A molecular dynamics study of the ionic liquid, choline acetate

Willcox, Jon A. L.,Kim, Hyunjin,Kim, Hyung J. The Royal Society of Chemistry 2016 Physical chemistry chemical physics Vol.18 No.22

<P>Structural and dynamic properties of the ionic liquid (IL) choline acetate are studied using molecular dynamics (MD) simulations. The hydroxyl group of choline shows significant hydrogen-bonding interactions with the oxygen atoms of acetate. Nearly all choline cations are found to form a hydrogen bond with acetate anions at 400 K, while about 67% of cations participate in hydrogen-bonding interactions at 600 K. At 400 K, subdiffusive and prominent non-Gaussian behavior persist for t > 10 ns. At 600 K, the usual diffusion regime is obtained after a few hundred ps of subdiffusive behavior. Analysis of reorientational motions of acetate ions, particularly those of their short axes, indicates a high degree of dynamic heterogeneity, in agreement with previous work on different IL systems.</P>

Molecular Dynamics Study of Water Flow Across Multiple Layers of Pristine, Oxidized, and Mixed Regions of Graphene Oxide: Effect of Graphene Oxide Layer-to-Layer Distance

Willcox, Jon A. L.,Kim, Hyung J. American Chemical Society 2017 The Journal of Physical Chemistry Part C Vol.121 No.42

<P>Recent studies revealing exceptionally rapid water flow across graphene oxide membranes have highlighted them for potential filtration and separation applications. The physical and chemical features in graphene oxide membranes are heterogeneous, and there remains a great deal of speculation as to what is responsible for the facile water percolation. One potential contributing feature is the variation of interlayer spacing, which can occur naturally or be artificially induced. Herein, water flow across pristine, oxidized, and mixed membranes with interlayer distances of 0.7, 0.9, and 1.2 nm, corresponding respectively to the formation of discrete mono-, bi-, and trilayer water structures, was studied via molecular dynamics simulations. The interlayer spacing of 0.7 nm results in the formation of square ice for the pristine graphene membrane, which leads to collective motion, inhibiting equilibrium transport but allowing for rapid nonequilibrium flow comparable to that in the membranes with larger interlayer distances. A four-point time correlation function analysis of water structural relaxation reveals that collective water motions are responsible for rapid nonequilibrium flow for the interlayer spacing of 0.7 nm. Meanwhile, the central water layers formed in an interlayer spacing of 1.2 nm lead to almost entirely decoupled structure and dynamics between outer water layers.</P>

Molecular Dynamics Study of Water Flow across Multiple Layers of Pristine, Oxidized, and Mixed Regions of Graphene Oxide

Willcox, Jon A. L.,Kim, Hyung J. American Chemical Society 2017 ACS NANO Vol.11 No.2

<P>A molecular dynamics graphene oxide model is used to shed light on commonly overlooked features of graphene oxide membranes. The model features both perpendicular and parallel water flow across multiple sheets of pristine and/or oxidized graphene to simulate 'brick-and-mortar' microstructures. Additionally, regions of pristine/oxidized graphene overlap that have thus far been overlooked in the literature are explored. Differences in orientational and hydrogen-bonding features between adjacent layers of water in this mixed region are found to be even more prominent than differences between pristine and oxidized channels. This region also shows lateral water flow in equilibrium simulations and orthogonal flow in non-equilibrium simulations significantly greater than those in the oxidized region, suggesting it may play a non-negligible role in the mechanism of water flow across graphene oxide membranes.</P>

WEAVING

Willcox, Donald J. 이화여자대학교 미술대학 장식미술학과 1979 裝美 Vol.- No.3

너무나도 긴 세월 동안 사회는 직조형식을 명령해 왔다. 즉 직조가에게 그들의 창의성을 어떻게 사용하여 무엇을 창조해 내어야 하는가를 가르쳐 왔다. 사실 직조가는 베틀의 주인이었다기 보다는 차라리 그것의 노예였으며 최근까지도 낱낱으로된 완전한 안전 구조를 짜내도록 강요받고 있다. 그중 운이 좋은 사람은 귀족의 벽의 장식품이나 목사의 벽융단을 짤 기회를 가졌을 것이다. 그리하여 그는 모든 창의력을 실로서 그림을 그리는 벽화 직조에 쏟게 된다. 그래서는 곧 지쳐 버리게 되어 그의 재주의 가능성을 탐구하기를 주저하게 된다. 그러나 이제는 직조도 자라나기 시작했다. 직조가는 이제 다리를 쭉 뻗었다. 이제 그 시대가 온 것이다. 지난 15년간 그들은 서서히 전통의 벽을 깨고 자유로와지기 시작했다. 그들은 신중히 무늬기술, 색깔, 재료 심지어는 그 효용까지에 대한 세칭 법칙에 도전을 하고 있다. 이와 같은 대담한 직조가들은 장벽을 뛰어넘어서 이젠 완전히 조각의 형태로 깊게 빠져들었다. 그리하여 전통적이 아닌 색깔의 병렬배치와 끊임없는 새로운 실험적인 재료의 조합을 실현하고 있다.

Heterogeneous dynamics of ionic liquids: A four-point time correlation function approach

Liu, Jiannan,Willcox, Jon A. L.,Kim, Hyung J. American Institute of Physics 2018 The Journal of chemical physics Vol.148 No.19

Association of Polymorphisms in Connective Tissue Growth Factor and Epidermal Growth Factor Receptor Genes With Human Longevity

Donlon, T. A.,Morris, B. J.,He, Q.,Chen, R.,Masaki, K. H.,Allsopp, R. C.,Willcox, D. C.,Tranah, G. J.,Parimi, N.,Evans, D. S. Oxford University Press 2017 Journals of Gerontology. Series A Vol.72 No.8

Coronary Artery Calcification in Japanese Men in Japan and Hawaii

Abbott, R. D.,Ueshima, H.,Rodriguez, B. L.,Kadowaki, T.,Masaki, K. H.,Willcox, B. J.,Sekikawa, A.,Kuller, L. H.,Edmundowicz, D.,Shin, C. Oxford University Press 2007 American Journal of Epidemiology Vol.166 No.11

Traditional Chinese medicine for COVID-19 pandemic and emerging challenges: An online cross-sectional survey in China

Chun-Li Lu,Ruo-Xiang Zheng,Xue Xue,Xiao-Wen Zhang,Xue-Han Liu,Xin-Yan Jin,Feng-Lan Pu,Hui-Di Lan,Min Fang,Ling-Yao Kong,Merlin Willcox,Bertrand Graz,Joelle Houriet,Xiao-Yang Hu,Jian-ping Liu 한국한의학연구원 2021 Integrative Medicine Research Vol.10 No.-

Background We aimed to investigate use of infection control behaviours, preventative and therapeutic interventions, and outcomes among respondents to an online survey during the COVID-19 pandemic in China. Methods The survey was designed by an international team, translated and adapted to simplified Chinese, including 132 kinds of traditional Chinese medicine (TCM) preparation recommended by guidelines. It was distributed and collected from February to May 2021, with data analysed by WPS spreadsheet and wjx.cn. Descriptive statistics were used to describe demographics and clinical characteristics, diagnosis, treatments, preventative behaviours and interventions, and their associated outcomes. Results The survey was accessed 503 times with 341 (67.8%) completions covering 23 provinces and four municipalities in China. Most (282/341, 82.7%) respondents reported no symptoms during the pandemic and the majority (290/341, 85.0%) reported having a SARS-CoV-2 PCR test at some point. Forty-five (13.2%) reported having a respiratory infection, among which 19 (42.2%) took one or more categories of modern medicine, e.g. painkillers, antibiotics; 16 (35.6%) used TCM interventions(s); while seven respondents combined TCM with modern medicine. All respondents reported using at least one behavioural or medical approach to prevention, with 22.3% taking TCM and 5.3% taking modern medicines. No respondents reported having a critical condition related to COVID-19. Conclusion We found evidence of widespread use of infection control behaviours, modern medicines and TCM for treatment and prevention of COVID-19 and other respiratory symptoms. Larger scale studies are warranted, including a more representative sample exploring TCM preparations recommended in clinical guidelines. Background We aimed to investigate use of infection control behaviours, preventative and therapeutic interventions, and outcomes among respondents to an online survey during the COVID-19 pandemic in China. Methods The survey was designed by an international team, translated and adapted to simplified Chinese, including 132 kinds of traditional Chinese medicine (TCM) preparation recommended by guidelines. It was distributed and collected from February to May 2021, with data analysed by WPS spreadsheet and wjx.cn. Descriptive statistics were used to describe demographics and clinical characteristics, diagnosis, treatments, preventative behaviours and interventions, and their associated outcomes. Results The survey was accessed 503 times with 341 (67.8%) completions covering 23 provinces and four municipalities in China. Most (282/341, 82.7%) respondents reported no symptoms during the pandemic and the majority (290/341, 85.0%) reported having a SARS-CoV-2 PCR test at some point. Forty-five (13.2%) reported having a respiratory infection, among which 19 (42.2%) took one or more categories of modern medicine, e.g. painkillers, antibiotics; 16 (35.6%) used TCM interventions(s); while seven respondents combined TCM with modern medicine. All respondents reported using at least one behavioural or medical approach to prevention, with 22.3% taking TCM and 5.3% taking modern medicines. No respondents reported having a critical condition related to COVID-19. Conclusion We found evidence of widespread use of infection control behaviours, modern medicines and TCM for treatment and prevention of COVID-19 and other respiratory symptoms. Larger scale studies are warranted, including a more representative sample exploring TCM preparations recommended in clinical guidelines.

Home ranges and activity patterns of Sunda pangolins Manis javanica (Pholidota: Manidae) in Vietnam

Russell J. Gray,Dung Van Le,Huyen Thi Thanh Nguyen,Long Nhat Cau,Tan Van Nguyen,Thong Van Pham,Daniel Willcox,Tiffany Chen,Thai Van Nguyen 국립중앙과학관 2023 Journal of Asia-Pacific Biodiversity Vol.16 No.3

This study provides an update on the movement ecology of the Sunda pangolin (Manis javanica) in threedistinct ecoregions of Vietnam. Using radio telemetry, we tracked 12 pangolins rescued from the illegalwildlife trade and translocated to protected areas. We found that the average home range of translocatedSunda pangolins was 1.58 km2 and did not vary significantly between sexes, mass, or habitat. However,there was a marked decrease in range size with decreasing sizes of suitable forest space and terrain, or alocalized abundance of resources in some locations. Pangolins were most active from 03:00 to 04:00. Thestudy highlights the need for further research to fully understand the ecology of this unique and enig matic species.

Characteristics of registered studies for Coronavirus disease 2019 (COVID-19): a systematic review

Ming Yang,Ya-xi Shang,Zi-yu Tian,Min Xiong,Chun-li Lu,Jiang Yue,Zhang Yao,Zhang Ying-ying,Jin Xin-yan,Jin Qiu-bai,Zhang Ying-ying,Willcox Merlin L.,Liu Jian-ping 한국한의학연구원 2020 Integrative Medicine Research Vol.9 No.3

Background: The World Health Organization characterized the Coronavirus disease 2019 (COVID-19) as a pandemic on March 11th. Many clinical trials on COVID-19 have been registered, and we aim to review the study characteristics and provide guidance for future trials to avoid duplicated effort. Methods: Studies on COVID-19 registered before March 3rd, 2020 on eight registry platforms worldwide were searched and the data of design, participants, interventions, and outcomes were extracted and analyzed. Results: Three hundred and ninety-three studies were identified and 380 (96.7%) were from mainland China, while 3 in Japan, 3 in France, 2 in the US, and 3 were international collaborative studies. Two hundred and sixty-six (67.7%) aimed at therapeutic effect, others were for prevention, diagnosis, prognosis, etc. Two hundred and two studies (51.4%) were randomized controlled trials. Two third of therapeutic studies tested Western medicines including antiviral drugs (17.7%), stem cell and cord blood therapy (10.2%), chloroquine and derivatives (8.3%), 16 (6.0%) on Chinese medicines, and 73 (27.4%) on integrated therapy of Western and Chinese medicines. Thirty-one studies among 266 therapeutic studies (11.7%) used mortality as primary outcome, while the most designed secondary outcomes were symptoms and signs (47.0%). Half of the studies (45.5%) had not started recruiting till March 3rd. Conclusion: Inappropriate outcome setting, delayed recruitment and insufficient numbers of new cases in China implied many studies may fail to complete. Strategies and protocols of the studies with robust and rapid data sharing are warranted for emergency public health events, helping the timely evidence-based decision-making.