23 results on '"Hong, Qi"'
Search Results
2. The pre-surgical role of halo-traction in patients with cervical infection associated with refractory kyphosis: a retrospective study
- Author
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Daudi R. Manini, Hong-Qi Zhang, Qile Gao, Shao-Hua Liu, Wang YuXiang, Ming-Xing Tang, Deng An, Chao-Feng Guo, and Du YuXuan
- Subjects
Medicine ,Science - Abstract
Abstract To minimize surgical complications and staged procedures halo-traction is often used during deformity corrections. But the use of halo-traction in the treatment of refractory cervical kyphosis secondary to infections has never been reported. This study investigated the role of halo-traction in the treatment of cervical infection patients associated with refractory kyphosis. We retrospectively reviewed 48 patients with cervical infection associated with refractory kyphosis who were treated in our spine department. Patients were divided into two groups, the traction group (A) and the non-traction group (B). Group A underwent preoperative halo-traction followed by surgery, while group B underwent surgery alone. Between the two groups, we analyzed the kyphosis deformity correction, level of fusions, erythrocyte sedimentation rate (ESR), C-reactive protein (CRP), functional improvement by Neck disability index (NDI) score, and complications. Group A had a better correction of kyphosis deformity compared to group B (27.01 ± 11.54)0 versus (18.08 ± 10.04)0 (P = 0.01, Z = − 2.44). No statistically significant differences between the two groups in terms of functional improvement, level of fusions, ESR and CRP. Group B had 3 revision surgery cases. Preoperative halo-traction followed by surgery is superior in kyphosis correction in the treatment of patients with cervical infections with refractory kyphosis.
- Published
- 2023
- Full Text
- View/download PDF
3. Predicting outcomes for locally advanced rectal cancer treated with neoadjuvant chemoradiation with CT-based radiomics
- Author
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Fuqiang Wang, Boon Fei Tan, Sharon Shuxian Poh, Tian Rui Siow, Faye Lynette Wei Tching Lim, Connie Siew Poh Yip, Michael Lian Chek Wang, Wenlong Nei, and Hong Qi Tan
- Subjects
Medicine ,Science - Abstract
Abstract A feasibility study was performed to determine if CT-based radiomics could play an augmentative role in predicting neoadjuvant rectal score (NAR), locoregional failure free survival (LRFFS), distant metastasis free survival (DMFS), disease free survival (DFS) and overall survival (OS) in locally advanced rectal cancer (LARC). The NAR score, which takes into account the pathological tumour and nodal stage as well as clinical tumour stage, is a validated surrogate endpoint used for early determination of treatment response whereby a low NAR score ( 16) has been correlated with poorer outcomes. CT images of 191 patients with LARC were used in this study. Primary tumour (GTV) and mesorectum (CTV) were contoured separately and radiomics features were extracted from both segments. Two NAR models (NAR > 16 and NAR 16 and NAR 16 and NAR
- Published
- 2022
- Full Text
- View/download PDF
4. Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2.
- Author
-
Hong, Qi-Jun, Ushakov, Sergey V, Kapush, Denys, Benmore, Chris J, Weber, Richard JK, van de Walle, Axel, and Navrotsky, Alexandra
- Subjects
Biochemistry and Cell Biology ,Other Physical Sciences - Abstract
Structure and thermodynamics of pure cubic ZrO2 and HfO2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 °C) to their melting points (2710 and 2800 °C). Computations were performed using automated ab initio molecular dynamics techniques. High temperature synchrotron X-ray diffraction on laser heated aerodynamically levitated samples provided experimental data on volume change during tetragonal-to-cubic phase transformation (0.55 ± 0.09% for ZrO2 and 0.87 ± 0.08% for HfO2), density and thermal expansion. Fusion enthalpies were measured using drop and catch calorimetry on laser heated levitated samples as 55 ± 7 kJ/mol for ZrO2 and 61 ± 10 kJ/mol for HfO2, compared with 54 ± 2 and 52 ± 2 kJ/mol from computation. Volumetric thermal expansion for cubic ZrO2 and HfO2 are similar and reach (4 ± 1)·10-5/K from experiment and (5 ± 1)·10-5/K from computation. An agreement with experiment renders confidence in values obtained exclusively from computation: namely heat capacity of cubic HfO2 and ZrO2, volume change on melting, and thermal expansion of the liquid to 3127 °C. Computed oxygen diffusion coefficients indicate that above 2400 °C pure ZrO2 is an excellent oxygen conductor, perhaps even better than YSZ.
- Published
- 2018
5. Author Correction: Copy number variation in the CES1 gene and the risk of non-alcoholic fatty liver in a Chinese Han population
- Author
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Chen, Bing bing, Yan, Jian hui, Zheng, Jing, Peng, He wei, Cai, Xiao ling, Pan, Xin ting, Li, Hui quan, Hong, Qi zhu, and Peng, Xian-E
- Published
- 2022
- Full Text
- View/download PDF
6. Predicting outcomes for locally advanced rectal cancer treated with neoadjuvant chemoradiation with CT-based radiomics
- Author
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Wang, Fuqiang, Tan, Boon Fei, Poh, Sharon Shuxian, Siow, Tian Rui, Lim, Faye Lynette Wei Tching, Yip, Connie Siew Poh, Wang, Michael Lian Chek, Nei, Wenlong, and Tan, Hong Qi
- Published
- 2022
- Full Text
- View/download PDF
7. Retentive capacity of power output and linear versus non-linear mapping of power loss in the isotonic muscular endurance test
- Author
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Hong-qi Xu, Yong-tai Xue, Zi-jian Zhou, Koon Teck Koh, Xin Xu, Ji-peng Shi, Shou-wei Zhang, Xin Zhang, and Jing Cai
- Subjects
Medicine ,Science - Abstract
Abstract The limit of dynamic endurance during repetitive contractions has been referred to as the point of muscle fatigue, which can be measured by mechanical and electrophysiological parameters combined with subjective estimates of load tolerance for revealing the human real-world capacity required to work continuously. In this study, an isotonic muscular endurance (IME) testing protocol under a psychophysiological fatigue criterion was developed for measuring the retentive capacity of the power output of lower limb muscles. Additionally, to guide the development of electrophysiological evaluation methods, linear and non-linear techniques for creating surface electromyography (sEMG) models were compared in terms of their ability to estimate muscle fatigue. Forty healthy college-aged males performed three trials of an isometric peak torque test and one trial of an IME test for the plantar flexors and knee and hip extensors. Meanwhile, sEMG activity was recorded from the medial gastrocnemius, lateral gastrocnemius, vastus medialis, rectus femoris, vastus lateralis, gluteus maximus, and biceps femoris of the right leg muscles. Linear techniques (amplitude-based parameters, spectral parameters, and instantaneous frequency parameters) and non-linear techniques (a multi-layer perception neural network) were used to predict the time-dependent power output during dynamic contractions. Two mechanical manifestations of muscle fatigue were observed in the IME tests, including power output reduction between the beginning and end of the test and time-dependent progressive power loss. Compared with linear mapping (linear regression) alone or a combination of sEMG variables, non-linear mapping of power loss during dynamic contractions showed significantly higher signal-to-noise ratios and correlation coefficients between the actual and estimated power output. Muscular endurance required in real-world activities can be measured by considering the amount of work produced or the activity duration via the recommended IME testing protocol under a psychophysiological termination criterion. Non-linear mapping techniques provide more powerful mapping of power loss compared with linear mapping in the IME testing protocol.
- Published
- 2021
- Full Text
- View/download PDF
8. Retentive capacity of power output and linear versus non-linear mapping of power loss in the isotonic muscular endurance test
- Author
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Xu, Hong-qi, Xue, Yong-tai, Zhou, Zi-jian, Koh, Koon Teck, Xu, Xin, Shi, Ji-peng, Zhang, Shou-wei, Zhang, Xin, and Cai, Jing
- Published
- 2021
- Full Text
- View/download PDF
9. Copy number variation in the CES1 gene and the risk of non-alcoholic fatty liver in a Chinese Han population
- Author
-
Chen, Bing bing, Yan, Jian hui, Zheng, Jing, Peng, He wei, Cai, Xiao ling, Pan, Xin ting, Li, Hui quan, Hong, Qi zhu, and Peng, Xian-E
- Published
- 2021
- Full Text
- View/download PDF
10. KRAS K104 modification affects the KRASG12D-GEF interaction and mediates cell growth and motility
- Author
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Chen, Chih-Chieh, Hsu, Chia-Yi, Lin, Hsiao-Yun, Zeng, Hong-Qi, Cheng, Kuang-Hung, Wu, Chia-Wei, Tsai, Eing-Mei, and Hsieh, Tsung-Hua
- Published
- 2020
- Full Text
- View/download PDF
11. Retentive capacity of power output and linear versus non-linear mapping of power loss in the isotonic muscular endurance test
- Author
-
Xin Xu, Jing Cai, Xin Zhang, Koon Teck Koh, Zhou Zijian, Ji-peng Shi, Hong-qi Xu, Shou-wei Zhang, and Yong-tai Xue
- Subjects
Male ,Knee Joint ,Vastus medialis ,Science ,Isometric exercise ,Electromyography ,Biceps ,Article ,Young Adult ,Linear regression ,medicine ,Torque ,Humans ,Knee ,Muscle, Skeletal ,Fatigue ,Mathematics ,Leg ,Multidisciplinary ,Hip ,Muscle fatigue ,medicine.diagnostic_test ,Work (physics) ,Healthy Volunteers ,Biomechanical Phenomena ,Electrophysiological Phenomena ,Muscle Fatigue ,Physical Endurance ,Muscle ,Medicine ,Biomedical engineering ,Muscle Contraction - Abstract
The limit of dynamic endurance during repetitive contractions has been referred to as the point of muscle fatigue, which can be measured by mechanical and electrophysiological parameters combined with subjective estimates of load tolerance for revealing the human real-world capacity required to work continuously. In this study, an isotonic muscular endurance (IME) testing protocol under a psychophysiological fatigue criterion was developed for measuring the retentive capacity of the power output of lower limb muscles. Additionally, to guide the development of electrophysiological evaluation methods, linear and non-linear techniques for creating surface electromyography (sEMG) models were compared in terms of their ability to estimate muscle fatigue. Forty healthy college-aged males performed three trials of an isometric peak torque test and one trial of an IME test for the plantar flexors and knee and hip extensors. Meanwhile, sEMG activity was recorded from the medial gastrocnemius, lateral gastrocnemius, vastus medialis, rectus femoris, vastus lateralis, gluteus maximus, and biceps femoris of the right leg muscles. Linear techniques (amplitude-based parameters, spectral parameters, and instantaneous frequency parameters) and non-linear techniques (a multi-layer perception neural network) were used to predict the time-dependent power output during dynamic contractions. Two mechanical manifestations of muscle fatigue were observed in the IME tests, including power output reduction between the beginning and end of the test and time-dependent progressive power loss. Compared with linear mapping (linear regression) alone or a combination of sEMG variables, non-linear mapping of power loss during dynamic contractions showed significantly higher signal-to-noise ratios and correlation coefficients between the actual and estimated power output. Muscular endurance required in real-world activities can be measured by considering the amount of work produced or the activity duration via the recommended IME testing protocol under a psychophysiological termination criterion. Non-linear mapping techniques provide more powerful mapping of power loss compared with linear mapping in the IME testing protocol.
- Published
- 2021
12. KRAS K104 modification affects the KRASG12D-GEF interaction and mediates cell growth and motility
- Author
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Hong-Qi Zeng, Chia-Yi Hsu, Kuang-Hung Cheng, Eing-Mei Tsai, Tsung-Hua Hsieh, Chia-Wei Wu, Hsiao-Yun Lin, and Chih-Chieh Chen
- Subjects
Multidisciplinary ,Chemistry ,Cell growth ,Microarray analysis techniques ,Mutant ,lcsh:R ,Motility ,lcsh:Medicine ,medicine.disease_cause ,Cell biology ,Protein structure ,Acetylation ,medicine ,lcsh:Q ,KRAS ,lcsh:Science ,Gene - Abstract
Mutant RAS genes play an important role in regulating tumors through lysine residue 104 to impair GEF-induced nucleotide exchange, but the regulatory role of KRAS K104 modification on the KRASG12D mutant remains unclear. Therefore, we simulated the acetylation site on the KRASG12D three-dimensional protein structure, including KRASG12D, KRASG12D/K104A and KRASG12D/K104Q, and determined their trajectories and binding free energy with GEF. KRASG12D/K104Q induced structural changes in the α2- and α3-helices, promoted KRAS instability and hampered GEF binding (ΔΔG = 6.14 kJ/mol). We found decreased binding to the Raf1 RBD by KRASG12D/K104Q and reduced cell growth, invasion and migration. Based on whole-genome cDNA microarray analysis, KRASG12D/K104Q decreased expression of NPIPA2, DUSP1 and IL6 in lung and ovarian cancer cells. This study reports computational and experimental analyses of Lys104 of KRASG12D and GEF, and the findings provide a target for exploration for future treatment.
- Published
- 2020
- Full Text
- View/download PDF
13. Production of ethanol from Jerusalem artichoke by mycelial pellets
- Author
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Hong-Qi Yang, Huixue Ren, Daoji Wu, and Chao Zhang
- Subjects
0106 biological sciences ,0301 basic medicine ,Pellets ,lcsh:Medicine ,Industrial microbiology ,01 natural sciences ,Article ,Applied microbiology ,03 medical and health sciences ,chemistry.chemical_compound ,Hydrolysis ,010608 biotechnology ,Food science ,lcsh:Science ,Mycelium ,Multidisciplinary ,Ethanol ,biology ,lcsh:R ,Aspergillus niger ,biology.organism_classification ,Yeast ,030104 developmental biology ,chemistry ,lcsh:Q ,Fermentation ,Jerusalem artichoke - Abstract
Mycelial pellets formed by Aspergillus niger A-15 were used to immobilize the ethanol producing yeast Saccharomyces cerevisiae C-15. The operation parameters, such as agitation speed, temperature and mixed proportion of strains were studied. The optimal adsorption 66.9% was obtained when speed was 80r/min, temperature was 40 °C and mixed proportion(mycelial pellets: yeasts) was 1:10. With Jerusalem artichoke flour as substrate, 12.8% (V/V) of ethanol was obtained after 48 h by simultaneous saccharification and fermentation using mycelial pellets. And mycelial pellets could tolerate 19% (volume fraction) ethanol. The above results proved that this new technology was feasible, and it had the advantages of higher ethanol yield, long service life, repeated use, easy operation and lower cost in producing ethanol.
- Published
- 2019
14. Optimal microdomain crosstalk between endoplasmic reticulum and mitochondria for Ca2+ oscillations
- Author
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Jianwei Shuai, Hong Qi, and Linxi Li
- Subjects
Multidisciplinary ,Endoplasmic reticulum ,Lipid microdomain ,Mitochondrion ,Biology ,Endoplasmic Reticulum ,Models, Biological ,Article ,Mitochondria ,Cell biology ,Cytosol ,Crosstalk (biology) ,chemistry.chemical_compound ,chemistry ,Animals ,Humans ,Calcium ,Inositol ,Calcium Signaling ,Uniporter ,Calcium signaling - Abstract
A Ca(2+) signaling model is proposed to consider the crosstalk of Ca(2+) ions between endoplasmic reticulum (ER) and mitochondria within microdomains around inositol 1, 4, 5-trisphosphate receptors (IP3R) and the mitochondrial Ca(2+) uniporter (MCU). Our model predicts that there is a critical IP3R-MCU distance at which 50% of the ER-released Ca(2+) is taken up by mitochondria and that mitochondria modulate Ca(2+) signals differently when outside of this critical distance. This study highlights the importance of the IP3R-MCU distance on Ca(2+) signaling dynamics. The model predicts that when MCU are too closely associated with IP3Rs, the enhanced mitochondrial Ca(2+) uptake will produce an increase of cytosolic Ca(2+) spike amplitude. Notably, the model demonstrates the existence of an optimal IP3R-MCU distance (30-85 nm) for effective Ca(2+) transfer and the successful generation of Ca(2+) signals in healthy cells. We suggest that the space between the inner and outer mitochondria membranes provides a defense mechanism against occurrences of high [Ca(2+)]Cyt. Our results also hint at a possible pathological mechanism in which abnormally high [Ca(2+)]Cyt arises when the IP3R-MCU distance is in excess of the optimal range.
- Published
- 2015
- Full Text
- View/download PDF
15. Simple mathematical law benchmarks human confrontations
- Author
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Pedro D. Manrique, Roberto Zarama, Ana Morgenstern, Paul Gill, Hong Qi, Nicolas Velasquez, Neil F. Johnson, Daniel S. Messinger, Pablo Medina, Nicholas Johnson, Whitney I. Mattson, Guannan Zhao, Devon N. Gangi, Michael Spagat, John Horgan, Juan Camilo Bohorquez, and Elvira María Restrepo
- Subjects
Multidisciplinary ,Sexual violence ,Computer science ,Aggression ,Datasets as Topic ,Models, Theoretical ,Unrest ,16. Peace & justice ,01 natural sciences ,Article ,010305 fluids & plasmas ,Conflict, Psychological ,Identification (information) ,Shareholder ,Law ,Intervention (counseling) ,0103 physical sciences ,Benchmark (computing) ,medicine ,Humans ,medicine.symptom ,010306 general physics - Abstract
Many high-profile societal problems involve an individual or group repeatedly attacking another – from child-parent disputes, sexual violence against women, civil unrest, violent conflicts and acts of terror, to current cyber-attacks on national infrastructure and ultrafast cyber-trades attacking stockholders. There is an urgent need to quantify the likely severity and timing of such future acts, shed light on likely perpetrators, and identify intervention strategies. Here we present a combined analysis of multiple datasets across all these domains which account for >100,000 events, and show that a simple mathematical law can benchmark them all. We derive this benchmark and interpret it, using a minimal mechanistic model grounded by state-of-the-art fieldwork. Our findings provide quantitative predictions concerning future attacks; a tool to help detect common perpetrators and abnormal behaviors; insight into the trajectory of a ‘lone wolf'; identification of a critical threshold for spreading a message or idea among perpetrators; an intervention strategy to erode the most lethal clusters; and more broadly, a quantitative starting point for cross-disciplinary theorizing about human aggression at the individual and group level, in both real and online worlds.
- Published
- 2013
- Full Text
- View/download PDF
16. Abrupt rise of new machine ecology beyond human response time
- Author
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Hong Qi, Brian F. Tivnan, Guannan Zhao, Neil F. Johnson, Eric Hunsader, Nicholas Johnson, and Jing Meng
- Subjects
Multidisciplinary ,Computer science ,Ecology ,Ecology (disciplines) ,Financial market ,Response time ,Article - Abstract
Society's techno-social systems are becoming ever faster and more computer-orientated. However, far from simply generating faster versions of existing behaviour, we show that this speed-up can generate a new behavioural regime as humans lose the ability to intervene in real time. Analyzing millisecond-scale data for the world's largest and most powerful techno-social system, the global financial market, we uncover an abrupt transition to a new all-machine phase characterized by large numbers of subsecond extreme events. The proliferation of these subsecond events shows an intriguing correlation with the onset of the system-wide financial collapse in 2008. Our findings are consistent with an emerging ecology of competitive machines featuring ‘crowds' of predatory algorithms, and highlight the need for a new scientific theory of subsecond financial phenomena.
- Published
- 2013
17. Extreme alien light allows survival of terrestrial bacteria
- Author
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Hong Qi, Guannan Zhao, Pedro D. Manrique, Luis Quiroga, Ferney Rodriguez, Neil F. Johnson, and Felipe Caycedo
- Subjects
Photons ,Multidisciplinary ,Photon ,Bacteria ,Extraterrestrial Environment ,Light ,Ecology ,Biology ,Photosynthesis ,Ray ,Models, Biological ,Article ,Astrobiology ,Coupling (computer programming) ,Planet ,Extraterrestrial life ,Extreme value theory - Abstract
Photosynthetic organisms provide a crucial coupling between the Sun's energy and metabolic processes supporting life on Earth. Searches for extraterrestrial life focus on seeking planets with similar incident light intensities and environments. However the impact of abnormal photon arrival times has not been considered. Here we present the counterintuitive result that broad classes of extreme alien light could support terrestrial bacterial life whereas sources more similar to our Sun might not. Our detailed microscopic model uses state-of-the-art empirical inputs including Atomic Force Microscopy (AFM) images. It predicts a highly nonlinear survivability for the basic lifeform Rsp. Photometricum whereby toxic photon feeds get converted into a benign metabolic energy supply by an interplay between the membrane's spatial structure and temporal excitation processes. More generally, our work suggests a new handle for manipulating terrestrial photosynthesis using currently-available extreme value statistics photon sources.
- Published
- 2013
18. Simple mathematical law benchmarks human confrontations.
- Author
-
Johnson, Neil F., Medina, Pablo, Zhao, Guannan, Messinger, Daniel S., Horgan, John, Gill, Paul, Bohorquez, Juan Camilo, Mattson, Whitney, Gangi, Devon, Hong Qi, Manrique, Pedro, Velasquez, Nicolas, Morgenstern, Ana, Restrepo, Elvira, Johnson, Nicholas, Spagat, Michael, and Zarama, Roberto
- Subjects
SOCIAL problems ,MATHEMATICAL analysis ,BENCHMARKING (Management) ,SOCIAL unrest ,MAXIMUM likelihood statistics ,DISTRIBUTION (Probability theory) - Abstract
Many high-profile societal problems involve an individual or group repeatedly attacking another - from child-parent disputes, sexual violence against women, civil unrest, violent conflicts and acts of terror, to current cyber-attacks on national infrastructure and ultrafast cyber-trades attacking stockholders. There is an urgent need to quantify the likely severity and timing of such future acts, shed light on likely perpetrators, and identify intervention strategies. Here we present a combined analysis of multiple datasets across all these domains which account for>100,000 events, and show that a simple mathematical law can benchmark them all. We derive this benchmark and interpret it, using a minimal mechanistic model grounded by state-of-the-art fieldwork. Our findings provide quantitative predictions concerning future attacks; a tool to help detect common perpetrators and abnormal behaviors; insight into the trajectory of a 'lone wolf'; identification of a critical threshold for spreading a message or idea among perpetrators; an intervention strategy to erode the most lethal clusters; and more broadly, a quantitative starting point for cross-disciplinary theorizing about human aggression at the individual and group level, in both real and online worlds. [ABSTRACT FROM AUTHOR]
- Published
- 2013
- Full Text
- View/download PDF
19. Extreme alien light allows survival of terrestrial bacteria.
- Author
-
Johnson, Neil, Zhao, Guannan, Caycedo, Felipe, Manrique, Pedro, Hong Qi, Rodriguez, Ferney, and Quiroga, Luis
- Subjects
BACTERIA ,FUNGUS-bacterium relationships ,EXTRATERRESTRIAL life ,FARM supplies ,PHOTOBIOLOGY ,GASES from plants - Abstract
Photosynthetic organisms provide a crucial coupling between the Sun's energy and metabolic processes supporting life on Earth. Searches for extraterrestrial life focus on seeking planets with similar incident light intensities and environments. However the impact of abnormal photon arrival times has not been considered. Here we present the counterintuitive result that broad classes of extreme alien light could support terrestrial bacterial life whereas sources more similar to our Sun might not. Our detailed microscopic model uses state-of-the-art empirical inputs including Atomic Force Microscopy (AFM) images. It predicts a highly nonlinear survivability for the basic lifeform Rsp. Photometricum whereby toxic photon feeds get converted into a benign metabolic energy supply by an interplay between the membrane's spatial structure and temporal excitation processes. More generally, our work suggests a new handle for manipulating terrestrial photosynthesis using currently-available extreme value statistics photon sources. [ABSTRACT FROM AUTHOR]
- Published
- 2013
- Full Text
- View/download PDF
20. KRAS K104 modification affects the KRASG12D-GEF interaction and mediates cell growth and motility.
- Author
-
Chen, Chih-Chieh, Hsu, Chia-Yi, Lin, Hsiao-Yun, Zeng, Hong-Qi, Cheng, Kuang-Hung, Wu, Chia-Wei, Tsai, Eing-Mei, and Hsieh, Tsung-Hua
- Subjects
CELL growth ,CELL motility ,CELL migration ,CANCER cells ,NUCLEOTIDE exchange factors - Abstract
Mutant RAS genes play an important role in regulating tumors through lysine residue 104 to impair GEF-induced nucleotide exchange, but the regulatory role of KRAS K104 modification on the KRAS
G12D mutant remains unclear. Therefore, we simulated the acetylation site on the KRASG12D three-dimensional protein structure, including KRASG12D , KRASG12D/K104A and KRASG12D/K104Q , and determined their trajectories and binding free energy with GEF. KRASG12D/K104Q induced structural changes in the α2- and α3-helices, promoted KRAS instability and hampered GEF binding (ΔΔG = 6.14 kJ/mol). We found decreased binding to the Raf1 RBD by KRASG12D/K104Q and reduced cell growth, invasion and migration. Based on whole-genome cDNA microarray analysis, KRASG12D/K104Q decreased expression of NPIPA2, DUSP1 and IL6 in lung and ovarian cancer cells. This study reports computational and experimental analyses of Lys104 of KRASG12D and GEF, and the findings provide a target for exploration for future treatment. [ABSTRACT FROM AUTHOR]- Published
- 2020
- Full Text
- View/download PDF
21. Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2.
- Author
-
Hong, Qi-Jun, Ushakov, Sergey V., Kapush, Denys, Benmore, Chris J., Weber, Richard J. K., van de Walle, Axel, and Navrotsky, Alexandra
- Abstract
Structure and thermodynamics of pure cubic ZrO2 and HfO2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 °C) to their melting points (2710 and 2800 °C). Computations were performed using automated ab initio molecular dynamics techniques. High temperature synchrotron X-ray diffraction on laser heated aerodynamically levitated samples provided experimental data on volume change during tetragonal-to-cubic phase transformation (0.55 ± 0.09% for ZrO2 and 0.87 ± 0.08% for HfO2), density and thermal expansion. Fusion enthalpies were measured using drop and catch calorimetry on laser heated levitated samples as 55 ± 7 kJ/mol for ZrO2 and 61 ± 10 kJ/mol for HfO2, compared with 54 ± 2 and 52 ± 2 kJ/mol from computation. Volumetric thermal expansion for cubic ZrO2 and HfO2 are similar and reach (4 ± 1)·10−5/K from experiment and (5 ± 1)·10−5/K from computation. An agreement with experiment renders confidence in values obtained exclusively from computation: namely heat capacity of cubic HfO2 and ZrO2, volume change on melting, and thermal expansion of the liquid to 3127 °C. Computed oxygen diffusion coefficients indicate that above 2400 °C pure ZrO2 is an excellent oxygen conductor, perhaps even better than YSZ. [ABSTRACT FROM AUTHOR]
- Published
- 2018
- Full Text
- View/download PDF
22. Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2.
- Author
-
Hong, Qi-Jun, Ushakov, Sergey V., Kapush, Denys, Benmore, Chris J., Weber, Richard J. K., van de Walle, Axel, and Navrotsky, Alexandra
- Abstract
Structure and thermodynamics of pure cubic ZrO
2 and HfO2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 °C) to their melting points (2710 and 2800 °C). Computations were performed using automated ab initio molecular dynamics techniques. High temperature synchrotron X-ray diffraction on laser heated aerodynamically levitated samples provided experimental data on volume change during tetragonal-to-cubic phase transformation (0.55 ± 0.09% for ZrO2 and 0.87 ± 0.08% for HfO2 ), density and thermal expansion. Fusion enthalpies were measured using drop and catch calorimetry on laser heated levitated samples as 55 ± 7 kJ/mol for ZrO2 and 61 ± 10 kJ/mol for HfO2 , compared with 54 ± 2 and 52 ± 2 kJ/mol from computation. Volumetric thermal expansion for cubic ZrO2 and HfO2 are similar and reach (4 ± 1)·10−5 /K from experiment and (5 ± 1)·10−5 /K from computation. An agreement with experiment renders confidence in values obtained exclusively from computation: namely heat capacity of cubic HfO2 and ZrO2 , volume change on melting, and thermal expansion of the liquid to 3127 °C. Computed oxygen diffusion coefficients indicate that above 2400 °C pure ZrO2 is an excellent oxygen conductor, perhaps even better than YSZ. [ABSTRACT FROM AUTHOR]- Published
- 2018
- Full Text
- View/download PDF
23. Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO 2 and HfO 2 .
- Author
-
Hong QJ, Ushakov SV, Kapush D, Benmore CJ, Weber RJK, van de Walle A, and Navrotsky A
- Abstract
Structure and thermodynamics of pure cubic ZrO
2 and HfO2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 °C) to their melting points (2710 and 2800 °C). Computations were performed using automated ab initio molecular dynamics techniques. High temperature synchrotron X-ray diffraction on laser heated aerodynamically levitated samples provided experimental data on volume change during tetragonal-to-cubic phase transformation (0.55 ± 0.09% for ZrO2 and 0.87 ± 0.08% for HfO2 ), density and thermal expansion. Fusion enthalpies were measured using drop and catch calorimetry on laser heated levitated samples as 55 ± 7 kJ/mol for ZrO2 and 61 ± 10 kJ/mol for HfO2 , compared with 54 ± 2 and 52 ± 2 kJ/mol from computation. Volumetric thermal expansion for cubic ZrO2 and HfO2 are similar and reach (4 ± 1)·10-5 /K from experiment and (5 ± 1)·10-5 /K from computation. An agreement with experiment renders confidence in values obtained exclusively from computation: namely heat capacity of cubic HfO2 and ZrO2 , volume change on melting, and thermal expansion of the liquid to 3127 °C. Computed oxygen diffusion coefficients indicate that above 2400 °C pure ZrO2 is an excellent oxygen conductor, perhaps even better than YSZ.- Published
- 2018
- Full Text
- View/download PDF
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