Cardiovascular Systems
Patrick R. Vargo, Christopher L. Tarola, Emily Durbak, Chang Yoon Doh, Francis J. Caputo, Christopher J. Smolock, Eric E. Roselli
Summary: The use of a composite thoracic stent graft and thoracoabdominal bare metal extension stenting strategy may improve aortic remodeling in patients with Debakey I/IIIb aortic dissection, promoting true lumen re-expansion and false lumen thrombosis.
Meeting Abstract
Biophysics
Chang Yoon Doh, Katherine L. Dominic, Caitlin E. Swanberg, Nikhil Bharambe, Ling Li, Belinda Willard, Rajesh Ramachandran, Julian E. Stelzer
BIOPHYSICAL JOURNAL
(2022)