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Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes

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npj Computational Materials 2022年第1期8卷 403-414页

作者： Soumil Y.Joshi Samrendra Singh Sanket A.Deshmukh Department of Chemical Engineering Virginia TechBlacksburgVA24061USA

Quantification of shape changes in nature-inspired soft material architectures of stimuli-sensitive polymers is critical for controlling their properties but is challenging due to their softness and ***,we have computationally designed uniquely shaped bottlebrushes of a thermosensitive polymer,poly(N-isopropylacrylamide)(PNIPAM),by controlling the length of side chains along the ***-grained molecular dynamics simulations of solvated bottlebrushes were performed below and above the lower critical solution temperature of *** analyses(free volume,asphericity,etc.)show that lengths of side chains and their immediate environments dictate the compactness and bending in these *** further developed 100 unique convolutional neural network models that captured molecular-level features and generated a statistically significant quantification of the similarity between different ***,our study provides insights into the shapes of complex architectures as well as a general method to analyze *** shapes presented here may inspire the synthesis of new bottlebrushes.

关键词： convolution chains dynamics

Generation of nanomaterials by reactive laser-synthesis in liquid

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Science China(Physics,Mechanics & Astronomy) 2022年第7期65卷 3-47页

作者： Laysa M.Frias Batista Ashish Nag Victoria K.Meader Katharine Moore Tibbetts Department of Chemistry Virginia Commonwealth UniversityRichmond VA 23284USA

Nanomaterials with tailored structures and surface chemistry are in high demand, as these materials play increasingly important roles in biology, catalysis, energy storage, and manufacturing. Their heightened demand has attracted attention towards the development of synthesis routes, particularly, laser-synthesis techniques. These efforts drove the refinement of laser ablation in liquid(LAL) and related methods over the past two decades and have led to the emergence of reactive laser-synthesis techniques that exploit these methods’ characteristic, non-equilibrium conditions. Reactive laser-synthesis approaches foster unique chemical reactions that enable the formation of composite products like multimetallic nanoparticles, supported nanostructures, and complex minerals. This review will examine emerging reactive laser-synthesis methods in the context of established methods like *** focus will be on the chemical reactions initiated within the laser plasma, with the goal of understanding how these reactions lead to the formation of unique nanomaterials. We will provide the first systematic review of laser reaction in liquid(LRL) in the literature, and bring a focus to the chemical reaction mechanisms in LAL and reactive-LAL techniques that have not yet been emphasized in reviews. Discussion of the current challenges and future investigative opportunities into reactive laser-synthesis will impart guidance for researchers interested in designing reactive laser-synthesis approaches to novel nanomaterial production.

关键词： laser ablation in liquids laser reduction in liquids nanoparticles

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Scalable nanolaminated SERS multiwell cell culture assay

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Microsystems & Nanoengineering 2020年第1期6卷 916-926页

作者： Xiang Ren Wonil Nam Parham Ghassemi Jeannine S.Strobl Inyoung Kim Wei Zhou Masoud Agah Bradley Department of Electrical and Computer Engineering Virginia TechBlacksburgVA 24061USA Department of Statistics Virginia TechBlacksburgVA 24061USA

This paper presents a new cell culture platform enabling label-free surface-enhanced Raman spectroscopy(SERS)analysis of biological *** platform integrates a multilayered metal-insulator-metal nanolaminated SERS substrate and polydimethylsiloxane(PDMS)multiwells for the simultaneous analysis of cultured *** cell lines,including breast normal and cancer cells and prostate cancer cells,were used to validate the applicability of this unique *** cell lines were cultured in different *** Raman spectra of over 100 cells from each cell line were collected and analyzed after 12h of introducing the cells to the *** unique Raman spectra of each cell line yielded biomarkers for identifying cancerous and normal cells.A kernel-based machine learning algorithm was used to extract the high-dimensional variables from the Raman ***,the nonnegative garrote on a kernel machine classifier is a hybrid approach with a mixed nonparametric model that considers the nonlinear relationships between the higher-dimension *** breast cancer cell lines and normal breast epithelial cells were distinguished with an accuracy close to 90%.The prediction rate between breast cancer cells and prostate cancer cells reached 94%.Four blind test groups were used to evaluate the prediction power of the SERS *** peak intensities at the selected Raman shifts of the testing groups were selected and compared with the training groups used in the machine learning *** blind testing groups were correctly predicted 100% of the time,demonstrating the applicability of the multiwell SERS array for analyzing cell populations for cancer research.

关键词： laminated culture prediction

A channel state information based virtual MAC spoofing detector

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High-Confidence Computing 2022年第3期2卷 1-6页

作者： Peng Jiang Hongyi Wu Chunsheng Xin Department of ECE Old Dominion UniversityNorfolkVAUSA School of Cybersecurity Old Dominion UniversityNorfolkVAUSA

Physical layer security has attracted lots of attention with the expansion of wireless devices to the edge networks in recent *** to limited authentication mechanisms,MAC spoofing attack,also known as the identity attack,threatens wireless *** this paper,we study a new type of MAC spoofing attack,the virtual MAC spoofing attack,in a tight environment with strong spatial similarities,which can create multiple counterfeits entities powered by the virtualization technologies to interrupt regular *** develop a system to effectively detect such virtual MAC spoofing attacks via the deep learning method as a countermeasure.A deep convolutional neural network is constructed to analyze signal level information extracted from Channel State Information(CSI)between the communication peers to provide additional authentication protection at the physical layer.A significant merit of the proposed detection system is that this system can distinguish two different devices even at the same location,which was not well addressed by the existing *** extensive experimental results demonstrate the effectiveness of the system with an average detection accuracy of 95%,even when devices are co-located.

关键词： Virtual Mac spoofing Channel state information Deep learning

Determination of Parameters of Time-delayed Embedding Algorithm Using Koopman Operator-based Model Predictive Frequency Control

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CSEE Journal of Power and Energy Systems 2021年第6期7卷 1140-1151页

作者： Xiawen Li Chetan Mishra Shichao Chen Yajun Wang Jaime De La Ree Dominion Energy RichmondVAUSA Thorlabs Quantum Electronics. JessupMDUSA Department of Electrical and Computer Engineering Virginia Polytechnic Institute and State UniversityBlacksburgVAUSA

Power systems around the world have been registering a degenerating inertial response in view of the growth of inverter-based resources along with the withdrawal of conventional coal ***,there is a need for swift frequency support and its control,preferably by means of power electronic-interfaced storage devices,owing to their beneficial *** being particularly efficient,pragmatically,the traditional model-based non-linear control techniques are not highly popular in power system control design,primarily due to the complications faced in obtaining accurately suitable models for certain power system ***,the modelfree Koopman operator-based model predictive control(KMPC)has proven to be highly conducive for data-driven non-linear control *** principle behind KMPC is to change the coordinates in a manner to get an approximately linear model,which can then be controlled using a linear model predictive *** this study,we employed time-delayed embedding of measurements to reconstruct a new set of preferable coordinates,thereby suggesting an approach for finding the optimal number of time lags and the embedding dimensions which are the key parameters of this *** efficacy of this KMPC framework is established by adopting a decentralized frequency control problem through a decoupled synchronous machine system,which we proposed for both the Kundur two-area system as well as the IEEE 39-bus test system.

关键词： False nearest neighbors koopman operator model predictive control non-linear control time-delayed embedding

Effectiveness of two different acupuncture strategies in patients with vulvodynia Study protocol for a pilot pragmatic controlled trial

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Journal of Integrative Medicine 2018年第6期16卷 384-389页

作者： Arthur Yin Fan Sarah F.Alemi Yingping H.Zhu Sudaba Rahimi Hui Wei Haihe Tian Deguang He Changzhen Gong Guanhu Yang Chong He Hui Ouyang American Traditional Chinese Medicine Association ViennaVA 22182USA McLean Center for Complementary and Alternative Medicine PLC.ViennaVA 22182USA

Background： Vulvodynia, or vulvar pain, is a common condition in women; however, there are few evidence-based clinical trials evaluating nonpharmacological therapies for this condition. Acupuncture is one complementary and integrative medicine therapy used by some patients with vulvodynia. This study evaluates two different acupuncture strategies for the treatment of vulvodynia and aims to evalu- ate whether either of the acupuncture protocols reduces vulvar pain, pain duration or pain with inter- course. The study also examines how long the effect of acupuncture lasts in women with vulvodynia. Methods/design： The study is designed as a randomized controlled trial, focused on two acupuncture protocols. Fifty-one patients who have had vulvodynia for more than 3 months will be recruited. Among them, 34 patients will be randomized into Groups la and 1b; those who are unwilling to receive acupuncture will be recruited into the standard care group （Group 2）. Patients in Group la will have acupuncture focused on the points in the pudendal nerve distribution area, while patients in Group lb will receive acupuncture focused on traditional （distal） meridian points. Patients in Group 2 will receive routine conventional treatments, such as using pain medications, local injections and physical therapies or other nonsurgical procedures. Acupuncture will last 45 min per session, once or twice a week for 6 weeks. The primary outcome measurement will be objective pain intensity, using the cotton swab test. The secondary outcome measurement will be subjective patient self-reported pain intensity, which will be conducted before cotton swab test. Pain intensities will be measured by an 11-point Numeric Pain Rating Scale. Pain duration and pain score during intercourse are recorded. Local muscle tension, tender- ness and trigger points （Ashi points） are also recorded. All measurements will be recorded at baseline （before the treatment）, at the end of each week during treatment and at t

关键词： Acupuncture Vulvodynia Meridian points Pudendal nerve Study protocol

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Clinical outcomes of celiac artery coverage with vs. without revascularization in thoracic endovascular aortic repair

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中华医学杂志(英文版) 2024年第14期137卷 1750-1752页

作者： Xie Xinsheng Zhang Wei Fu Weiguo Zhang Wayne W. Wang Lixin Department of vascular Surgery Xiamen Branch Zhongshan Hospital Fudan University Xiamen Fujian China Department of vascular Surgery Zhongshan Hospital Fudan University Shanghai China Department of Plastic surgery Plastic Surgery Hospital Peking Union Medical College Beijing China Department of Division of vascular and Endovascular Surgery Seattle VA Medical Center University of Washington Seattle WA USA

To the Editor: Thoracic endovascular aortic repair (TEvaR) has been widely accepted as the first-line treatment when aortic repair is indicated. However, TEvaR is still limited by anatomic conditions in many circumstances, and the most common exclusion situations are inadequate proximal and/or distal landing zones when important branch vessels are involved. The incidence of insufficient distal landing zone in descending TEvaR ranges from 2.5% to 15.2%, and different approaches to extend it were described. Hybrid surgery with combined TEvaR and open revascularization of visceral vessels has been employed from the early stage of endovascular aortic repair but it is associated with poor outcomes. Endovascular visceral artery revascularization, such as branched and fenestrated endograft, has been used more recently. Outcomes of stenting visceral arteries during fenestrated/branched aortic repair were explored by several studies and promising results were exhibited. However, these techniques demand heavily on available device and technical skills. Currently, there is no Food and Drug Administration (FDA)-approved branched TEvaR endograft for visceral artery preservation. Chimney or snorkel procedures are relatively easier to perform, but it is associated with a higher incidence of endoleaks.

关键词： ANEURYSM TRUNK TEvaR

Sphingosine-1-phosphate signaling and the gut-liver axis in liver diseases

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Liver Research 2019年第1期3卷 19-24页

作者： Eric K.Kwong Huiping Zhou Department of Microbiology and Immunology Virginia Commonwealth UniversityRichmondVAUSA McGuire va Medical Center RichmondVAUSA

The liver is the central organ involved in lipid metabolism and the gastrointestinal(GI)tract is responsible for nutrient absorption and ***,dyslipidemia and metabolic disorders are of increasing public health concern worldwide,and novel therapeutics that target both the liver and the GI tract(gut-liver axis)are much *** addition to aiding fat digestion,bile acids act as important signaling molecules that regulate lipid,glucose and energy metabolism via activating nuclear receptor,G protein-coupled receptors(GPCRs),Takeda G protein receptor 5(TGR5)and sphingosine-1-phosphate receptor 2(S1PR2).Sphingosine-1-phosphate(S1P)is synthesized by two sphingosine kinase isoforms and is a potent signaling molecule that plays a critical role in various diseases such as fatty liver,in-flammatory bowel disease(IBD)and colorectal *** this review,we will focus on recent findings related to the role of S1P-mediated signaling pathways in the gut-liver axis.

关键词： Sphingosine-1-phosphate(S1P) Sphingosine kinase 2(SphK2) Sphingosine-1-phosphate receptor 2 (S1PR2) Gut-liver axis Liver diseases

Transdisciplinary Convergence:Intelligent Infrastructure for Sustainable Development

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Data Intelligence 2021年第2期3卷 261-273页

作者： Yi Shen Virginia Tech BlacksburgVA 24061USA

The fast-developing intelligent infrastructure landscape catalyzes transformative new relationships of human,technology,and environment and requires new socio-technical configurations of information practice and knowledge *** a focus on data as the source of intelligence,this paper aims to explore the shifting scenarios and indicative features of data science solutions for intelligent system applications and identify the evolving knowledge spaces and integrative learning practices in the“smart”*** projects and discusses the democratization of data science platforms,the distribution of data intelligence on the edge,and the transition from vertical to horizontal data solutions in solving intelligent system *** mapping the changing data research landscape,this work further reveals essential new roles of knowledge architects and social engineers in enabling dynamic data linking,interaction,and exploration for transdisciplinary data convergence.

关键词： Intelligent infrastructure Data intelligence and decision sciences Convergent research Integrative learning Transdisciplinary practice Information work

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