cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
A few localisation theorems
Creators: name: Kahn, Bruno
name: Sujatha, R.
Publisher: name: arXiv
Year: 2006
Subjects: subject: Algebraic Geometry (math.AG)
subject: Category Theory (math.CT)
subject: FOS: Mathematics

description: Given a functor $T:C \to D$ carrying a class of morphisms $S\subset C$ into a class $S'\subset D$, we give sufficient conditions in order that $T$ induces an equivalence on the localised categories. These conditions are in the spirit of Quillen's theorem A. We give some applications in algebaic and birational geometry.
description: File mistake in Version 2 To appear in Homology, Homotopy and Applications
Doping profile engineered triple heterojunction TFETs with 12 nm body thickness
Creators: name: Chen, Chin-Yi
name: Tseng, Hsin-Ying
name: Ilatikhameneh, Hesameddin
name: Ameen, Tarek A.
name: Klimeck, Gerhard
name: Rodwell, Mark J.
name: Povolotskyi, Michael
Publisher: name: arXiv
Year: 2020
Subjects: subject: Applied Physics (physics.app-ph)
subject: FOS: Physical sciences

description: Triple heterojunction (THJ) TFETs have been proposed to resolve the low ON-current challenge of TFETs. However, the design space for THJ-TFETs is limited by fabrication challenges with respect to device dimensions and material interfaces. This work shows that the original THJ-TFET design with 12 nm body thickness has poor performance, because its sub-threshold swing is 50 mV/dec and the ON-current is only 6 $μA/μm$. To improve the performance, the doping profile of THJ-TFET is engineered to boost the resonant tunneling efficiency. The proposed THJ-TFET design shows a sub-threshold swing of 40 mV/dec over four orders of drain current and an ON-current of 325 uA/um with VGS = 0.3 V. Since THJ-TFETs have multiple quantum wells and material interfaces in the tunneling junction, quantum transport simulations in such devices are complicated. State-of-the-art mode-space quantum transport simulation, including the effect of thermalization and scattering, is employed in this work to optimize THJ-TFET design.
Fragment-based structural exploration and chemico-biological interaction study of HDAC3 inhibitors through non-linear pattern recognition, chemical space, and binding mode of interaction analysis
Creators: name: Banerjee, Suvankar
name: Dumawat, Shraddha
name: Jha, Tarun
name: Lanka, Goverdhan
name: Adhikari, Nilanjan
name: Ghosh, Balaram
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: HDAC3 is an emerging target for the identification and discovery of novel drug candidates against several disease conditions including cancer. Here, a fragment-based non-linear machine learning (ML) method along with chemical space exploration followed by a structure-based binding mode of interaction analysis study was carried out on some HDAC3 inhibitors to obtain the key structural features modulating HDAC3 inhibition. Both the ML and chemical space analysis identified several physicochemical and structural properties namely lipophilicity, polar and relative polar surface area, arylcarboxamide moiety, bulky fused aromatic group, n-alkyl, and cinnamoyl moieties, the higher number of oxygen atoms, π-electrons for the substituted tetrahydrofuronaphthodioxolone moiety favorable for higher HDAC3 inhibition. Moreover, hydrogen bond forming capabilities, the length and substitution position of the linker moiety, the importance of phenyl ring in the linker motif, the contribution of heterocyclic cap moieties for effective inhibitor binding at the HDAC3 catalytic site that correspondingly affects the HDAC3 inhibitory potency. Again, macrocyclic ring structure and cyclohexyl cap moiety are responsible for lower HDAC3 inhibition. The MD simulation study of selected compounds explained strong binding patterns at the HDAC3 active site as evidenced by the lower RMSD and RMSF values. Nevertheless, it also explained the importance of the crucial structural fragments derived from the fragment-based analysis during ligand-enzyme interactions. Therefore, the outcomes of this current structural analysis will be a useful tool for fragment-based drug discovery of effective HDAC3 inhibitors for clinical therapeutics in the future. Communicated by Ramaswamy H. Sarma
Modeling the Current Modulation of Bundled DNA Structures in Nanopores
Creators: name: Szuttor, Kai
name: Weik, Florian
name: Grad, Jean-Noël
name: Holm, Christian
Publisher: name: arXiv
Year: 2020
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: Computational Physics (physics.comp-ph)
subject: FOS: Physical sciences

description: We investigate the salt-dependent current modulation of bundled DNA nanostructures in a nanopore. To this end, we developed four simulation models for a 2x2 origami structure with increasing level of detail: from the mean-field level to an all-atom representation of the DNA structure. We observe a consistent pore conductivity as a function of salt concentration for all four models. However, a comparison of our data to recent experimental investigations on similar systems displays significant deviations. We discuss possible reasons for the discrepancies and propose extensions to our models for future investigations.
NMR Observation of Rattling Phonons in the Pyrochlore Superconductor KOs2O6
Creators: name: Yoshida, M.
name: Arai, K.
name: Kaido, R.
name: Takigawa, M.
name: Yonezawa, S.
name: Muraoka, Y.
name: Hiroi, Z.
Publisher: name: arXiv
Year: 2006
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: We report nuclear magnetic resonance studies on the beta-pyrochlore oxide superconductor KOs2O6. The nuclear relaxation at the K sites is entirely caused by fluctuations of electric field gradient, which we ascribe to highly anharmonic low frequency oscillation (rattling) of K ions. A phenomenological analysis shows a crossover from overdamped to underdamped behavior of the rattling phonons with decreasing temperature and its sudden sharpening below the superconducting transition temperature Tc. Absence of the Hebel-Slichter peak in the relaxation rate at the O sites below Tc also indicates strong electron-phonon coupling.
description: 4 pages, 3 figures
Additional file 1 of QTL mapping of a Brazilian bioethanol strain links the cell wall protein-encoding gene GAS1 to low pH tolerance in S. cerevisiae
Creators: name: Coradini, Alessandro L. V.
name: da Silveira Bezerra de Mello, Fellipe
name: Furlan, Monique
name: Maneira, Carla
name: Carazzolle, Marcelo F.
name: Pereira, Gonçalo Amarante Guimaraes
name: Teixeira, Gleidson Silva
Publisher: name: figshare
Year: 2021
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 1. Phenotypic distribution of 48 JAY270 segregants growing on solid YPD containing decreasing concentrations of pH to define the Minimum Inhibitory Concentration. A. Boxplot graph containing the colony size values of 48 JAY270 segregants growing on solid YPD at different pH values (4; 3.5; 3; 2.5; 2.1). B. Images of each low pH plate containing the 48 segregants evaluated on this minimum inhibitory concentration assay. The images were captured 96 hours after plating.
Effect of antidiabetic drug metformin hydrochloride on micellization behavior of cetylpyridinium bromide in aqueous solution
Creators: name: S, Anjali
name: R, Vigneshwari
name: Sivakumar, K
name: Dash, Sasmita
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Medicine
Neuroscience
Pharmacology
Chemical Sciences not elsewhere classified
Cancer
Computational Biology

description: Herein, the interaction of an antidiabetic drug, metformin hydrochloride (MHCl), and a cationic surfactant, cetylpyridinium bromide (CPB) is investigated in an aqueous medium. The critical micellar concentration (CMC) of CPB is estimated through conductivity experiments and found to be reduced on adding MHCl and further decreased in the presence of NaCl. The reduced CMC is attributed to the solubilization of MHCl by CPB through micellization and the micellization is found to be thermodynamically spontaneous that experiences an augmentation in the presence of NaCl. This is identified from the negative value of standard free energy (ΔG0m). The higher negative value of ΔG0m (-55.41 kJ mol−1) for CPB + MHCl + NaCl than CPB (-37.89 kJ mol−1) and CPB + MHCl (-34.08 kJ mol−1) is suggestive of the above phenomenon. The positive values of ΔS0m in all three cases confirm that the micellization is entropy driven. The binding of MHCl on CPB is quantified by estimating binding constant using the Benesi-Hildebrand (B-H) plot through UV-visible spectral methods. The binding constant values were calculated to be 2.70 M−1 for CPB + MHCl + NaCl compared to 1.258 M−1 for CPB + MHCl predicting a favoring of micellization in the presence of NaCl which is higher than that in the presence of co-solvents. The molecular interaction of MHCl and CPB is justified using FT-IR and NMR techniques. The surface properties of drug surfactant interactions are assessed using SEM techniques. The point of interaction between the drug and surfactant is visualized through the molecular docking approach. The results suggest that CPB would be an effective solubilizer for developing MHCl drug formulations. Communicated by Ramaswamy H. Sarma
Additional file 2 of QTL mapping of a Brazilian bioethanol strain links the cell wall protein-encoding gene GAS1 to low pH tolerance in S. cerevisiae
Creators: name: Coradini, Alessandro L. V.
name: da Silveira Bezerra de Mello, Fellipe
name: Furlan, Monique
name: Maneira, Carla
name: Carazzolle, Marcelo F.
name: Pereira, Gonçalo Amarante Guimaraes
name: Teixeira, Gleidson Silva
Publisher: name: figshare
Year: 2021
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 2. Spotting assay for growing at low pH (2.1) of ACY503/CEN.PK113-1A segregants belonging to the “high resistant pool” (A) and “low resistant pool” (B). Each lane represents a different isolated colony and the columns the dilution factor applied to the initial cultures before spotting.
Determination of the Equation of State of a Two-Component Fermi Gas at Unitarity
Creators: name: Shin, Yong-il
Publisher: name: arXiv
Year: 2008
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: We report on the measurement of the equation of state of a two-component Fermi gas of $^6$Li atoms with resonant interactions. By analyzing the \textit{in situ} density distributions of a population-imbalanced Fermi mixture reported in the recent experiment [Y. Shin \textit{et al.}, Nature \textbf{451}, 689 (2008)], we determine the energy density of a resonantly interacting Fermi gas as a function of the densities of the two components. We present a method to determine the equation of state directly from the shape of the trapped cloud, where the fully-polarized, non-interacting ideal Fermi gas in the outer region provides the absolute calibration of particle density. From the density profiles obtained at the lowest temperature, we estimate the zero-temperature equation of state.
description: 4 pages, 3 figures / typo correction / figure replacement
Assessing the potential of rosary pea (Abrus precatorius L.) derived aqueous seed extracts as anticancer agents and their phytoconstituents as COX-2 inhibitor: an in-vitro and in-silico approach
Creators: name: Kaur, Amritpal
name: Singh, Gagandeep
name: Sharma, Yash
name: Kumar, Manish
name: Kumar, Anoop
name: Bala, Kumud
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Developmental Biology
subject: Cancer
subject: Hematology

description: Abrus precatorius L. is a traditional remedy with a long history of use in medicine around the globe due to its diverse phytochemical composition and bioactivities which are of utmost significance to the scientific community. With the aim to provide new insights into the antioxidant, antiproliferative and antiangiogenic properties of A. precatorius aqueous seed extracts, different extraction methods were employed. Aqueous extract prepared by Soxhlet method APW (Sox) had higher total phenolics, flavonoids and tannin content. In DPPH assay, APW (Sox) had the maximum free radical scavenging activity. The maximum FRAP value was displayed by APW (Mac). The maximum inhibition was shown by APW (Sox) against HPV18 (Hep2C) cells and APW (Mac) against HPV18 (KB) cells. In cervical cancer (Hep2C) cells, catalase (CAT), glutathione-s-transferase (GST) activity, and glutathione (GSH) content were all highest in APW (Sox) extract, whereas APW (Mac) extract demonstrated the highest superoxide dismutase (SOD) activity and the lowest malondialdehyde (MDA) content. Similarly, in oral cancer (KB) cells, APW (Mac) extract showed the highest SOD, CAT, GST activity and GSH content whereas APW (Sox) extract showed the least MDA content. Docking studies showed that tannic acid and rutin had the highest binding affinity, while MD simulations showed that they were stable in complex with COX-2 for at least 90 ns. Promising antiangiogenic activities were observed in both APW (Sox) and APW (Mac) in a dose dependent manner. Therefore, aqueous seed extracts of A. precatorius could be considered promising candidates for anticancer and antiangiogenic drugs. Communicated by Ramaswamy H. Sarma
Teaching an Old Ball New Tricks: Another Look at Energetics, Motion Detectors and a Bouncing Rubber Ball
Creators: name: Marasco, David
Publisher: name: arXiv
Year: 2020
Subjects: subject: Physics Education (physics.ed-ph)
subject: FOS: Physical sciences

description: A bouncing rubber ball under a motion sensor is a classic of introductory physics labs. It is often used to measure the acceleration due to gravity, and can also demonstrate conservation of energy. By observing that the ball rises to a lower height upon each bounce, posing the question "what is the main source of energy loss?" and requiring students to construct their own measured values for velocity from position data, a rich lab experience can be created that results in good student discussions of proper analysis of data, and implementation of models. The payoff is student understanding that seemingly small differences in definitions can lead to very different conclusions.
Early Cosmological HII/HeIII Regions and Their Impact on Second-Generation Star Formation
Creators: name: Yoshida, Naoki
name: Oh, S. Peng
name: Kitayama, Tetsu
name: Hernquist, Lars
Publisher: name: arXiv
Year: 2006
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: (Abridged) We present the results of three-dimensional radiation-hydrodynamics simulations of the formation and evolution of early HII/HeIII regions around the first stars. Cooling (by H2 and HD) and recollapse of the gas in the relic HII region is also followed in a full cosmological context, until second-generation stars are formed. A large HII region with a few kiloparsec diameter is formed, within which a smaller HeIII region is embedded. Radiative feedback effect quenches further star-formation within the halo for a hundred million years. Accretion onto remnant blackholes will be inefficient. Recombination radiation within the HII region is weak, but persists for 50 million years. We also follow the thermal and chemical evolution of the photo-ionized gas in the relic HII region. The gas cools by HD line cooling down to a few tens Kelvin. At high redshifts (z>10), the minimum gas temperature is limited by T_CMB. Because of its low temperature, the characteristic mass of a Jeans-unstable gas clump is ~ 40 Msun, and is significantly smaller than a typical clump mass for early primordial gas clouds. We find no evidence of fragmentation by this epoch. Together with the small cloud mass, this result indicates that massive, rather than very massive, primordial stars may form in the relic HII region. Such stars might be responsible for early metal-enrichment of the interstellar medium from which recently discovered hyper metal-poor stars were born.
description: Version accepted by ApJ. Figures 10, 12, 13 updated using two additional simulations
REEEM-D2.1b_Innovation and Technology Roadmap - Renewable Energy Integration
Creators: name: REEEM Project
Publisher: name: Zenodo
Year: 2019

description: In the framework of the REEEM project, the development of three technology and innovation roadmap is planned to highlight the role of innovation and technologies in the transition pathways toward a low carbon EU society. This report presents the second roadmap dedicated to renewable energy integration. The primary findings of this roadmap are consolidated in a stakeholder workshop in April 2018 in Brussels. The outcome of this report will provide a market outlook and techno-economic data projections for renewable energy technologies (i.e., wind power, solar PV power, and ocean power). It also provides inputs for the modelling activities in the REEEM project, particularly to model the EU transition to a low-carbon society according to a Base Pathway and two cases derived from it (one with high renewables penetration and one with expected breakthrough in floating foundation offshore wind and building-integrated PV). This report will be complemented by IRL reports, assessing and evaluate innovation readiness of selected renewable energy technologies
Identification of potential Escherichia coli DNA gyrase B inhibitors targeting antibacterial therapy: an integrated docking and molecular dynamics simulation study
Creators: name: Alotaibi, Bader S.
name: Hakami, Mohammed Ageeli
name: Jawaid, Talha
name: Alshammari, Nawaf
name: Binsuwaidan, Reem
name: Adnan, Mohd
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
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: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: The alarming rise in the rate of antibiotic resistance is a matter of significant concern. DNA gyrase B (GyrB), a critical bacterial enzyme involved in DNA replication, transcription, and recombination, has emerged as a promising target for antibacterial agents. Inhibition of GyrB disrupts bacterial DNA replication, leading to cell death, making it an attractive candidate for antibiotic development. Although several classes of antibiotics targeting GyrB are currently in clinical use, the emergence of antibiotic resistance necessitates the exploration of novel inhibitors. In this study, we aimed to identify potential Escherichia coli GyrB inhibitors from a database of phytoconstituents sourced from Indian medicinal plants. Utilizing virtual screening, we performed a rigorous search to identify compounds with the most promising inhibitory properties against GyrB. Two compounds, namely Zizogenin and Cucurbitacin S, were identified based on their favorable drug likeliness and pharmacokinetic profiles. Employing advanced computational techniques, we analyzed the binding interactions of Zizogenin and Cucurbitacin S with the ATP-binding site of GyrB through molecular docking simulations. Both compounds exhibited robust binding interactions, evidenced by their high docking energy scores. To assess the stability of these interactions, we conducted extensive 100 ns molecular dynamics (MD) simulations, which confirmed the stability of Zizogenin and Cucurbitacin S when bound to GyrB. In conclusion, our study highlights Zizogenin and Cucurbitacin S as promising candidates for potential antibacterial agents targeting GyrB. Experimental validation of these compounds is warranted to further explore their efficacy and potential as novel antibiotics to combat antibiotic-resistant bacteria. Communicated by Ramaswamy H. Sarma
Dynamical Mass of GJ 802B: a brown dwarf in a triple system
Creators: name: Ireland, M. J.
name: Kraus, A.
name: Martinache, F.
name: Lloyd, J. P.
name: Tuthill, P. G.
Publisher: name: arXiv
Year: 2008
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: We report a dynamical measurement of the mass of the brown dwarf GJ 802B using aperture-masking interferometry and astrometry. In addition, we report the discovery that GJ 802A is itself a close spectroscopic non-eclipsing binary with a 19 hour period. We find the mass of GJ 802B to be $0.063\pm0.005$M$_\sun$. GJ 802 has kinematics inconsistent with a young star and more consistent with the thick disk population, implying a system age of $\sim$10 GYr. However, model evolutionary tracks for GJ 802B predict system ages of $\sim$2 GYr, suggesting that brown dwarf evolutionary models may be underestimating luminosity for old brown dwarfs.
description: 10 pages, 6 figures, accepted for ApJ
Evaluation of exercise tolerance in women receiving surgery and chemotherapy as treatment for stage II breast cancer
Creators: name: Wiley, Lisa Dawn
Publisher: name: University of British Columbia
Year: 2009

description: Worldwide, breast cancer is the second-most-common cause of cancer deaths in women (Harvey and Beattie, 1996). It is estimated that by the year 2000, one million women a year will receive a diagnosis of breast cancer, while in Canada alone, the disease develops in 18,400 women every year (National Cancer Institute of Canada, 1997). The development and improvement of new treatment modalities for breast cancer have resulted in increasing cure rates and longer disease-free survival making the outcome of cancer therapy increasingly important. Damaging effects of cancer therapies can occur in the heart and lungs and therefore are thought to impede the patient's functional capacity and ability to exercise. The purpose of this study was to characterize the early changes in functional capacity that occur in women diagnosed with stage II breast cancer, whose treatment involves a schedule of mastectomy and adjuvant chemotherapy. Nine female patients performed the treatment protocol at three different sessions: 1) after diagnosis of breast cancer but before surgery, 2) following surgery but before beginning chemotherapy, and 3) following chemotherapy. Testing sessions involved two protocols and the subjects served as their own controls throughout the three tests. Firstly, resting pulmonary function was assessed using the Spirometry software package on the Medical Graphics CPX-D Metabolic Cart. Forced Vital Capacity (FVC), forced expiratory volume in one second (FEV1), the ratio of the two (FEV1/FVC), and maximal voluntary ventilation (MVV) were measured. The second protocol was a V0₂max test on an electronically-braked cycle ergometer (Lode BV Excalibur V2.0) using a Medical Graphics CPX-D Exercise Testing System. Measurements included maximal heart rate (HRmax), minute ventilation (VE), maximal oxygen consumption (V02max), and peak power output (PPO). While cycling, percent arterial oxygen saturation (%Sa02) was monitored with a pulse oximeter (Ohmeda Box 3740). Anthropometric measures including height, weight and sum of skinfolds (SOS) were recorded before each test. Data was analyzed using a one-way repeated measures A N O V A design on SPSS and subsequent Tukey HSD post-hoc analyses were performed by hand. A probability value of < 0.05 was considered to provide significance. V 0 2 m a x values, measured both in L/min and ml/kg/min decreased significantly from baseline to the end of chemotherapy (1.70 ± 0.31 to 1.47 ± 0.31 L/min; and 28.3 ± 5.54 to 24.52 ± 6 . 1 3 ml/kg/min, respectively). FEV1/FVC and M V V did not change significantly throughout the treatment. PPO, HRm a x , Sa02 , and V E also remained unchanged after chemotherapy treatment. Although respiratory function was not affected, the data suggests that breast cancer patients treated with chemotherapy experience a decrease in cardiorespiratory fitness and associated loss of functional capacity.
Additional file 4 of QTL mapping of a Brazilian bioethanol strain links the cell wall protein-encoding gene GAS1 to low pH tolerance in S. cerevisiae
Creators: name: Coradini, Alessandro L. V.
name: da Silveira Bezerra de Mello, Fellipe
name: Furlan, Monique
name: Maneira, Carla
name: Carazzolle, Marcelo F.
name: Pereira, Gonçalo Amarante Guimaraes
name: Teixeira, Gleidson Silva
Publisher: name: figshare
Year: 2021
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 4. List of 41 Saccharomyces sp. strains evaluated during growth at low pH (2.5).
Potential suppression of multidrug-resistance-associated protein 1 by coumarin derivatives: an insight from molecular docking and MD simulation studies
Creators: name: Shahpouri, Parisa
name: Mehralitabar, Havva
name: Kheirabadi, Mitra
name: Noureini, Sakineh Kazemi
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Space Science
Medicine
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Hematology

description: Human MRP1 protein plays a vital role in cancer multidrug resistance. Coumarins show promising pharmacological properties. Virtual screening, ADMET, molecular docking and molecular dynamics (MD) simulations were utilized as pharmacoinformatic tools to identify potential MRP1 inhibitors among coumarin derivatives. Using in silico ADMET, 50 hits were further investigated for their selectivity toward the nucleotide-binding domains (NBDs) of MRP1 using molecular docking. Accordingly, coumarin, its symmetrical ketone derivative Lig. No. 4, and Reversan were candidates for focused docking study with the NBDs domains compared with ATP. The result indicates that Lig. No. 4, with the best binding score, interacts with NBDs via hydrogen bonds with residues: GLN713, LYS684, GLY683, CYS682 in NBD1, and GLY1432, GLY771, SER769 and GLN1374 in NBD2, which mostly overlap with ATP binding residues. Moreover, doxorubicin (Doxo) was docked to the transmembrane domains (TMDs) active site of MRP1. Doxo interaction with TMDs was subjected to MD simulation in the NBDs free and occupied with Lig. No. 4 states. The results showed that Doxo interacts more strongly with TMD residues in inward facing feature of TMDs helices. However, when Lig. No. 4 exists in NBDs, Doxo interactions are different, and TMD helices show more outward-facing conformation. This result may suggest a partial competitive inhibition mechanism for the Lig. No. 4 on MRP1 compared with ATP. So, it may inhibit active complex formation by interfering with ATP entrance to NBDs and locking MRP1 conformation in outward-facing mode. This study suggests a valuable coumarin derivative that can be further investigated for potent MRP1 inhibitors. Communicated by Ramaswamy H. Sarma Virtual screening scored a symmetrical ketone derivative IUPAC ([2-[(1E, 4E)-5-(2-acetyloxyphenyl)-3-oxopenta-1, 4-dienyl] phenyl] acetate); PubChem CID 5468558 (Lig. No. 4 in this study) as the best candidate among coumarins to inhibit MRP1. This compound binds to NBD1 and NBD2 of ABC transporters via hydrogen bonds shared with residues that are also involved in the ATP binding. This result, if not at all, suggest a partial competitive inhibition mechanism for Lig. No. 4 on the MRP1 protein. Molecular dynamics simulation study reveals different doxorubicin binding modes in interaction with MRP1 transmembrane domain in free and occupied NBDs with Lig. No. 4. Lig. No. 4 is a valuable candidate for further drug development studies to suppress drug resistance.
Comprehensive Energy Balance Analysis of Photon-Enhanced Thermionic Power Generation Considering Concentrated Solar Absorption Distribution
Creators: name: Elahi, A. N. M. Taufiq
name: Ghashami, Mohammad
name: Jensen, Devon
name: Park, Keunhan
Publisher: name: arXiv
Year: 2020
Subjects: subject: Applied Physics (physics.app-ph)
subject: FOS: Physical sciences

description: The present article reports a comprehensive energy balance analysis of a photon-enhanced thermionic emission (PETE) device when it is used for concentrated solar power (CSP) generation. To this end, we consider a realistic PETE device composed of a boron-doped silicon emitter on glass and a phosphorus-doped diamond collector on tungsten separated by the inter-electrode vacuum gap. Depth-dependent spectral solar absorption and its photovoltaic and photothermal energy conversion processes are rigorously calculated to predict the PETE power output and energy conversion efficiency. Our calculation predicts that when optimized, the power output of the considered PETE device can reach 1.6 W/cm$^2$ with the energy conversion efficiency of $\sim$18 \% for 100$\times$ solar concentration, which is substantially lower than those predicted in previous works under ideal conditions. In addition, the photon-enhancement ratio is lower than 10 and decreases with the increasing solar concentration due to the photothermal heating of the emitter, suggesting that PETE may be an adequate energy conversion process for low-to-medium CSP below $\sim$100$\times$ concentration. These observations signify the importance of a rigorous energy balance analysis based on spectral and spatial solar absorption distribution for the accurate prediction of PETE power generation.
description: 31 pages, 7 figures
Grammatical elicitation: Word order with functional morphemes
Creators: name: Gómez, María
name: Dabkowski, Maksymilian
Publisher: name: California Language Archive, University of California, Berkeley
Year: 2021
Subjects: subject: gug

description: Word order of verbs with objects, adverbs, and functional morphemes, including -se, -ve, -ta, -va, -ha, -ramo, -rire.
Plataformas para la docencia en línea: Más allá de la tecnología
Creators: name: García-Peñalvo, F. J.
Publisher: name: Zenodo
Year: 2022
Subjects: Transformación digital; Formación online; Plataformas tecnológicas para la docencia

description: Conferencia invitada en las Xornadas para a Docencia Universitaria, organizadas por la Universidad de Vigo, que se celebraron el 26 de octubre de 2022. En esta conferencia se plantea cómo se percibe la docencia online, especialmente tras la pandemia, ya sea como modalidad docente o como complemento a la modalidad presencial. En un momento en el que se ven sensaciones contrapuestas con relación a la tecnología educativa, se deben evitar las posiciones extremistas tanto tecnófilas como tecnófobas, apostar por una transformación digital de la docencia universitaria centrada en las personas, en la que las tecnologías deben sustentar la evolución del modelo docente de las universidades, pero nunca ir destinadas a sustituir el concepto de Universidad como tal. Las universidades deben seguir teniendo un papel relevante en la sociedad. Para ello, manteniendo su esencia, hay que atender las demandas actuales, pero no puede limitarse a ser una plataforma de aprendizaje, al estilo de otras que se han integrado en el día a día para cambiar por completo otros dominios de negocio.
Testing Quantum Coherence in Stochastic Electrodynamics with Squeezed Schrödinger Cat States
Creators: name: Huang, Wayne Cheng-Wei
name: Batelaan, Herman
Publisher: name: arXiv
Year: 2020
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: The interference pattern in electron double-slit diffraction is a hallmark of quantum mechanics. A long standing question for stochastic electrodynamics (SED) is whether or not it is capable of reproducing such effects, as interference is a manifestation of quantum coherence. In this study, we use excited harmonic oscillators to directly test this quantum feature in SED. We use two counter-propagating dichromatic laser pulses to promote a ground-state harmonic oscillator to a squeezed Schrödinger cat state. Upon recombination of the two well-separated wavepackets, an interference pattern emerges in the quantum probability distribution but is absent in the SED probability distribution. We thus give a counterexample that rejects SED as a valid alternative to quantum mechanics.
A minimum-disturbing quantum state discriminator
Creators: name: Buscemi, Francesco
name: Sacchi, Massimiliano F.
Publisher: name: arXiv
Year: 2006
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We propose two experimental schemes for quantum state discrimination that achieve the optimal tradeoff between the probability of correct identification and the disturbance on the quantum state.
description: 9 pages, 1 figure, OSID style. Submitted to the special issue of "Open Systems and Information Dynamics", Proceedings of the "38th Symposium on Mathematical Physics", Torun, Poland, June 2006
Acceleration and Classical Electromagnetic Radiation
Creators: name: Glass, E. N.
Publisher: name: arXiv
Year: 2008
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: Classical radiation from an accelerated charge is reviewed along with the reciprocal topic of accelerated observers detecting radiation from a static charge. This review commemerates Bahram Mashhoon's 60th birthday.
description: To appear in Gen. Rel. Grav
Migration of Jupiter mass planets in low viscosity discs
Creators: name: Lega, E.
name: Nelson, R. P.
name: Morbidelli, A.
name: Kley, W.
name: Béthune, W.
name: Crida, A.
name: Kloster, D.
name: Méheut, H.
name: Rometsch, T.
name: Ziampras, A.
Publisher: name: arXiv
Year: 2020
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: FOS: Physical sciences

description: Type-II migration of giant planets has a speed proportional to the disc's viscosity for values of the alpha viscosity parameter larger than 1.e-4 . At lower viscosities previous studies, based on 2D simulations have shown that migration can be very chaotic and often characterized by phases of fast migration. The reason is that in low-viscosity discs vortices appear due to the Rossby-wave instability at the edges of the gap opened by the planet. Migration is then determined by vortex-planet interactions. Our aim is to study migration in low viscosity 3D discs. We performed numerical simulations using 2D (including self-gravity) and 3D codes. After selecting disc masses for which self-gravity is not important, 3D simulations without self-gravity can be safely used. In our nominal simulation only numerical viscosity is present. We then performed simulations with prescribed viscosity to assess the threshold below which the new migration processes appear. We show that for alpha viscosity <= 1.e-5 two migration modes are possible which differ from classical Type-II migration, in the sense that they are not proportional to the disc's viscosity. The first occurs when the gap opened by the planet is not very deep. This occurs in 3D simulations and/or when a big vortex forms at the outer edge of the planetary gap, diffusing material into the gap. We call this type of migration "vortex-driven migration". This migration is very slow and cannot continue indefinitely, because eventually the vortex dissolves. The second migration mode occurs when the gap is deep so that the planet's eccentricity grows to a value ~0.2 due to inefficient eccentricity damping by corotation resonances. This second, faster migration mode appears to be typical of 2D models in discs with slower damping of temperature's perturbations.
description: 18 pages, 13 figures
REEEM-D2.1c_Innovation and Technology Roadmap - Energy Efficiency in Buildings
Creators: name: REEEM Project
Publisher: name: Zenodo
Year: 2019

description: In the framework of the REEEM project, three technology and innovation roadmaps are developed to highlight the role of innovation and technologies in the transition pathways toward a low-carbon EU society. The first roadmap was focused on energy storage applications in order to address the need for increasing the flexibility in the European electricity industry. The second roadmap was focused on renewable energy integration, which is necessary in order to meet European targets for 2050. The current report is the third and last roadmap evaluating the role and potential of different technologies in enhancing the energy efficiency of buildings. These technologies have the potential to reduce the energy demand in Europe extensively and are considered themselves even as a source of energy (through energy saving). The findings of this roadmap were consolidated in a stakeholder workshop on 19th March 2019 and the gathered inputs are incorporated in this final version of the roadmap. Part of the analysis in the roadmap is supported by a model-based assessment of the development of District Heating solutions in three European cities (Helsinki, Kaunas and Warsaw) and implication on resource use and energy prices described in a REEEM case study (D4.2). It further links to a study on the drivers of consumers’ choices on heating appliances, carried out through large surveys in three EU countries (D4.1a - The Role of Behaviour and Heterogeneity for the Adoption of Technologies). It finally provides insights on how innovation in energy efficiency measures and technologies may alleviate issues of energy poverty, prominent in some areas in East and South of Europe, as highlighted in another relevant REEEM study. Key indications and technology trends resulting from this report feed into the definition of the REEEM pathways, as described in REEEM D1.2b – Final Integrated Assessment Report. The roadmap is complemented by an Innovation Readiness Level (IRL) report (D2.2c), assessing and evaluate innovation readiness of technologies for improving the energy efficiency of buildings.
Low excitation structure of $^{10}$B probed by scattering of electron and of 197 MeV polarized protons
Creators: name: Amos, K.
name: Karataglidis, S.
name: Kim, Y. J.
Publisher: name: arXiv
Year: 2008
Subjects: subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: Cross-section and analyzing power data from 197 MeV $(p,p')$ scattering and longitudinal and transverse form factors for electron scattering to low lying states in $^{10}$B have been analyzed as tests of the structure of the nuclear states when they are described using a no-core $(0+2)\hbarω$ shell model. While the results obtained from the shell model clearly show the need of other elements, three-body forces in particular, to explain the observed spectrum, the reasonable level of agreement obtained in the analyses of the scattering data suggest that the wavefunctions from our shell model using only a two-body potential are credible. Any changes to the wavefunctions with the introduction of three-body forces in the shell model Hamiltonian should therefore be relatively minor.
description: 25 pages, 18 figures
Additional file 1 of Blood pressure and risk of cancer: a Mendelian randomization study
Creators: name: Chan, Io Ieong
name: Kwok, Man Ki
name: Schooling, C. Mary
Publisher: name: figshare
Year: 2021
Subjects: subject: Medicine
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Biotechnology
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Cancer
subject: Science Policy

description: Additional file 1: Supplementary Figure S1. Mendelian randomization estimates of body mass index on total cancer.
Scintillation time dependence and pulse shape discrimination in liquid argon
Creators: name: Lippincott, W. H.
name: Coakley, K. J.
name: Gastler, D.
name: Hime, A.
name: Kearns, E.
name: McKinsey, D. N.
name: Nikkel, J. A.
name: Stonehill, L. C.
Publisher: name: arXiv
Year: 2008
Subjects: subject: Nuclear Experiment (nucl-ex)
subject: FOS: Physical sciences

description: Using a single-phase liquid argon detector with a signal yield of 4.85 photoelectrons per keV of electronic-equivalent recoil energy (keVee), we measure the scintillation time dependence of both electronic and nuclear recoils in liquid argon down to 5 keVee. We develop two methods of pulse shape discrimination to distinguish between electronic and nuclear recoils. Using one of these methods, we measure a background and statistics-limited level of electronic recoil contamination to be $7.6\times10^{-7}$ between 60 and 128 keV of nuclear recoil energy (keVr) for a nuclear recoil acceptance of 50% with no nuclear recoil-like events above 72 keVr. Finally, we develop a maximum likelihood method of pulse shape discrimination using the measured scintillation time dependence and predict the sensitivity to WIMP-nucleon scattering in three configurations of a liquid argon dark matter detector.
description: 13 pages, 14 figures, Revision 3 (published)
The targum (1951:Mar. 2 - 1951:Mar. 23)
Creators: name: No Name Supplied
Publisher: name: Targum Association
Year: 1951

description: Some University historians indicate that the Targum was first published as an annual in 1867, but of this we have no extant evidence. In January 1869, the Targum as we now know it, made its appearance as a monthly paper that concerned itself with student “literary contributions” and college news as well as serving as a vehicle for bringing news to alumni and the general public. The newspaper, which originally was for sale, varied in frequency over the years as did its title (The Targum, Rutgers Targum, Rutgers Daily Targum, and Daily Targum). The newspaper has continuously been published since 1869 with the exception of 19 months during the second world war, between February 1944 and October 1945. The Targum was published by the students of Rutgers College, and later Rutgers University—New Brunswick represented through the years as the Targum Association, Rutgers Targum Association, and Rutgers College Targum. As a student organization, the Targum operated under the oversight of the dean of students and student government but in October 1980, the Targum became an independent college paper.
Synthesis, crystal structure, cytotoxicity, in-detail experimental and computational CT-DNA interaction studies of 2-picolinate Pd(II) and Pt(II) complexes
Creators: name: Jamgohari, Nasimeh
name: Mansouri-Torshizi, Hassan
name: Dehghanian, Effat
name: Shahraki, Somaye
name: Dusek, Michal
name: Kucerakova, Monika
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Space Science
Medicine
Molecular Biology
Chemical Sciences not elsewhere classified
Cancer

description: A new Pd(II) complex of formula [Pd(en)(2-pyc)]+ (where, en is ethylenediamine and 2-pyc is 2-pyridinecarboxylate anion) and its reported Pt(II) analogue, i.e. [Pt(en)(2-pyc)]+ have been made by an improved synthetic procedure, yielding above 80%. They have been characterized by FT-IR, UV-Vis, 1H NMR, 13C NMR, conductivity and elemental analysis. Single crystal structural determination of [Pt(en)(2-pyc)]+ displayed that the Pt(II) cation in this complex coordinated by 2-pyc and en each as five member chelate resulting in slightly distorted square-planar array. The time-dependent spectroscopic analysis of these compounds in aqueous medium demonstrated their structural stabilities. The cytotoxic activities of Pd(II) and Pt(II) complexes, free 2-pyc and carboplatin (as standard drug) were assayed in-vitro against the HCT-116 and MCF-7 as cancerous and MCF 10 A and CCD-841 as normal cell lines. They showed the IC50 order of: carboplatin > 2-pyc > Pt(II) > Pd(II) and lower activities against non-cancerous cells. CT-DNA binding of the Pd(II), Pt(II) and 2-pyc free ligand were explored individually. In this relation, UV-Vis and fluorescence titrations disclosed quenching of CT-DNA absorption and emissions by the compounds via dynamic mechanism and formation of H-bonds and van der Waals forces between them. The interaction was further validated and verified by viscosity measurements and gel electrophoresis. Partition coefficient determination showed that all three compounds have more lipophilicity than cisplatin. Furthermore, docking analysis and molecular dynamics simulation were done to evaluate the nature of interaction between aforementioned compounds and CT-DNA. The finding results demonstrated that these agents interact with CT-DNA via groove binding and were in agreement with experimental results. Communicated by Ramaswamy H. Sarma
Mathematical properties of nested residues and their application to multi-loop scattering amplitudes
Creators: name: Aguilera-Verdugo, J. Jesus
name: Hernandez-Pinto, Roger J.
name: Rodrigo, German
name: Sborlini, German F. R.
name: Bobadilla, William J. Torres
Publisher: name: arXiv
Year: 2020
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Theory (hep-th)
subject: Mathematical Physics (math-ph)
subject: FOS: Physical sciences

description: The computation of multi-loop multi-leg scattering amplitudes plays a key role to improve the precision of theoretical predictions for particle physics at high-energy colliders. In this work, we focus on the mathematical properties of the novel integrand-level representation of Feynman integrals, which is based on the Loop-Tree Duality (LTD). We explore the behaviour of the multi-loop iterated residues and explicitly show, by developing a general formal proof for the first time, that contributions associated to displaced poles are cancelled out. The remaining residues, called nested residues as originally introduced in Ref. \cite{Verdugo:2020kzh}, encode the relevant physical information and are naturally mapped onto physical configurations associated to nondisjoint on-shell states. By going further on the mathematical structure of the nested residues, we prove that unphysical singularities vanish, and show how the final expressions can be written by using only causal denominators. In this way, we provide a mathematical proof for the all-loop formulae presented in Ref. \cite{Aguilera-Verdugo:2020kzc}.
description: 29 pages + appendices, 11 figures
Patterns of supersymmetry breaking in moduli-mixing racetrack model
Creators: name: Abe, Hiroyuki
Publisher: name: arXiv
Year: 2006
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: We show some structures of moduli stabilization and supersymmetry breaking caused by gaugino condensations with the gauge couplings depending on two moduli which often appear in the four-dimensional effective theories of superstring compactifications.
description: 1+4 pages, 2 figures; Talk given at the 14th International Conference on Supersymmetry and the Unification of Fundamental Interactions (SUSY06), UC Irvine, California, USA, 12-17 June 2006 and the International Workshop on Supersymmetry, Electroweak Symmetry Breaking and Particle Cosmology (Summer Institute 2006), APCTP, Pohang, Korea, 21-30 August 2006