المؤلفون: Yu, Gary

الوصف: This thesis presents all-atom molecular dynamics simulations and the development of coarse-grained models for various classes of liquid crystals. The overall aim was to parametrise chemically specific models, propagating information between different resolutions through multiscale modelling approaches, to investigate hierarchical self-assembly in soft matter systems. Common coarse-graining methods were assessed in terms of their representability and transferability for applications involving thermotropic calamitic and discotic mesogens, and lyotropic chromonic liquid crystals. Extensive all-atom simulations were performed on: bent liquid crystal dimers, such as CB7CB; ionic cyanine dyes in aqueous solution (PIC, PCYN, TTBC and BIC); a chromonic perylene bisimide dye (PER); and its thermotropic discotic analogue (PEROEG). These serve as references to parametrise/validate lower resolution models and to provide insights into these systems at the molecular level. For CB7CB, the twist-bend nematic (NTB) phase is observed and characterised. The self-assembly of cyanine dyes and chromonic mesogens was studied by calculating ΔG_assoc, ΔH_assoc and ΔS_assoc for the association of n-mers (where n = 2, 3 or 4). Structures of H-aggregate stacks, with shift and Y junction defects, and J-aggregates with a brickwork arrangement were detected. Coarse-graining approaches including iterative Boltzmann inversion (IBI), multiscale coarse-graining (MS-CG) in the form of hybrid force matching (FM) and the Martini 3 force field were utilised for the aforementioned systems. A FM model of CB7CB demonstrates high representability and transferability; the NTB phase is captured and the full phase diagram can be explored via heating or cooling. An optimised Martini model correctly exhibits the chromonic nematic and hexagonal phases for PER at the expected concentrations. For PEROEG, an IBI model was found to be superior in modelling the columnar-hexagonal phase. This thesis discusses, in detail, the successes and failures of the various coarse-graining strategies. While successful coarse-graining of liquid crystals remains a challenge, this thesis demonstrates that, with the right choice of method, high-quality coarse-grained models can be developed for both thermotropic and lyotropic systems.

الوصول الحر: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.857564Test

المؤلفون: Hollander, Ellen, Tam, Chin, Quinones, Saribel, Nahum, Jennifer L., Yu, Gary, Tilley, Charles

المصدر: Women and Children Nursing ; ISSN 2949-7515

الإتاحة: https://doi.org/10.1016/j.wcn.2024.03.001Test
https://api.elsevier.com/content/article/PII:S2949751524000020?httpAccept=text/xmlTest
https://api.elsevier.com/content/article/PII:S2949751524000020?httpAccept=text/plainTest

المؤلفون: Xu, Jingyi, Qiu, Xing, Yu, Gary, Ly, Maria, Yang, Jun, Silva, Rona M, Zhang, Xun, Yu, Mang, Wang, Yinong, Hammock, Bruce, Pinkerton, Kent E, Zhao, Dewei

مصطلحات موضوعية: Biomedical and Clinical Sciences, Clinical Sciences, Tobacco, Tobacco Smoke and Health, Good Health and Well Being, Animals, Disease Models, Animal, Enzyme Inhibitors, Epoxide Hydrolases, Femur Head, Femur Head Necrosis, Hypertension, Hypoxia-Inducible Factor 1, alpha Subunit, Male, Osteocytes, Phenylurea Compounds, Piperidines, Rats, Inbred SHR, Rats, Inbred WKY, Smoke, Nicotiana, Vascular Endothelial Growth Factor A, Rats, Tobacco smoke, Osteonecrosis the femoral head, Spontaneously hypertensive rats, Soluble epoxide hydrolase inhibitors, Pharmacology and Pharmaceutical Sciences, Toxicology, Pharmacology and pharmaceutical sciences

الوصف: Exposure to tobacco smoke (TS) has been considered a risk factor for osteonecrosis of the femoral head (ONFH). Soluble epoxide hydrolase inhibitors (sEHIs) have been found to reduce inflammation and oxidative stress in a variety of pathologies. This study was designed to assess the effect of sEHI on the development of ONFH phenotypes induced by TS exposure in spontaneously hypertensive (SH) rats. SH and normotensive Wistar Kyoto (WKY) rats were exposed to filtered air (FA) or TS (80 mg/m3 particulate concentration) 6 h/day, 3 days/week for 8 weeks. During this period, sEHI was delivered through drinking water at a concentration of 6 mg/L. Histology, immunohistochemistry, and micro-CT morphometry were performed for phenotypic evaluation. As results, TS exposure induced significant increases in adipocyte area, bone specific surface (BS/BV), and trabecular separation (Tb.SP), as well as significant decreases in bone mineral density (BMD), percent trabecular area (Tb.Ar), HIF-1a expression, bone volume fraction (BV/TV), trabecular numbers (Tb.N), and trabecular thickness (Tb.Th) in both SH and WKY rats. However, the protective effects of sEHI were mainly observed in TS-exposed SH rats, specifically in the density of osteocytes, BMD, Tb.Ar, HIF-1a expression, BV/TV, BS/BV, Tb.N, and Tb.SP. Our study confirms that TS exposure can induce ONFH especially in SH rats, and suggests that sEHI therapy may protect against TS exposure-induced osteonecrotic changes in the femoral head.

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/8p6236ptTest
https://escholarship.org/content/qt8p6236pt/qt8p6236pt.pdfTest

المؤلفون: Zhao, Yu (Gary), El-Gayar, Omar, Tu, Zhiling

مصطلحات موضوعية: Application and Adoption of Emerging Technologies: From Artificial Intelligence to Metaverse, ai-enabled application, ai features, intention to use, task-technology fit

الوصف: Artificial Intelligence (AI) technologies such as machine learning (ML), natural language processing (NLP), and image recognition, are being incorporated into a wide variety of applications. These AI-enabled applications (AIapps) promise to reshape people's lives. However, despite the proliferation of AI-related research, very little research has focused on how AIapps' unique characteristics affect an individual's adoption behavior. This study examines factors influencing an individual's intention to use AIapps with a proposed research model based on the Task-Technology Fit (TTF) as the underlying theoretical framework. The research model is empirically evaluated using the survey data and SEM method. Theoretically, this study focuses on how the unique characteristics of AIapps influence the task-technology fit and drive the intention of use. The findings are expected to help AIapp developers to evaluate the relative importance of AIapp features which can provide insights into the technology characteristics and identify priorities for further research and development.

وصف الملف: application/pdf

العلاقة: Proceedings of the 56th Hawaii International Conference on System Sciences; https://hdl.handle.net/10125/103426Test

الإتاحة: https://doi.org/10.24251/HICSS.2023.792Test
https://hdl.handle.net/10125/103426Test

المؤلفون: Wilson, Mark R., Yu, Gary

المصدر: Crystals, 2023, Vol.13(3) [Peer Reviewed Journal]

الوصف: In recent years, a number of achiral liquid crystal dimer molecules have been shown to exhibit nematic–nematic phase transitions. The lower temperature phase has been identified as the NTB phase, which demonstrates emergent chirality in the spontaneous formation of a heliconical structure. Recent fully atomistic simulations of the molecule CB7CB (1,7-bis-4-(4′ -cyanobiphenyl) heptane), a dimer with an odd number of carbon spacers between the mesogenic parts of the molecule, have captured the NTB –N–I phase sequence, providing a picture of the order at a molecular level. In this paper, we use atomistic simulations of CB7CB to develop a coarse-grained model using systematic coarse graining in the NTB phase. We use both force matching (in the form of the MS-CG method) and iterative Boltzmann inversion (IBI) methodologies. Both techniques capture the heliconical order within the NTB phase. Moreover, the model developed via force matching is shown to provide an excellent representation of the atomistic simulation reference model and, remarkably, demonstrates good transferability across temperatures, allowing the NTB –N and N–I phase transitions to be simulated. We also compare results with those of a Martini 3-based coarse-grained model.

وصف الملف: application/pdf

العلاقة: dro:38549; http://dro.dur.ac.uk/38549Test/; https://doi.org/10.3390/cryst13030502Test; http://dro.dur.ac.uk/38549/1/38549.pdfTest

الإتاحة: https://doi.org/10.3390/cryst13030502Test
http://dro.dur.ac.uk/38549Test/
http://dro.dur.ac.uk/38549/1/38549.pdfTest

المؤلفون: Lingjuan Zhang, Xuanxuan Han, Shuai Zhang, Junjie Du, Jiancheng Zhang, Yu Gary Gao, Pengfei Wang, Xiaopeng Mu

المصدر: Horticulturae; Volume 9; Issue 7; Pages: 806

مصطلحات موضوعية: Cerasus humilis, fruit volatile compounds, genotype variation, HS-SPME, GC-MS

جغرافية الموضوع: agris

الوصف: The fruits of Cerasus humilis have a unique and pleasant aroma. In this study, the volatile compounds of ripe fruits of 53 C. humilis genotypes were extracted via headspace solid-phase microextraction (HS-SPME) and identified via gas chromatography coupled with mass spectrometry (GC-MS). In total, 253 volatile compounds were detected, among which esters and terpenoids were the most dominant volatile components. We also found that the total volatiles contents varied significantly among genotypes with different ripening periods, with middle-ripening periods genotypes having higher total volatile content compared to either early- or late-ripening period genotypes. Moreover, genotypes with yellow fruit peels had higher total volatile contents. Our study revealed the volatile profiles of 53 different C. humilis genotypes and their potential linkages with other fruit parameters. These results should help fruit researchers gain a deeper understanding of the biochemical, physiological, and molecular mechanisms of fruit aroma development for high fruit aroma-targeted breeding of fruit cultivars.

وصف الملف: application/pdf

العلاقة: https://dx.doi.org/10.3390/horticulturae9070806Test

الإتاحة: https://doi.org/10.3390/horticulturae9070806Test

المؤلفون: Piao Yang, Lijing Zhao, Yu Gary Gao, Ye Xia

المصدر: Plants; Volume 12; Issue 9; Pages: 1765

مصطلحات موضوعية: Pseudomonas syringae, pathogen detection, pathogen diagnosis, plant disease triangle, plant fitness tetrahedron, plant disease management hexagon

جغرافية الموضوع: agris

الوصف: Plant diseases caused by the pathogen Pseudomonas syringae are serious problems for various plant species worldwide. Accurate detection and diagnosis of P. syringae infections are critical for the effective management of these plant diseases. In this review, we summarize the current methods for the detection and diagnosis of P. syringae, including traditional techniques such as culture isolation and microscopy, and relatively newer techniques such as PCR and ELISA. It should be noted that each method has its advantages and disadvantages, and the choice of each method depends on the specific requirements, resources of each laboratory, and field settings. We also discuss the future trends in this field, such as the need for more sensitive and specific methods to detect the pathogens at low concentrations and the methods that can be used to diagnose P. syringae infections that are co-existing with other pathogens. Modern technologies such as genomics and proteomics could lead to the development of new methods of highly accurate detection and diagnosis based on the analysis of genetic and protein markers of the pathogens. Furthermore, using machine learning algorithms to analyze large data sets could yield new insights into the biology of P. syringae and novel diagnostic strategies. This review could enhance our understanding of P. syringae and help foster the development of more effective management techniques of the diseases caused by related pathogens.

وصف الملف: application/pdf

العلاقة: Plant Protection and Biotic Interactions; https://dx.doi.org/10.3390/plants12091765Test

الإتاحة: https://doi.org/10.3390/plants12091765Test

المؤلفون: Li, Jie, Canham, Stephen M., Wu, Hua, Henault, Martin, Chen, Lihao, Liu, Guoxun, Chen, Yu, Yu, Gary, Miller, Howard R., Hornak, Viktor, Brittain, Scott M., Michaud, Gregory A., Tutter, Antonin, Broom, Wendy, Digan, Mary Ellen, McWhirter, Sarah M., Sivick, Kelsey E., Pham, Helen T., Chen, Christine H., Tria, George S., McKenna, Jeffery M., Schirle, Markus, Mao, Xiaohong, Nicholson, Thomas B., Wang, Yuan, Jenkins, Jeremy L., Jain, Rishi K., Tallarico, John A., Patel, Sejal J., Zheng, Lianxing, Ross, Nathan T., Cho, Charles Y., Zhang, Xuewu, Bai, Xiao-Chen, Feng, Yan

المساهمون: U.S. Department of Health & Human Services | NIH | National Cancer Institute, Welch Foundation, Cancer Prevention and Research Institute of Texas

المصدر: Nature Chemical Biology ; ISSN 1552-4450 1552-4469

مصطلحات موضوعية: Cell Biology, Molecular Biology

الوصف: Stimulator of interferon genes (STING) is a dimeric transmembrane adapter protein that plays a key role in the human innate immune response to infection and has been therapeutically exploited for its antitumor activity. The activation of STING requires its high-order oligomerization, which could be induced by binding of the endogenous ligand, cGAMP, to the cytosolic ligand-binding domain. Here we report the discovery through functional screens of a class of compounds, named NVS-STGs, that activate human STING. Our cryo-EM structures show that NVS-STG2 induces the high-order oligomerization of human STING by binding to a pocket between the transmembrane domains of the neighboring STING dimers, effectively acting as a molecular glue. Our functional assays showed that NVS-STG2 could elicit potent STING-mediated immune responses in cells and antitumor activities in animal models.

الإتاحة: https://doi.org/10.1038/s41589-023-01434-yTest
https://www.nature.com/articles/s41589-023-01434-y.pdfTest
https://www.nature.com/articles/s41589-023-01434-yTest

المؤلفون: Ngo, Victoria Khanh, Vu, Thinh Toan, Vu, Quan Anh, McBain, Ryan, Yu, Gary, Nguyen, Ngoc Bao, Mai Thi Nguyen, Hien, Ho, Hien Thi, Van Hoang, Minh

المساهمون: National Institute of Mental Health

المصدر: BMC Public Health ; volume 23, issue 1 ; ISSN 1471-2458

مصطلحات موضوعية: Public Health, Environmental and Occupational Health

الوصف: Background It is not clear what the most effective implementation strategies are for supporting the enactment and sustainment of depression care services in primary care settings. This type-II Hybrid Implementation-Effectiveness study will compare the effectiveness of three system-level strategies for implementing depression care programs at 36 community health stations (CHSs) across 2 provinces in Vietnam. Methods In this cluster-randomized controlled trial, CHSs will be randomly assigned to one of three implementation conditions: (1) Usual Implementation (UI), which consists of training workshops and toolkits; (2) Enhanced Supervision (ES), which includes UI combined with bi-weekly/monthly supervision; and (3) Community-Engaged Learning Collaborative (CELC), which includes all components of ES, combined with bi-monthly province-wide learning collaborative meetings, during which cross-site learning and continuous quality improvement (QI) strategies are implemented to achieve better implementation outcomes. The primary outcome will be measured based on the RE-AIM framework (Reach, Effectiveness, Adoption, Implementation quality, and Maintenance) using indicators on implementation, provider, and client factors. The secondary outcome examines factors associated with barriers and facilitators of quality implementation, while the tertiary outcome evaluates the incremental cost-effectiveness ratio of services provided in the ES and CELC conditions, relative to UI condition for depression care. A total of 1,296 clients receiving depression care at CHSs will be surveyed at baseline and 6-month follow-up to assess mental health and psychosocial outcomes (e.g., depression and anxiety severity, health function, quality of life). Additionally, 180 CHS staff and 180 non-CHS staff will complete pre- and post-training evaluation and surveys at baseline, 6, 12, and 24 months. Discussion We hypothesize that the additional implementation supports will make mental health service implementation superior in the ES and CELC ...

الإتاحة: https://doi.org/10.1186/s12889-023-16312-4Test

المؤلفون: Yu, François T.H., Amjad, Muhammad Wahab, Mohammed, Soheb Anwar, Yu, Gary Z., Chen, Xucai, Pacella, John J.

المساهمون: National Institutes of Health, Lantheus Medical Imaging

المصدر: Ultrasound in Medicine & Biology ; volume 49, issue 1, page 152-164 ; ISSN 0301-5629

مصطلحات موضوعية: Acoustics and Ultrasonics, Radiology, Nuclear Medicine and imaging, Biophysics, Radiological and Ultrasound Technology

الإتاحة: https://doi.org/10.1016/j.ultrasmedbio.2022.08.009Test
https://api.elsevier.com/content/article/PII:S0301562922005348?httpAccept=text/xmlTest
https://api.elsevier.com/content/article/PII:S0301562922005348?httpAccept=text/plainTest