cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Diffusion in randomly perturbed dissipative dynamics
Creators: name: Rodrigues, Christian S.
name: Chechkin, Aleksei V.
name: de Moura, Alessandro P. S.
name: Grebogi, Celso
name: Klages, Rainer
Publisher: name: arXiv
Year: 2014
Subjects: subject: Chaotic Dynamics (nlin.CD)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Mathematical Physics (math-ph)
subject: Data Analysis, Statistics and Probability (physics.data-an)
subject: FOS: Physical sciences

description: Dynamical systems having many coexisting attractors present interesting properties from both fundamental theoretical and modelling points of view. When such dynamics is under bounded random perturbations, the basins of attraction are no longer invariant and there is the possibility of transport among them. Here we introduce a basic theoretical setting which enables us to study this hopping process from the perspective of anomalous transport using the concept of a random dynamical system with holes. We apply it to a simple model by investigating the role of hyperbolicity for the transport among basins. We show numerically that our system exhibits non-Gaussian position distributions, power-law escape times, and subdiffusion. Our simulation results are reproduced consistently from stochastic Continuous Time Random Walk theory.
In silico drug repurposing and lipid bilayer molecular dynamics puzzled out potential breast cancer resistance protein (BCRP/ABCG2) inhibitors
Creators: name: Almansour, Nahlah Makki
name: Abdelrahman, Alaa H. M.
name: Fagiree, Ekram Ismail
name: Ibrahim, Mahmoud A. A.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer
subject: Hematology
subject: Computational Biology

description: Multidrug resistance (MDR) is a fundamental reason for the fiasco of carcinoma chemotherapy. A wide variety of anticarcinoma drugs are expelled from neoplasm cells through the ATP-binding cassette (ABC) transporter superfamily, rendering the neoplasm cells resistant to treatment. The ATP-binding cassette transporter G2 (ABCG2, gene symbol BCRP) is an ABC efflux transporter that plays a key function in MDR to antineoplastic therapies. For these reasons, the identification of medicaments as BCRP inhibitors could assist in discovering better curative approaches for breast cancer therapy. Because of the deficiency of prospective BCRP inhibitors, the SuperDRUG2 database was virtually screened for inhibitor activity towards the BCRP transporter using molecular docking computations. The most potent drug candidates were then characterized utilizing molecular dynamics (MD) simulations. Furthermore, molecular mechanics-generalized Born surface area (MM-GBSA) binding affinities of the most potent drug candidates were estimated. Based on the MM-GBSA binding affinities throughout 150 ns MD simulations, three drugs—namely zotarolimus (SD002595), temsirolimus (SD003393), and glecaprevir (SD006009)—revealed greater binding affinities towards BCRP transporter compared to the co-crystallized BWQ ligand with ΔGbinding values of –86.6 ± 5.6, –79.5 ± 8.0, –75.8 ± 4.6 and –59.5 ± 4.1 kcal/mol, respectively. The steadiness of these promising drugs bound with BCRP transporter was examined utilizing their structural and energetical analyses throughout a 150 ns MD simulation. To imitate the physiological environment, 150 ns MD simulations for the identified drugs bound with BCRP transporter were conducted in the 1-palmitoyl-2-oleoyl-phosphatidylcholine lipid bilayer. These findings identify zotarolimus, temsirolimus and glecaprevir as auspicious anti-MDR drug leads that warrant further experimental assays. Communicated by Ramaswamy H. Sarma
Development of an integrated mobile robot system at Carnegie Mellon University : June 1988 annual report
Creators: name: Shafer, Steven A.
name: Whittaker, William L.
Publisher: name: Figshare
Year: 2018
Subjects: subject: 80101 Adaptive Agents and Intelligent Robotics
subject: FOS: Computer and information sciences

description: Abstract: "This report describes progress in development of an integrated mobile robot system at the Carnegie Mellon Robotics Institute from July 1987 to June 1988. This research was sponsored by the Defense Advanced Research Projects Agency and monitored by the US Army Engineer Topographic Laboratories under contract DACA76-86-C-0019. Our program includes a broad agenda of research in the development of moble robot vehicles, focused on the NAVLAB computer-controlled van. In the year covered by this report, we addressed major issues in both hardware and software for autonomous mobile robots: [a] Evolution of the NAVLAB vehicle. We built the NAVLAB mobile robot vehicle in our previous work under this contract, by outfitting a commercial truck chassis with computer-controlled drive and steering controls and a set of on-board computer workstations.The NAVLAB serves as a mobile navigation laboratory that allows researchers to interact intensively with the system during testing and execution. This year has seen a continued evolution and improvement of the NAVLAB mechanism, sensors, controller, and Virtual Vehicle interface to higher-level planning and perception software. [b] Evolution of the CODGER Blackboard. Last year, as part of this research program, we designed and implemented the CODGER blackboard system for robot perception and reasoning on a distributed collection of processors. This year, in response to our experience in using CODGER for mobile robot control, we have upgraded it to deal with geometric models and uncertainty in perception and map data.[c] Experiments With the Driving Pipeline. To control the NAVLABand Terregator mobile robot vehicles, we developed the Driving Pipeline architecture last year for coordinating road following, obstacle avoidance, and vehicle motion control. In our ongoing research, we have performed numerous experiments with this system that demonstrate its value. This hardware and software is the basis for the New Generation System (NGS) for robot vision and navigation, which integrates many independent technologies to produce an integrated mobile robot system."
Additional file 6 of Is Postural Control Affected in People with Patellofemoral Pain and Should it be Part of Rehabilitation? A Systematic Review with Meta-analysis
Creators: name: Nunes, Guilherme S.
name: Rodrigues, Diênifer Zilmer
name: Hörbe, Luiza
name: Prates, Izabela
name: Tessarin, Bruna M.
name: Serrão, Fábio V.
name: de Noronha, Marcos
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Science Policy
subject: Mental Health

description: Additional file 6. Risk of bias assessment.
Coulomb driven energy boost of heavy ions for laser plasma acceleration
Creators: name: Braenzel, J.
name: Andreev, A. A.
name: Platonov, K.
name: Klingsporn, M.
name: Ehrentraut, L.
name: Sandner, W.
name: Schnürer, M.
Publisher: name: arXiv
Year: 2014
Subjects: subject: Plasma Physics (physics.plasm-ph)
subject: FOS: Physical sciences

description: An unprecedented increase of kinetic energy of laser accelerated heavy ions is demonstrated. Ultra thin gold foils have been irradiated by an ultra short laser pulse at an intensity of $6\times 10^{19}$ W/cm$^{2}$. Highly charged gold ions with kinetic energies up to $> 200$ MeV and a bandwidth limited energy distribution have been reached by using $1.3$ Joule laser energy on target. $1$D and $2$D Particle in Cell simulations show how a spatial dependence on the ions ionization leads to an enhancement of the accelerating electrical field. Our theoretical model considers a varying charge density along the target normal and is capable of explaining the energy boost of highly charged ions, leading to a higher efficiency in laser acceleration of heavy ions.
A comprehensive computational approach for the identification of structure-based potential pharmacological candidates as selective AKR1B1 and AKR1B10 inhibitors: repurposing of purine alkaloids for the treatment of cancer
Creators: name: Aziz, Mubashir
name: Ejaz, Syeda Abida
name: Tamam, Nissren
name: Siddique, Farhan
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: Significant metabolic pathways have been linked to AKR1B1 and AKR1B10. These enzymes are crucial biological targets in the therapy of colon cancer. In the past several decades, drug repurposing has gained appeal as a time and cost-efficient strategy for providing new indications for existing drugs. The structural properties of the plant-based alkaloidal drugs theobromine and theophylline were examined using density functional theory (DFT) computations, where the B3LYP/SVP method was used to quantify the dipole moment, polarizability, and optimization energy. Optimized structures obtained through DFT studies were docked inside the active pocket of target proteins to evaluate their inhibitory potential. Moreover, molecular dynamic simulation provides significant insight into a dynamic view of molecular interactions. The findings of current revealed theobromine and theophylline as strong AKR1B1 and AKR1B10 inhibitors, respectively. In addition, the anti-cancer potential of theophylline and theobromine was validated by targeting various tumor proteins, i.e. NF-κB, cellular tumor antigen P53 and caspase-3 using a molecular docking approach. Theobromine was found to be strongly interacted with NF-κB and caspase-3, whereas theophylline potentially inhibited cellular tumor antigen P53. In addition, the ADMET characteristics of theobromine and theophylline were identified, confirming their drug-like capabilities. These results should open the way for further experimental validation and structure-based drug design/repurposing of AKR1B1/AKR1B10 inhibitors for the treatment of colon cancer and associated malignancies. Communicated by Ramaswamy H. Sarma
EVALUASI SELUBUNG BANGUNAN DALAM MEMINIMALISIR HEAT TRANSFER VALUE PADA BANGUNAN MIXED USED
Creators: name: Rey Kevino
Publisher: name: figshare
Year: 2020
Subjects: subject: 120104 Architectural Science and Technology (incl. Acoustics, Lighting, Structure and Ecologically Sustainable Design)
subject: FOS: Civil engineering
subject: 120101 Architectural Design
subject: FOS: Arts (arts, history of arts, performing arts, music)

description: Bidang konstruksi pembangunan menjadi salah satu faktor penyumbang emisi karbon yang meningkatkan pemanasan global. Dimulai dari proses pembangunan hingga operasional bangunan saat berjalan, terus menyumbang emisi karbon. Ketika suhu semakin tinggi, heat building mass juga tinggi menyebabkan beban bangunan untuk mendinginkan ruangan menjadi berat. Beban biaya operasional yang besar dalam pengalokasian penggunaan energi seharusnya dapat ditekan lagi. Penerapan selubung bangunan façade pada bangunan memiliki beberapa kelebihan dan keuntungan. Pada kenyataannya, arsitek dalam mendesain selubung bangunan façade belum terintegrasi secara fungsional. Masih menitikberatkan pada aspek estetika saja. Saving energy building belum tercapai secara optimal dikarenakan desain yang tidak dapat merespon iklim dan building physic secara menyeluruh. Metode perhitungan energi yang digunakan adalah perhitungan OTTV. Berdasarkan perhitungan OTTV selubung bangunan dari berbagai arah memiliki nilai sebesar 45,3 W/m². Secara keseluruhan hasil perhitungan OTTV menunjukkan bahwa nilai berada di bawah standar yang ditetapkan yaitu ≤35 W/m², maka bangunan tersebut belum secara maksimal melakukan konservasi energi terutama energi listrik karena mengharuskan penggunaan alat pengkondisian udara untuk membantu kenyamanan ruangan. Oleh karena itu penulis ingin mengkaji fenomena ini dengan topik Evaluasi Penerapan Fasad dalam Meminimalisir Transfer Value pada Bangunan Mixused di Kota Yogyakarta dengan studi kasus pada Bangunan Lippo Mall dan Rumah Sakit Siloam Yogyakarta.
Additional file 7 of Is Postural Control Affected in People with Patellofemoral Pain and Should it be Part of Rehabilitation? A Systematic Review with Meta-analysis
Creators: name: Nunes, Guilherme S.
name: Rodrigues, Diênifer Zilmer
name: Hörbe, Luiza
name: Prates, Izabela
name: Tessarin, Bruna M.
name: Serrão, Fábio V.
name: de Noronha, Marcos
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Science Policy
subject: Mental Health

description: Additional file 7. Subgroup and meta-regression analysis.
MPPC versus MRS APD in two-phase Cryogenic Avalanche Detectors
Creators: name: Bondar, A.
name: Buzulutskov, A.
name: Dolgov, A.
name: Shemyakina, E.
name: Sokolov, A.
Publisher: name: arXiv
Year: 2015
Subjects: subject: Instrumentation and Detectors (physics.ins-det)
subject: FOS: Physical sciences

description: Two-phase Cryogenic Avalanche Detectors (CRADs) with combined THGEM/GAPD multiplier have become an emerging potential technique for dark matter search and coherent neutrino-nucleus scattering experiments. In such a multiplier the THGEM hole avalanches are optically recorded in the Near Infrared (NIR) using a matrix of Geiger-mode APDs (GAPDs). To select the proper sensor, the performances of six GAPD types manufactured by different companies, namely by Hamamatsu (MPPCs), CPTA (MRS APDs) and SensL (SiPMs), have been comparatively studied at cryogenic temperatures when operated in two-phase CRADs in Ar at 87 K. While the GAPDs with ceramic packages failed to operate properly at cryogenic temperatures, those with plastic packages, namely MPPC S10931-100P and MRS APD 149-35, showed satisfactory performances at 87 K. In addition, MPPC S10931-100P turned out to be superior in terms of the higher detection efficiency, lower nose rate, lower pixel quenching resistor and better characteristics reproducibility.
description: 11 pages, 8 figures. Submitted to JINST
Gene expression profile analysis unravelled the systems level association of renal cell carcinoma with diabetic nephropathy and Matrix-metalloproteinase-9 as a potential therapeutic target
Creators: name: Rao, Aditya
name: Gollapalli, Pavan
name: Shetty, Nandini Prasad
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Marine Biology
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: Type 2 diabetes (T2D) and cancer share many common risk factors. However, the potential biological link that connects the two at the molecular level is still unclear. The experimental evidence suggests that several genes and their pathways may be involved in developing cancerous conditions associated with diabetes. In this study, we identified the protein-protein interaction (PPI) networks and the hub protein(s) that interlink T2D and cancer using genome-scale differential gene expression profiles. Further, the PPI network of AMP-activated protein kinase (AMPK) in cancer was analyzed to explore novel insights into the molecular association between the two conditions. The densely connected regions were analyzed by constructing the backbone and subnetworks with key nodes and shortest pathways, respectively. The PPI network studies identified Matrix-metalloproteinase-9 (MMP-9) as a hub protein playing a vital role in glomerulonephritis tubular diseases and some genetic kidney diseases. MMP-9 was also associated with different growth factors, like tumor necrosis factor (TNF-α), transforming growth factor 1 (TGF-1), and pathways like chemokine signaling, NOD-like receptor signaling, etc. Further, the molecular docking and molecular dynamic simulation studies supported the druggability of MMP-9, suggesting it as a potential therapeutic target in treating renal cell carcinoma linked with diabetic kidney disease. Communicated by Ramaswamy H. Sarma
Influence of atomic tip structure on the intensity of inelastic tunneling spectroscopy data analyzed by combined scanning tunneling spectroscopy, force microscopy and density functional theory
Creators: name: Okabayashi, Norio
name: Gustafsson, Alexander
name: Peronio, Angelo
name: Paulsson, Magnus
name: Arai, Toyoko
name: Giessibl, Franz J.
Publisher: name: arXiv
Year: 2015
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: Achieving a high intensity in inelastic scanning tunneling spectroscopy (IETS) is important for precise measurements. The intensity of the IETS signal can vary up to a factor three for various tips without an apparent reason accessible by scanning tunneling microscopy (STM) alone. Here, we show that combining STM and IETS with atomic force microscopy enables carbon monoxide front atom identification, revealing that high IETS intensities for CO/Cu(111) are obtained for single atom tips, while the intensity drops sharply for multi-atom tips. Adsorbing the CO molecule on a Cu adatom [CO/Cu/Cu(111)] such that it is elevated over the substrate strongly diminishes the tip dependence of IETS intensity, showing that an elevated position channels most of the tunneling current through the CO molecule even for multi-atom tips, while a large fraction of the tunneling current bypasses the CO molecule in the case of CO/Cu(111).
Additional file 8 of Is Postural Control Affected in People with Patellofemoral Pain and Should it be Part of Rehabilitation? A Systematic Review with Meta-analysis
Creators: name: Nunes, Guilherme S.
name: Rodrigues, Diênifer Zilmer
name: Hörbe, Luiza
name: Prates, Izabela
name: Tessarin, Bruna M.
name: Serrão, Fábio V.
name: de Noronha, Marcos
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Science Policy
subject: Mental Health

description: Additional file 8. Data of the included studies.
Equivariant twisted Real $K$-theory of compact Lie groups
Creators: name: Fok, Chi-Kwong
Publisher: name: arXiv
Year: 2015
Subjects: subject: K-Theory and Homology (math.KT)
subject: Algebraic Topology (math.AT)
subject: FOS: Mathematics
subject: 19L50, 55N91

description: Let $G$ be a compact, connected, and simply-connected Lie group viewed as a $G$-space via the conjugation action. The Freed-Hopkins-Teleman Theorem (FHT) asserts a canonical link between the equivariant twisted $K$-homology of $G$ and its Verlinde algebra. In this paper we give a generalization of FHT in the presence of a Real structure of $G$. Along the way we develop preliminary materials necessary for this generalization, which are of independent interest in their own right. These include the definitions of Real Dixmier-Douady bundles, the Real third cohomology group which is shown to classify the former, and Real $\text{Spin}^c$ structures.
description: To appear in Journal of Geometry and Physics
Backhaul-Aware User Association and Resource Allocation for Energy-Constrained HetNets
Creators: name: Han, Qiaoni
name: Yang, Bo
name: Miao, Guowang
name: Chen, Cailian
name: Wang, Xiaocheng
name: Guan, Xinping
Publisher: name: arXiv
Year: 2015
Subjects: subject: Networking and Internet Architecture (cs.NI)
subject: FOS: Computer and information sciences

description: Growing attentions have been paid to renewable energy or hybrid energy powered heterogeneous networks (HetNets). In this paper, focusing on backhaul-aware joint user association and resource allocation for this type of HetNets, we formulate an online optimization problem to maximize the network utility reflecting proportional fairness. Since user association and resource allocation are tightly coupled not only on resource consumption of the base stations (BSs), but also in the constraints of their available energy and backhaul, the closed-form solution is quite difficult to obtain. Thus, we solve the problem distributively via employing some decomposition methods. Specifically, at first, by adopting primal decomposition method, we decompose the original problem into a lower-level resource allocation problem for each BS, and a higher-level user association problem. For the optimal resource allocation, we prove that a BS either assigns equal normalized resources or provides equal long-term service rate to its served users. Then, the user association problem is solved by Lagrange dual decomposition method, and a completely distributed algorithm is developed. Moreover, applying results of the subgradient method, we demonstrate the convergence of the proposed distributed algorithm. Furthermore, in order to efficiently and reliably apply the proposed algorithm to the future wireless networks with an extremely dense BS deployment, we design a virtual user association and resource allocation scheme based on the software-defined networking architecture. Lastly, numerical results validate the convergence of the proposed algorithm and the significant improvement on network utility, load balancing and user fairness.
description: 35 pages, 12 figures
Insight into molecular interaction between shrimp and white spot syndrome virus through MjsvCL-VP28 complex: an in-silico approach
Creators: name: Yadav, Kanika
name: Verma, Arunima Kumar
name: Gupta, Sunita
name: Pathak, Ajey Kumar
name: Sharma, Shikha
name: Awasthi, Abhishek
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology
subject: Computational Biology

description: White Spot disease is a devastating disease of shrimps caused by White Spot Syndrome Virus in multifarious shrimp species. At present there is no absolute medication to suppress the disease hence, there is an urgent need for development of drug against the virus. Molecular interaction between viral envelope protein VP28 and shrimp receptor protein especially chitins play a pivotal role in ingression of WSSV. In the present study, we have tried to shed light on structural aspects of lectin protein in Marsupenaeus japonicus (MjsvCL). A structural insight to the CTLD-domain of MjsvCL has facilitated the understanding of the binding mechanism between the two proteins that is responsible for entry of WSSV into shrimps. Further, incorporation of molecular dynamics simulation and MMPBSA studies revealed the affinity of binding and certain hotspot residues, which are critical for association of both the proteins. For the first time we have proposed that these amino acids are quintessential for formation of VP28-MjsvCL complex and play crucial role in entry of WSSV into shrimps. Targeting the interaction between VP28 and CTLD of MjsvCL may possibly serve as a potential drug target. The current study provides information for better understanding the interaction between VP28 and MjsvCL that could be a plausible site for future inhibitors against WSSV in shrimps. Communicated by Ramaswamy H. Sarma
Mostre e musei in Italia (e non solo). Recensione al nuovo sito-osservatorio della Scuola Normale di Pisa Osservatorio Mostre e Musei
Creators: name: Centanni, Monica
Publisher: name: La Rivista di Engramma
Year: 2006
Subjects: Scuola Normale di Pisa
Website
Exhibition

description: Review of the website “Osservatorio Mostre e Musei“ On the initiative of Paul Zanker the 'Observatory of Exhibitions and Museums' website was launched a few months ago: right from the title of the site, the site has been proposed as a critical observation point on ephemeral exhibitions and permanent installations. Born as a product of the "Interdisciplinary Research, Management and Planning Laboratory for Cultural Heritage" - the research center of the Normale di Pisa - the site is, in the first instance, the place where theoretical reflections and the training experiences of researchers flow back, scholars and students of the prestigious Pisan School.
Computational prediction and analysis of targeting 17-beta-hydroxysteroid dehydrogenase (17-beta-HSD1) with natural products for colorectal cancer treatment
Creators: name: Belachew, Aweke Mulu
name: Bachheti, Rakesh Kumar
name: Weldekidan, Araya Kahsay
name: Ufgaa, Mulugeta Gajaa
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Cancer

description: Colorectal cancer (CRC) is a type of cancer that occurs in the colon or rectum and kills millions of people each year. Steroid hormones are interconverted between their potent, high-affinity forms by using 17-beta hydroxysteroid dehydrogenase for their respective receptors in these tissues, with a high probability of random genetic errors. Currently, 17-beta-HSD1 studies have revealed the role of steroid metabolism in the development and proliferation of colorectal cancer. However, there is little information on how to target this enzyme with either modern medicine or natural products. In this study, we looked at 17-beta-HSD1 as a target for treating CRC development and proliferation using selected plant metabolites from previous studies. Plants are used to produce medicinal and novel bioactive compounds that are used to treat different infection. They primarily demonstrated anti-cancer effects through the regulation of cancer-related proteins, epigenetic factors and reactive oxygenase species. The study utilized Avogadro, ADMET lab 2.0, SWISS-MODEL, AutoDock, and Gromacs. Five lead molecules were chosen from a pool of plant metabolites based on their affinity for the 17-beta-HSD1 enzyme. Furthermore, two bind with high affinity are resveratrol (DG 11.29 kcal/mol) and folate (DG 12.23 kcal/mol) with low Ki values, while the rest binds with moderate affinity. Molecular dynamic simulation results also revealed that the folate-17-beta-HSD complex and reserverol- 17-beta-HSD1 complex maintained a stable conformation until the end of 100 ns. As a result, reserverol and folate could be used as lead molecules to target 17-beta-HSD1 and provide a promising starting point for further in vivo research. Communicated by Ramaswamy H. Sarma
Efficient MAP Approximation For Dense Energy Functions
Creators: name: Leordeanu, Marius
name: Hebert, Martial
Publisher: name: Figshare
Year: 2018
Subjects: subject: 80101 Adaptive Agents and Intelligent Robotics
subject: FOS: Computer and information sciences

description: We present an efficient method for maximizing
energy functions with first and second
order potentials, suitable for MAP labeling
estimation problems that arise in undirected
graphical models. Our approach is to relax
the integer constraints on the solution in two
steps. First we efficiently obtain the relaxed
global optimum following a procedure similar
to the iterative power method for finding
the largest eigenvector of a matrix. Next,
we map the relaxed optimum on a simplex
and show that the new energy obtained has
a certain optimal bound. Starting from this
energy we follow an efficient coordinate ascent
procedure that is guaranteed to increase
the energy at every step and converge to a
solution that obeys the initial integral constraints.
We also present a sufficient condition
for ascent procedures that guarantees
the increase in energy at every step.
User-Centered Attestation for Layered and Decentralized Systems
Creators: name: HAGEN REINHARD LAUER
name: Shahraki, Ahmad Salehi
name: Rudolph, Carsten
name: Nepal, Surya
Publisher: name: Monash University
Year: 2020
Subjects: subject: 80303 Computer System Security
subject: FOS: Computer and information sciences

description: Virtualization is omnipresent as the backbone ofcloud, edge, and fog computing as well as X-as-a-service infrastructure. It continues to gain increased popularity even in edge or end-user and embedded devices. The need for standards and specifications for secure and trustworthy collaboration becomes a pressing issue. Trusted Computing is considered one of the pillars towards trustworthy systems both in terms of practical security mechanisms and supporting standards. This paper revisits the Trusted Computing tool-set and introduces its current applicationin virtualization scenarios. We discuss challenges related totranslating the term trust between specifications for hardware modules such as the Trusted Platform Module (TPM) and applied specifications for operating systems, hypervisors, and virtual machines are — defining trust establishment becomes crucial for specifications extending trust beyond the TPM. We define Usercenteredattestation as a set of principles suitable for layered,decentralized systems along with a methodology for specifying and synthesizing such a trust establishment strategy.
Fundamental Limits of CDF-Based Scheduling: Throughput, Fairness, and Feedback Overhead
Creators: name: Jin, Hu
name: Jung, Bang Chul
name: Leung, Victor C. M.
Publisher: name: arXiv
Year: 2015
Subjects: subject: Information Theory (cs.IT)
subject: Networking and Internet Architecture (cs.NI)
subject: FOS: Computer and information sciences

description: In this paper, we investigate fundamental performance limits of cumulative distribution function (CDF)-based scheduling (CS) in downlink cellular networks. CS is known as an efficient scheduling method that can assign different time fractions for users or, equivalently, satisfy different channel access ratio (CAR) requirements of users while exploiting multi-user diversity. We first mathematically analyze the throughput characteristics of CS in arbitrary fading statistics and data rate functions. It is shown that the throughput gain of CS increases as the CAR of a user decreases or the number of users in a cell increases. For Nakagami-m fading channels, we obtain the average throughput in closed-form and investigate the effects of the average signal-to-noise ratio, the shape parameter m, and the CAR on the throughput performance. In addition, we propose a threshold-based opportunistic feedback technique in order to reduce feedback overhead while satisfying the CAR requirements of users. We prove that the average feedback overhead of the proposed technique is upper bounded by -ln(p), where p is the probability that no user satisfies the threshold condition in a cell. Finally, we adopt a novel fairness criterion, called qualitative fairness, which considers not only the quantity of the allocated resources to users but also the quality of the resources. It is observed that CS provides a better qualitative fairness than other scheduling algorithms designed for controlling CARs of users.
description: 14 pages, 11 figures, to appear in IEEE/ACM Transactions on Networking
Multiband superconductivity in Ta$_4$Pd$_3$Te$_{16}$ with anisotropic gap structure
Creators: name: Jiao, Wen-He
name: Liu, Yi
name: Li, Yu-Ke
name: Xu, Xiao-Feng
name: Bao, Jin-Ke
name: Feng, Chun-Mu
name: Li, Shi-Yan
name: Xu, Zhu-An
name: Cao, Guang-Han
Publisher: name: arXiv
Year: 2015
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: FOS: Physical sciences

description: We carried out the measurements of magnetoresistance, magnetic susceptibility and specific heat on crystals of the low-dimensional transition metal telluride Ta$_4$Pd$_3$Te$_{16}$. Our results indicate that Ta$_4$Pd$_3$Te$_{16}$ is an anisotropic type-II superconductor with the extracted Ginzburg-Landau parameter $κ_{\text{GL}}=$ 84. The upper critical field $H_{c2}$($T$) shows a linear dependence at low temperature and the anisotropy of $H_{c2}$($T$) is strongly $T$-dependent, both of which indicate a multiband scenario. A detailed analysis reveals that the electronic specific heat $C_{\text{el}}$($T$) can be consistently described by a two-gap ($s$+$d$ waves) model from the base temperature $T/T_c\sim$ 0.12 up to $T_c$. Our data suggests multiband superconductivity in Ta$_4$Pd$_3$Te$_{16}$ with anisotropic gap structure.
description: 6 pages, 4 figures
Dialogue Patterns of an Arabic Robot Receptionist
Creators: name: Makatchev, Maxim
name: Fanaswala, Imran
name: Abdulsalam, Ameer
name: Browning, Brett
name: Ghazzawi, Wael
name: Sakr, Majd
name: Simmons, Reid
Publisher: name: Figshare
Year: 2018
Subjects: subject: 80101 Adaptive Agents and Intelligent Robotics
subject: FOS: Computer and information sciences

description: Hala is a bilingual (Arabic and English) culturally-sensitive robot receptionist located at Carnegie Mellon University in Qatar. We report results from Hala's deployment by comparing her English dialogue corpus to that of a similar monolingual robot (named "Tank") located at CMU's Pittsburgh campus. Specifically, we compare the average number of turns per interaction, duration of interactions, frequency of interactions with personal questions, rate of non-understandings, and rate of thanks after the robot's answer. We provide possible explanations for observed similarities and differences and highlight potential cultural implications on the interactions.
Additional file 1 of The role of the oral microbiome in smoking-related cardiovascular risk: a review of the literature exploring mechanisms and pathways
Creators: name: Maki, Katherine A.
name: Ganesan, Sukirth M.
name: Meeks, Brianna
name: Farmer, Nicole
name: Kazmi, Narjis
name: Barb, Jennifer J.
name: Joseph, Paule V.
name: Wallen, Gwenyth R.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Physiology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Science Policy

description: Additional file 1: PubMed search strategy and search terms.
Application of one-step method to parameter estimation in ODE models
Creators: name: Dattner, Itai
name: Gugushvili, Shota
Publisher: name: arXiv
Year: 2015
Subjects: subject: Methodology (stat.ME)
subject: FOS: Computer and information sciences
subject: 62F12 (Primary) 62G08, 62G20 (Secondary)

description: In this paper we study application of Le Cam's one-step method to parameter estimation in ordinary differential equations models. This computationally simple technique can serve as an alternative to numerical evaluation of the popular nonlinear least squares estimator, which typically requires the use of a multi-step iterative algorithm and repetitive numerical integration of the ODE system. The one-step method starts from a preliminary $\sqrt{n}$-consistent estimator of the parameter of interest and next turns it into an asymptotic (as the sample size $n\rightarrow\infty$) equivalent of the least squares estimator through a numerically straightforward procedure. We demonstrate performance of the one-step estimator via extensive simulations and real data examples. The method enables the researcher to obtain both point and interval estimates. The preliminary $\sqrt{n}$-consistent estimator that we use depends on nonparametric smoothing, and we provide a data driven methodology for choosing its tuning parameter and support it by theory. An easy implementation scheme of the one-step method for practical use is pointed out.
description: 29 pages, 9 tables, 7 figures
Discriminative Random Fields: A Discriminative Framework for Contextual Interaction in Classification
Creators: name: Kumar, Sanjiv
name: Hebert, Martial
Publisher: name: Figshare
Year: 2018
Subjects: subject: 80101 Adaptive Agents and Intelligent Robotics
subject: FOS: Computer and information sciences

description: In this work we present Discriminative Random Fields
(DRFs), a discriminative framework for the classification of
image regions by incorporating neighborhood interactions
in the labels as well as the observed data. The discriminative
random fields offer several advantages over the conventional
Markov Random Field (MRF) framework. First,
the DRFs allow to relax the strong assumption of conditional
independence of the observed data generally used in
the MRF framework for tractability. This assumption is too
restrictive for a large number of applications in vision. Second,
the DRFs derive their classification power by exploiting
the probabilistic discriminative models instead of the
generative models used in the MRF framework. Finally, all
the parameters in the DRF model are estimated simultaneously
from the training data unlike the MRF framework
where likelihood parameters are usually learned separately
from the field parameters. We illustrate the advantages of
the DRFs over the MRF framework in an application of
man-made structure detection in natural images taken from the Corel database.
Probing hybrid modified gravity by stellar motion around Galactic Centre
Creators: name: Borka, D.
name: Capozziello, S.
name: Jovanović, P.
name: Jovanović, V. Borka
Publisher: name: arXiv
Year: 2015
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: We consider possible signatures for the so called {\it hybrid gravity} within the Galactic Central Parsec. This modified theory of gravity consists of a superposition of the metric Einstein-Hilbert Lagrangian with an $f(R)$ term constructed {\it à la Palatini} and can be easily reduced to an equivalent scalar-tensor theory. Such an approach is introduced in order to cure the shortcomings related to $f(R)$ gravity, in general formulated either in metric or in metric-affine frameworks. Hybrid gravity allows to disentangle the further gravitational degrees of freedom with respect to those of standard General Relativity. The present analysis is based on the S2 star orbital precession around the massive compact dark object at the Galactic Centre where the simulated orbits in hybrid modified gravity are compared with astronomical observations. These simulations result with constraints on the range of hybrid gravity interaction parameter $ϕ_0$, showing that in the case of S2 star it is between -0.0009 and -0.0002. At the same time, we are also able to obtain the constraints on the effective mass parameter $m_ϕ$, and found that it is between -0.0034 and -0.0025 AU$^{-1}$ for S2 star. Furthermore, the hybrid gravity potential induces precession of S2 star orbit in the same direction as General Relativity. In previous papers, we considered other types of extended gravities, like metric power law $f(R)\propto R^n$ gravity, inducing Yukawa and Sanders-like gravitational potentials, but it seems that hybrid gravity is the best among these models to explain different gravitational phenomena at different astronomical scales.
description: 11 pages, 4 figures, accepted for publication in Astroparticle Physics
Living labs for product circularity: learnings from the ‘innovation network aiming at sustainable smartphones’
Creators: name: Revellio, Ferdinand
name: Hansen, Erik G.
name: Schaltegger, Stefan
Publisher: name: Technische Universität Berlin
Year: 2021
Subjects: subject: 500 Naturwissenschaften und Mathematik
subject: 600 Technik, Technologie
subject: 300 Sozialwissenschaften
subject: circular economy
subject: living labs
subject: co-creation
subject: consumer electronics
subject: smartphones

description: Adopting the concept of a circular economy at a product level requires firms to rethink their business model and collaborate with partners across their value chain. Reaching product circularity through closing, slowing, and narrowing resource loops can be understood as a systems innovation, which calls for transdisciplinary research approaches. This paper presents insights from the ‘Innovation Network aiming at Sustainable Smartphones’ (INaS) located at the authors’ institute. INaS is a living lab that brings together actors from the entire smartphone value chain to co-create circular product and service innovations. We contribute to research and practice with a process framework for leveraging partnerships through living labs for product circularity.
Additional file 1 of Exposure to violence is associated with decreased neural connectivity in emotion regulation and cognitive control, but not working memory, networks after accounting for socioeconomic status: a preliminary study
Creators: name: Mattheiss, Samantha R.
name: Levinson, Hillary
name: Rosenberg-Lee, Miriam
name: Graves, William W.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: Sociology
subject: FOS: Sociology
subject: Mental Health

description: Additional file 1: Figure S1. L = left hemisphere, R = right hemisphere. Whole-brain effects of left and right amygdala seeds, for the high exposure to violence and low exposure to violence groups. Warm colors represent positive correlations, in which the amygdala seed regions are positively connected with the areas highlighted. Figure S2. Areas where functional connectivity strength (beta-weights) is significantly correlated with exposure to violence, after statistically controlling for current socio-economic status. A: Functional connectivity with left amygdala seed. B: Functional connectivity with right amygdala seed. Cool colors represent negative correlations, where increasing exposure to violence is associated with decreasing connectivity between each amygdala seed region and the areas highlighted. Figure S3. Areas where connectivity strength (beta-weights) is significantly correlated with exposure to violence, after statistically controlling for current socio-economic status. Cool colors represent negative correlations, where increasing exposure to violence is associated with decreasing connectivity between the right dlPFC seed region and the areas highlighted. Figure S4. Analysis of right dlPFC connectivity with seed from the Owen et al. [75] meta-analysis of working memory. Cool colors represent negative correlations, where increasing exposure to violence is associated with decreasing connectivity between the right dlPFC seed from Owen et al. [75] and the areas highlighted. Note that results are nearly identical to those in Figure 3.
Molecular shells in IRC+10216: tracing the mass loss history
Creators: name: Cernicharo, J.
name: Marcelino, N.
name: Agundez, M.
name: Guelin, M.
Publisher: name: arXiv
Year: 2014
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: The ejecta of thermally-pulsating AGB stars largely control the chemical evolution of galaxies. Yet, both, the mass-loss process and the gas chemical composition remain poorly understood. We present maps of the extended 12CO and 13CO emission in IRC+10216, the envelope of CW Leo, the high mass loss star the closest to the Sun. IRC+10216 is nearly spherical and expands radially with a velocity of 14.5 km/s. The observations, made with the IRAM 30-m telescope, have a sensibility, calibration, and angular resolution far higher than previous studies. The angular resolution is 11", which corresponds to an expansion time of 500 yr. The CO emission consists of a centrally peaked pedestal and a series of bright, nearly spherical shells. It peaks on CW Leo and remains relatively strong up to 180". Further out it becomes very weak and vanishes as CO gets photodissociated. The CO maps allow to trace the mass loss history in the last 8000 yr. The bright CO shells denote overdense regions, which indicate that the mass loss process is highly variable on timescales of hundreds of years. The new data, however, infirm previous claims of a strong decrease of the average mass loss in the last few thousand years. The overdense shells are not perfectly concentric and extend farther to the N-NW. The typical shell separation is 800-1000 yr in the middle of the envelope, but seems to increase outwards. The shell-intershell brightness contrast is $\geq$ 3. All those key features can be accounted for if CW Leo has a companion star with a period of $\sim$ 800 yr that increases the mass loss rate when it comes close to periastron. Higher angular resolution observations are needed to fully resolve the dense shells and measure the density contrast. The latter plays an essential role for our understanding of the envelope chemistry.
description: Accepted for publication in A&A. Text edited with respect to previous version
Detecting Parkinsons' symptoms in uncontrolled home environments: a multiple instance learning approach.
Creators: name: Samarjit  Das
name: Breogan  Amoedo
name: Torre, Fernando De La
name: Hodgins, Jessica K
Publisher: name: Figshare
Year: 2018
Subjects: subject: 80101 Adaptive Agents and Intelligent Robotics
subject: FOS: Computer and information sciences

description: In this paper, we propose to use a weakly supervised machine learning framework for automatic detection of Parkinson's Disease motor symptoms in daily living environments. Our primary goal is to develop a monitoring system capable of being used outside of controlled laboratory settings. Such a system would enable us to track medication cycles at home and provide valuable clinical feedback. Most of the relevant prior works involve supervised learning frameworks (e.g., Support Vector Machines). However, in-home monitoring provides only coarse ground truth information about symptom occurrences, making it very hard to adapt and train supervised learning classifiers for symptom detection. We address this challenge by formulating symptom detection under incomplete ground truth information as a multiple instance learning (MIL) problem. MIL is a weakly supervised learning framework that does not require exact instances of symptom occurrences for training; rather, it learns from approximate time intervals within which a symptom might or might not have occurred on a given day. Once trained, the MIL detector was able to spot symptom-prone time windows on other days and approximately localize the symptom instances. We monitored two Parkinson's disease (PD) patients, each for four days with a set of five triaxial accelerometers and utilized a MIL algorithm based on axis parallel rectangle (APR) fitting in the feature space. We were able to detect subject specific symptoms (e.g. dyskinesia) that conformed with a daily log maintained by the patients.