cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Computational investigation of Moringa oleifera phytochemicals targeting EGFR: molecular docking, molecular dynamics simulation and density functional theory studies
Creators: name: Yousaf, Muhammad Abrar
name: Anwer, Sadia Anjum
name: Basheera, Shefin
name: Sivanandan, Sreekumar
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Medicine
Cell Biology
Molecular Biology
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Developmental Biology
Cancer
Computational Biology

description: Epidermal growth factor receptor (EGFR) is a prominent target for anticancer therapy due to its role in activating several cell signaling cascades. Clinically approved EGFR inhibitors are reported to show treatment resistance and toxicity, this study, therefore, investigates Moringa oleifera phytochemicals to find potent and safe anti-EGFR compounds. For that, phytochemicals were screened based on drug-likeness and molecular docking analysis followed by molecular dynamics simulation, density functional theory analysis and ADMET analysis to identify the effective inhibitors of EGFR tyrosine kinase (EGFR-TK) domain. Known EGFR-TK inhibitors (1-4 generations) were used as control. Among 146 phytochemicals, 136 compounds showed drug-likeness, of which Delta 7-Avenasterol was the most potential EGFR-TK inhibitor with a binding energy of −9.2 kcal/mol followed by 24-Methylenecholesterol (–9.1 kcal/mol), Campesterol (–9.0 kcal/mol) and Ellagic acid (–9.0 kcal/mol). In comparison, the highest binding affinity from control drugs was displayed by Rociletinib (–9.0 kcal/mol). The molecular dynamics simulation (100 ns) exhibited the structural stability of native EGFR-TK and protein-inhibitor complexes. Further, MM/PBSA computed the binding free energies of protein complex with Delta 7-Avenasterol, 24-Methylenecholesterol, Campesterol and Ellagic acid as −154.559 ± 18.591 kJ/mol, −139.176 ± 19.236 kJ/mol, −136.212 ± 17.598 kJ/mol and −139.513 ± 23.832 kJ/mol, respectively. Non-polar interactions were the major contributors to these energies. The density functional theory analysis also established the stability of these inhibitor compounds. ADMET analysis depicted acceptable outcomes for all top phytochemicals without displaying any toxicity. In conclusion, this report has identified promising EGFR-TK inhibitors to treat several cancers that can be further investigated through laboratory and clinical tests.
title: Altered States of Embodiment: Spirit Possession in Ethnographic and Feature Films
Creators: name: Anderson, Kevin Taylor
Publisher: name: University of Massachusetts Amherst
Year: 2008
Subjects: subject: Film Studies Anthropology
subject: Spirit Possession
subject: Ethnographic Film
subject: Horror Film
subject: Transhumanism
subject: Cyborg
subject: Anthropology
subject: FOS: Sociology
subject: Broadcast and Video Studies
subject: Communication
subject: Critical and Cultural Studies
subject: Social and Cultural Anthropology

description: Possession and other forms of altered states of embodiment are represented in both feature and ethnographic films, yet result in divergent illustrations. Ethnographic films dealing with possession (a la Rouch, Deren, Adair, Asch) suggest that it is a therapeutic phenomenon, often framed as a means of resistance to dominant socio-political forces. Yet, in feature films the possessed body is rendered as a passive recipient of diabolical forces. In the former case, possession signals empowerment, in the latter disempowerment. In addition to its portrayal as a form of resistance, religious supplicants in such ethnographic films as Rouch’s Les Maitre Fous and Adair’s Holy Ghost People, regard possession as a much-desired corporeal conduit between the physical and the metaphysical. Feature films, such as Friedkin’s The Exorcist and a host of Vampire and Werewolf films, depict altered states of embodiment as malevolently therianthropic, animalistic, or demonic, reinforcing religious fears about body contamination/infection by collapsing the perceived separation between animals and humans. Why is it that possession in film – whether depicted literally or symbolically – produces such a wide gap of representation? Further, it becomes curious to note that in this gap Hollywood rushes in to celebrate altered states derived through technological means. This is not nitpicking over the corruption of ethnographic findings. In fact, early forms of Christianity attempted not to eliminate possession, but rather, to replace “good” with “bad” forms of possession, and it wasn’t’ until the transition from the Middle Ages to the Modern period that possession was regarded as something completely evil (de Certeau). In light of this blurry historical transition my concern is with how contemporary, negative portrayals of altered states of embodiment in feature films coincides with a rise in fundamentalist religious beliefs and with the growing popularity of accepted forms of body alteration, e.g. cybernetic and cosmetic body enhancement. Examination of a range of ethnographic and feature films dealing with possession and other altered states of embodiment illustrates the subtle and profound differences in how possession is portrayed cinematically, and how these varied portrayals are indicative of shifting attitudes towards religious beliefs, contamination, consumerism, and political resistance.
Microwave detected, microwave-optical double resonance of NH3, NH2D, NHD2, and ND3. II. Predissociation dynamics of the A state
Creators: name: Henck, Steven A.
name: Mason, Martin A.
name: Yan, Wen - Bin
name: Lehmann, Kevin K.
name: Coy, Stephen L.
Publisher: name: arXiv
Year: 1994
Subjects: subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences

description: Using microwave detected, microwave-optical double resonance, we have measured the homogeneous linewidths of individual rovibrational transitions in the Ã state of NH3, NH2D, NHD2, and ND3. We have used this excited state spectroscopic data to characterize the height of the dissociation barrier and the mechanisms by which the molecule uses its excess vibrational and rotational energies to help overcome this barrier. To interpret the observed vibronic widths, a one dimensional, local mode potential has been developed along a N-H(D) bond. These calculations suggest the barrier height is roughly 2100cm-1, approximately 1000cm-1 below the ab initio prediction. The observed vibronic dependence of levels containing two or more quanta in nu2 is explained by a Fermi resonance between nu2 and the N-H(D) stretch. This interaction also explains the observed trends due to isotopic substitution. The rotational enhancement of the predissociation rates in the NH3 2(1) level is dominated by Coriolis coupling while for the same level in ND3, centrifugal effects dominate.
description: Submitted to J. Chem. Phys., RevTex, 20 pages, 6 figures
Environmental Education through an Interdisciplinary Approach: The Effects of the Volcanic Eruption of the Puyehue-Cordón Caulle Volcanic Complex on the Landscape of Southern Chile
Creators: name: Villagra, Paula
name: Jaramillo, Eduardo
Publisher: name: Landscape Review
Year: 2012

description: After the 2011 eruption of the Puyehue-Cordón Caulle volcanic complex (PCC) in southern Chile, an exhibition was prepared to show to the general public the findings of academic expeditions in the area affected. This paper discusses the objectives and content of this expedition, as well as the interpretation tools used to prepare it. A volcanic system operates (generally unnoticed) at different times and scales, creating a landscape of great scenic beauty. However, it is also a system that changes dramatically and can become dangerous. The exhibition made these changes visible to the community by using photographs, videos and oral discussions to convey the effects of the eruption on the landscape. The objective was to educate people about the differences between temporal visual effects (which are not always harmful) and others that cannot be observed but can damage the environment and for which we must be prepared. The discussion provides insight into the extent to which interpretation tools and landscape narratives can contribute to a full understanding of the dynamics and changes of natural landscapes.
description: Landscape Review, Vol 14 No 2 (2012): Post-disaster Landscapes
Additional file 7: of Echocardiographic parameters and renal outcomes in patients with preserved renal function, and mild- moderate CKD
Creators: name: Mavrakanas, Thomas
name: Khattak, Aisha
name: Karandeep Singh
name: Charytan, David
Publisher: name: figshare
Year: 2018
Subjects: subject: Space Science
subject: Medicine
subject: Pharmacology
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Marine Biology
subject: Cancer
subject: Computational Biology

description: Table S7. Adjusted associations of echocardiographic parameters with composite renal outcomes and mortality in outpatients (DOCX 16 kb).
Die Erste Stunde (The first hour)
Creators: name: Rafelski, Johann
Publisher: name: arXiv
Year: 2018
Subjects: subject: History and Philosophy of Physics (physics.hist-ph)
subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: I recall my "first hour" events following on my meeting in Fall 1968 in the classroom with my academic teacher and thesis mentor Prof. Dr. Dr. h.c. multiple Walter Greiner. My comments focus on the creation of the new "strong fields" domain of physics in Frankfurt. I argue that this was the research field closest to Walter's heart during his lustrous academic career. I will describe the events that lead on to Greiner's course books, Walters actions leading to the rise of Frankfurt School of Theoretical Physics, and show how a stability principle defined his science.
description: 18+ pages including 9 pictures/figures
Investigation of Zika virus methyl transferase inhibitors using steered molecular dynamics
Creators: name: Rabaan, Ali A.
name: AlShehail, Bashayer M.
name: Halwani, Muhammad A.
name: Alshengeti, Amer
name: Najim, Mustafa A.
name: Garout, Mohammed
name: Bajunaid, Huda A.
name: Alshamrani, Saleh A.
name: Al Fares, Mona A.
name: Alissa, Mohammed
name: Alwashmi, Ameen S. S.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Medicine
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: Zika virus (ZIKV) spread is considered a major public health threat by the World Health Organization (WHO). There are no vaccines or drugs available to control the infection of the Zika virus, therefore a highly effective medicinal molecule is urgently required. In this study, a computationally intensive investigation was performed to identify a potent natural compound that could inhibit the ZIKV NS5 methyltransferase. This research approach is based on target-based drug identification principles where the native inhibitor SAH (S-adenosylhomocysteine) of ZIKV NS5 methyltransferase was selected as a reference. High-throughput virtual screening and tanimoto similarity coefficient were applied to the natural compound library for ranking the potential candidates. The top five compounds were selected for interaction analysis, MD simulation, total binding free energy through MM/GBSA, and steered MD simulation. Among these compounds, Adenosine 5'-monophosphate monohydrate, Tubercidin, and 5-Iodotubercidin showed stable binding to the protein compared to the native compound, SAH. These three compounds also showed less fluctuations in RMSF in contrast to native compound. Additionally, the same interacting residues observed in SAH also made strong interactions with these three compounds. Adenosine 5'-monophosphate monohydrate and 5-Iodotubercidin had greater total binding free energies than the reference ligand. Moreover, the dissociation resistance of all three compounds was equivalent to that of the reference ligand. This study suggested binding properties of three-hit compounds that could be used to develop drugs against Zika virus infections. Communicated by Ramaswamy H. Sarma
MOESM5 of Whole-genome SNP analysis elucidates the genetic structure of Russian cattle and its relationship with Eurasian taurine breeds
Creators: name: Sermyagin, Alexander
name: Dotsev, Arsen
name: Gladyr, Elena
name: Traspov, Alexey
name: Deniskova, Tatiana
name: Kostyunina, Olga
name: Reyer, Henry
name: Wimmers, Klaus
name: Barbato, Mario
name: Paronyan, Ivan
name: Plemyashov, Kirill
name: SĂślkner, Johann
name: Popov, Ruslan
name: Brem, Gottfried
name: Zinovieva, Natalia
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Evolutionary Biology
subject: Ecology
subject: 69999 Biological Sciences not elsewhere classified

description: Additional file 5: Table S3. Pairwise Wright fixation index (FST). This table provides the values of Wrightâ s fixation index (FST) at pairwise comparisons between the nine Russian cattle breeds and worldwide reference breeds. For the full definition of breeds, see Tables S1 and S2 [see Additional file 1: Table S1 and Additional file 2: Table S2].
Entropy in Black Hole Pair Production
Creators: name: Garfinkle, D.
name: Giddings, S. B.
name: Strominger, A.
Publisher: name: arXiv
Year: 1993
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: Pair production of Reissner-Nordstrom black holes in a magnetic field can be described by a euclidean instanton. It is shown that the instanton amplitude contains an explicit factor of $e^{A/4}$, where $A$ is the area of the event horizon. This is consistent with the hypothesis that $e^{A/4}$ measures the number of black hole states.
description: 24 pages (harvmac l mode)
Large-Scale Fabrication of RF MOSFETs on Liquid-Exfoliated MoS2
Creators: name: Xiong, Kuanchen
name: Li, Lei
name: Madjar, Asher
name: Hwang, James C. M.
name: Lin, Zhaoyang
name: Huang, Yu
name: Duan, Xiangfeng
name: Goritz, Alexander
name: Wietstruck, Matthias
name: Kaynak, Mehmet
Publisher: name: arXiv
Year: 2018
Subjects: subject: Applied Physics (physics.app-ph)
subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: For the first time, thousands of RF MOSFETs were batch-fabricated on liquid-exfoliated MoS2 below 300 °C with nearly 100% yield. The large-scale fabrication with high yield allowed the average performance instead of the best performance to be reported. The DC performance of these devices were typical, but the RF performance, enabled by buried gates and on the order of 100 MHz, was reported for the first time for liquid-exfoliated MoS2. To resolve the dilemma of thin vs. thick films, gate recess was used on 20-nm thick films to improve the gate control while keeping the contact resistance lower than that on 10-nm films. These innovations may enable thin-film transistors to operate in the microwave range.
A New Technique for Measuring the Strangemess Content of the Proton on the Lattice
Creators: name: Mandula, Jeffrey E.
name: Ogilvie, Michael C.
Publisher: name: arXiv
Year: 1992
Subjects: subject: High Energy Physics - Lattice (hep-lat)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: A new technique for computing the strangeness content of the proton on the lattice is described. It is applied to the calculation of the strange quark contribution to the proton's spin, specifically to the evaluation of the proton matrix element of the strange quark axial current. Preliminary results are not in disagreement with the EMC experiment. NOTE: This paper is available only in postscript form.
description: 8 pages, figures included in the text, all in postscript
Genesis of magnetic fields in isolated white dwarfs
Creators: name: Briggs, Gordon P.
name: Ferrario, Lilia
name: Tout, Christopher A.
name: Wickramasinghe, Dayal T.
Publisher: name: arXiv
Year: 2018
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: A dynamo mechanism driven by differential rotation when stars merge has been proposed to explain the presence of strong fields in certain classes of magnetic stars. In the case of the high field magnetic white dwarfs (HFMWDs), the site of the differential rotation has been variously thought to be the common envelope, the hot outer regions of a merged degenerate core or an accretion disc formed by a tidally disrupted companion that is subsequently accreted by a degenerate core. We have shown previously that the observed incidence of magnetism and the mass distribution in HFMWDs are consistent with the hypothesis that they are the result of merging binaries during common envelope evolution. Here we calculate the magnetic field strengths generated by common envelope interactions for synthetic populations using a simple prescription for the generation of fields and find that the observed magnetic field distribution is also consistent with the stellar merging hypothesis. We use the Kolmogorov-Smirnov test to study the correlation between the calculated and the observed field strengths and find that it is consistent for low envelope ejection efficiency. We also suggest that field generation by the plunging of a giant gaseous planet on to a white dwarf may explain why magnetism among cool white dwarfs (including DZ white dwarfs) is higher than among hot white dwarfs. In this picture a super Jupiter residing in the outer regions of the planetary system of the white dwarf is perturbed into a highly eccentric orbit by a close stellar encounter and is later accreted by the white dwarf.
description: 8 pages, 5 figures, accepted for publication in MNRAS
Structural and functional characterization of 6-phosphogluconate dehydrogenase in Plasmodium falciparum (3D7) and identification of its potent inhibitors
Creators: name: Karthika, Alagesan
name: Hemavathy, Nagarajan
name: Amala, Mathimaran
name: Rajamanikandan, Sundaraj
name: Veerapandian, Malaisamy
name: Prabhu, Dhamodharan
name: Vetrivel, Umashankar
name: Cheng, Chun Jung
name: Pandian, Chitra Jeyaraj
name: Jeyakanthan, Jeyaraman
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Pharmacology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer
Computational Biology

description: The malarial parasite Plasmodium falciparum predominantly causes severe malaria and deaths worldwide. Moreover, resistance developed by P. falciparum to frontline drugs in recent years has markedly increased malaria-related deaths in South Asian Countries. Ribulose 5-phosphate and NADPH synthesized by Pentose Phosphate Pathway (PPP) act as a direct precursor for nucleotide synthesis and P. falciparum survival during oxidative challenges in the intra-erythrocytic growth phase . In the present study, we have elucidated the structure and functional characteristics of 6-phosphogluconate dehydrogenase (6PGD) in P. falciparum and have identified potent hits against 6PGD by pharmacophore-based virtual screening with ZINC and ChemBridge databases. Molecular docking and Molecular dynamics simulation, binding free energies (MMGBSA & MMPBSA), and Density Functional Theory (DFT) calculations were integratively employed to validate and prioritize the most potential hits. The 6PGD structure was found to have an open and closed conformation during MD simulation. The apo form of 6PGD was found to be in closed conformation, while a open conformation attributed to facilitating binding of cofactor. It was also inferred from the conformational analysis that the small domain of 6PGD has a high influence in altering the conformation that may aid in open/closed conformation of 6PGD. The top three hits identified using pharmacophore hypotheses were ChemBridge_11084819, ChemBridge_80178394, and ChemBridge_17912340. Though all three hits scored a high glide score, MMGBSA, and favorable ADMET properties, ChemBridge_11084819 and ChemBrdige_17912340 showed higher stability and binding free energy. Moreover, these hits also featured stable H-bond interactions with the active loop of 6PGD with binding free energy comparable to substrate-bound complex. Therefore, the ChemBridge_11084819 and ChemBridge_17912340 moieties demonstrate to have high therapeutic potential against 6PGD in P. falciparum. Communicated by Ramaswamy H. Sarma
Targeting the Pseudomonas aeruginosa quorum sensing system to inhibit virulence factors and eradicate biofilm formation using AHL-analogue phytochemicals
Creators: name: Shastry, Rajesh P.
name: Abhinand, Chandran S.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: Quorum sensing plays a major role in the expression of virulence and development of biofilm in the human pathogen Pseudomonas aeruginosa. Natural compounds are well-known for their antibacterial characteristics by blocking various metabolic pathways. The goal of this study is to find natural compounds that mimic AHL (Acyl homoserine lactone) and suppress virulence in P. aeruginosa, which is triggered by quorum sensing-dependent pathways as an alternative drug development strategy. To support this rationale, functional network analysis and in silico investigations were carried out to find natural AHL analogues, followed by molecular docking studies. Out of the 16 top-hit AHL analogues derived from phytochemicals, seven ligands were found to bind to the quorum sensing activator proteins. Cassialactone, an AHL analogue, exhibited the highest binding affinity for RhlI, RhlR, and PqsE of P. aeruginosa, with a docking score of −9.4, −8.9, and −8.7 kcal/mol, respectively. 2(5H)-Furanone, a well-known inhibitor, was also docked to compare the docking score and intermolecular interactions between the ligand and the target protein. Furthermore, molecular dynamics simulations and binding free energy calculations were performed to determine the stability of the docked complexes. Additionally, the ADME properties of the analogues were also analyzed to evaluate the pharmacological parameters. Functional network analysis further showed that the interconnectedness of proteins such as RhlI, RhlR, LasI, and PqsE with the virulence and biofilm phenotype of the pathogen could offer potential as a therapeutic target. Communicated by Ramaswamy H. Sarma
Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies
Creators: name: Mathada, Basavarajaiah Suliphuldevara
name: Basha, N. Jeelan
name: Javeed, Mohammad
name: Karunakar, Prashantha
name: Venkatesulu, Adavala
name: Erappa, Krishnakanth
name: Varsha, A.
Publisher: name: Taylor & Francis
Year: 2023
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

description: Pyrimidine and its derivatives are associated with varieties of biological properties. Therefore, we herein reported the synthesis of four novel pyrimidines (2, 3, and 4a, b) derivatives. The structure of these molecules is confirmed by spectroscopic methods such as IR, NMR, and Mass analysis. The electronic behavior of synthesized compounds 4a, b and in silico drug design 4 c, d was explained by Density Functional Theory estimations at the DFT/B3LYP level via 6-31 G++ (d, p) replicates the structure and geometry. All the synthesized compounds were screened for their in vitro COX-1 and COX-2 inhibitory activity compared to standards Celecoxib and Ibuprofen. Compounds 3 and 4a afforded excellent COX-1 and COX-2 inhibitory activities at IC50 = 5.50 and 5.05 μM against COX-1, 0.85 and 0.65 μM against COX-2, respectively. The standard drugs Celecoxib and Ibuprofen showed inhibitory activity at IC50 = 6.34 and 3.1 μM against COX-1, 0.56 and 1.2 μM against COX-2, respectively. Further, these compounds showed high potential docking with SARS-CoV-2 Omicron protease & COX-2 and predicted drug-likeness for the pyrimidine analogs by using Molinspiration. The protein stability, fluctuations of APO–protein, protein–ligand complexes were investigated through Molecular Dynamics simulations studies using Desmond Maestro 11.3 and potential lead molecules were identified. Communicated by Ramaswamy H. Sarma
Reaction Mechanism of the Selective Reduction of CO$_2$ to CO by a Tetraaza [Co$^\text{II}$N$_4$H]$^{2+}$ Complex in the Presence of Protons
Creators: name: Garza, Alejandro J.
name: Pakhira, Srimanta
name: Bell, Alexis T.
name: Mendoza-Cortes, Jose L.
name: Head-Gordon, Martin
Publisher: name: arXiv
Year: 2018
Subjects: subject: Chemical Physics (physics.chem-ph)
subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: The tetraaza [Co$^\text{II}$N$_4$H]$^{2+}$ complex (\textbf{1}) is remarkable for its ability to selectively reduce CO$_2$ to CO with 45\% Faradaic efficiency and a CO to H$_2$ ratio of 3:2. We employ density functional theory (DFT) to determine the reasons behind the unusual catalytic properties of \textbf{1} and the most likely mechanism for CO$_2$ reduction. The selectivity for CO$_2$ over proton reduction is explained by analyzing the catalyst's affinity for the possible ligands present under typical reaction conditions: acetonitrile, water, CO$_2$, and bicarbonate. After reduction of the catalyst by two electrons, formation of [Co$^\text{I}$N$_4$H]$^{+}$-CO$_{2}^{-}$ is strongly favored. Based on thermodynamic and kinetic data, we establish that the only likely route for producing CO from here consists of a protonation step to yield [Co$^\text{I}$N$_4$H]$^{+}$-CO$_{2}$H, followed by reaction with CO$_2$ to form [Co$^\text{II}$N$_4$H]$^{2+}$-CO and bicarbonate. This conclusion corroborates the idea of a direct role of CO$_2$ as a Lewis acid to assist in {C-O} bond dissociation, a conjecture put forward by other authors to explain recent experimental observations. The pathway to formic acid is predicted to be forbidden by high activation barriers, in accordance with the products that are known to be generated by \textbf{1}. Calculated physical observables such as standard reduction potentials and the turnover frequency for our proposed catalytic cycle are in agreement with available experimental data reported in the literature. The mechanism also makes a prediction that may be experimentally verified: that the rate of CO formation should increase linearly with the partial pressure of CO$_2$.
description: 8 pages, 2 figures
Shades of Grey: The Role of the Sublime in the Memorial to the Murdered Jews of Europe
Creators: name: Baptist, Karen Wilson
Publisher: name: Landscape Review
Year: 2012

description: As a ‘post-disaster’ landscape, the Memorial to the Murdered Jews of Europe does, arguably, occupy ground where the mass extermination of the Jewish people of Europe was masterminded, but it is not physically a site of death. Commonly, memorial landscapes are erected upon the location where violence, tragedy and disaster have occurred. Divorced from the diasporic dead it seeks to honour, the memorial employs spatial form, the surrounding atmosphere and human memory to potentialise a sublime experience for visitors. The sublime plays an essential role in memorial landscapes because sublime experiences are heightened, unforgettable and enduring. This reduces the possibility that visitors will depart the memorial unscathed, leaving the monument to bear the burden of memory. While a sublime experience can be optimised, it cannot be given, thus, the onus of remembering the Holocaust remains our responsibility.
description: Landscape Review, Vol 14 No 2 (2012): Post-disaster Landscapes
Recovering Place: On the Agency
Creators: name: Langhorst, Joern
Publisher: name: Landscape Review
Year: 2012

description: Based on the author’s ongoing involvement in the recovery after hurricane Katrina in New Orleans, and the Lower Ninth Ward neighbourhood in particular, this paper discusses the implications of alternative strategies and tactics involved in the recovery, restoration and rebuilding of post-disaster landscapes. It emphasises that the recovery and rebuilding of community is as important as physical restoration. The empowerment of disaster-affected communities is posited as a central element, in particular, because disasters often reveal long-standing underlying dysfunctions and uneven development patterns as important factors disproportionally affecting communities that were already victimised and marginalised. Design and planning approaches that gain the trust of local residents can reveal hidden, suppressed and alternative narratives and histories central to understanding the processes leading up to the disaster and to the development of viable and sustainable future scenarios. The active participation of traumatised communities is critical to an inclusive discourse on their future, allowing them to become co-authors of the landscapes and places they inhabit instead of victims of hegemonial agendas that created pre-disaster conditions in the first place. The paper discusses a modest spatial intervention in the Lower Ninth Ward and its impacts as an example of the agency of landscape in processes of cultural change. It discusses the instrumentality of a truly public space in a critical location in asserting the viability of a post-disaster neighbourhood and in changing the discourses on human–environment relationships to facilitate a sustainable future in a landscape shaped by challenging social and environmental dynamics.
description: Landscape Review, Vol 14 No 2 (2012): Post-disaster Landscapes
Large-dimensional behavior of regularized Maronna's M-estimators of covariance matrices
Creators: name: Auguin, Nicolas
name: Morales-Jimenez, David
name: McKay, Matthew R.
name: Couillet, Romain
Publisher: name: arXiv
Year: 2018
Subjects: subject: Statistics Theory (math.ST)
subject: FOS: Mathematics

description: Robust estimators of large covariance matrices are considered, comprising regularized (linear shrinkage) modifications of Maronna's classical M-estimators. These estimators provide robustness to outliers, while simultaneously being well-defined when the number of samples does not exceed the number of variables. By applying tools from random matrix theory, we characterize the asymptotic performance of such estimators when the numbers of samples and variables grow large together. In particular, our results show that, when outliers are absent, many estimators of the regularized-Maronna type share the same asymptotic performance, and for these estimators we present a data-driven method for choosing the asymptotically optimal regularization parameter with respect to a quadratic loss. Robustness in the presence of outliers is then studied: in the non-regularized case, a large-dimensional robustness metric is proposed, and explicitly computed for two particular types of estimators, exhibiting interesting differences depending on the underlying contamination model. The impact of outliers in regularized estimators is then studied, with interesting differences with respect to the non-regularized case, leading to new practical insights on the choice of particular estimators.
description: 15 pages, 6 figures
Faraday lines and observables for the Einstein-Maxwell theory
Creators: name: Husain, Viqar
Publisher: name: arXiv
Year: 1993
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: In recent work on Einstein gravity in four dimensions using the Ashtekar variables, non-local loop variables have played an important role in attempts to formulate a quantum theory. The introduction of such variables is guided by gauge invariance, and here an infinite set of loop variables is introduced for the Hamiltonian form of the Einstein-Maxwell theory. The loops that enter the description naturally are the (source free) electric field lines. These variables are invariant under spatial diffeomorphisms and they also form a closed Poisson algebra. As such they may be useful for quantization attempts and for studying classical solutions.
description: 8 pages, Alberta-Thy-30-93 (RevTeX)
The triviality bound on the Higgs mass; its value and what it means
Creators: name: Neuberger, H.
name: Heller, U. M.
name: Klomfass, M.
name: Vranas, P.
Publisher: name: arXiv
Year: 1992
Subjects: subject: High Energy Physics - Lattice (hep-lat)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: Older lattice work exploring the Higgs mass triviality bound is briefly reviewed. It indicates that a strongly interacting scalar sector in the minimal standard model cannot exist; on the other hand low energy QCD phenomenology might be interpreted as an indication that it could. We attack this puzzle using the $1/N$ expansion and discover a simple criterion for selecting a lattice action that is more likely to produce a heavy Higgs particle. Depending on the precise form of the limitation put on the cutoff effects, our large $N$ calculations, when combined with old numerical data, suggest that the Higgs mass bound might be around 750 $GeV$, which is higher than the $\sim 650~GeV$ previously obtained. Preliminary numerical work indicates that an increase of at least 19\% takes place at $N=4$ on the $F_4$ lattice when the old simple action is replaced with a new action (still containing only nearest neighbor interactions) if one uses the lattice spacing as the physical cutoff for both actions. It appears that, while a QCD like theory could produce $M_H / F ~ \sim 6$, a meaningful ``minimal elementary Higgs'' theory cannot have $M_H/ F~ \gtapprox 3$. Still, even at 750 $GeV$, the Higgs particle is so wide ($\sim 290~$GeV), that one cannot argue any more that the scalar sector is weakly coupled.
description: 8 pages. Latex file with 4 ps figures included. Preprint RU-92-22, SCRI-92-114
Additional file 6: of Antimicrobial potentiality of actinobacteria isolated from two microbiologically unexplored forest ecosystems of Northeast India
Creators: name: Ranjita Das
name: Wahengbam Romi
name: Rictika Das
name: Hridip Sharma
name: Debajit Thakur
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Space Science
subject: Microbiology
subject: FOS: Biological sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: 69999 Biological Sciences not elsewhere classified
subject: Inorganic Chemistry

description: Figure S4. â Mass spectra of (A) nalidixic acid (B) flumequine present in PWS52 extract, (C) standard nalidixic acid (m/z : 233.09) in positive mode and (D) standard nalidixic acid (m/z: 231.08) in negative mode.â (PDF 1499 kb)
title: ADCO, Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Cart. 32 (G 136), 745 folios, f. 0992
Creators: name: de la Côte d'Or, Archives départementales
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: CG21/F.PETOT/2012
name: Petot, Frédéric
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: cartulaire
subject: Corpus Burgundiae Medii Aevi
subject: Chartes de la Bourgogne du Moyen Âge
subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris

description: Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Archives départementales de la Côte-d'Or, Cart. 32 (G 136), 745 folios, f. 0992, Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Archives départementales de la Côte-d'Or, Cart. 32 (G 136), 745 folios, f. 0992, in Projet CBMA - Corpus Burgundiae Medii Aevi [Ressource en ligne], https:// manuscrits.cbma-project.eu/
description: Provenance: abbaye Saint-Étienne de Dijon
description: Provenance: http://www.wikidata.org/entity/Q15945019
MOESM1 of Comparing 16S rDNA amplicon sequencing and hybridization capture for pea aphid microbiota diversity analysis
Creators: name: Cariou, Marie
name: Ribière, Céline
name: Morlière, Stéphanie
name: Gauthier, Jean-Pierre
name: Jean-Christophe Simon
name: Peyret, Pierre
name: Charlat, Sylvain
Publisher: name: figshare
Year: 2018
Subjects: subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Ecology
subject: 69999 Biological Sciences not elsewhere classified
subject: Plant Biology

description: Additional file 1: Table S1. Primers used for quantitative PCR.
Open Questions in Classical Gravity
Creators: name: Mannheim, Philip D.
Publisher: name: arXiv
Year: 1993
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: We discuss some outstanding open questions regarding the validity and uniqueness of the standard second order Newton-Einstein classical gravitational theory. On the observational side we discuss the degree to which the realm of validity of Newton's Law of Gravity can actually be extended to distances much larger than the solar system distance scales on which the law was originally established. On the theoretical side we identify some commonly accepted but actually still open to question assumptions which go into the formulating of the standard second order Einstein theory in the first place. In particular, we show that while the familiar second order Poisson gravitational equation (and accordingly its second order covariant Einstein generalization) may be sufficient to yield Newton's Law of Gravity they are not in fact necessary. The standard theory thus still awaits the identification of some principle which would then make it necessary too. We show that current observational information does not exclusively mandate the standard theory, and that the conformal invariant fourth order theory of gravity considered recently by Mannheim and Kazanas is also able to meet the constraints of data, and in fact to do so without the need for any so far unobserved non-luminous or dark matter.
description: UCONN-93-1, plain TeX format, 22 pages (plus 7 figures - send requests to mannheim@uconnvm.bitnet). To appear in a special issue of Foundations of Physics honoring Professor Fritz Rohrlich on the occasion of his retirement, L. P. Horwitz and A. van der Merwe Editors, Plenum Publishing Company, N.Y., Fall 1993
Joint ECOTIP FACE-IT CHARTER factsheet on environmental economics
Creators: name: GRID-Arendal
Publisher: name: Zenodo
Year: 2024
Subjects: Arctic
environmental
economics

description: A factsheet presenting the joint results and research gaps identified by the H2020-funded ECOTIP, FACE-IT and CHARTER EU projects on how biodiversity changes on land, coasts and in the ocean affect environmental economics in the Arctic.
When Disasters are a Part of Home: The Hakka Community’s Rootedness and Resilience to Periodic Landslides in Shenmu Village
Creators: name: Chan, Shenglin Elijah
name: Huang, Pochun
Publisher: name: Landscape Review
Year: 2012

description: ...
description: Landscape Review, Vol 14 No 2 (2012): Post-disaster Landscapes
Synthesis, spectral characterisation, biocidal investigation, in-silico and molecular docking studies of 4-[(2-chloro-4-methylphenyl)carbamoyl]butanoic acid derived triorganotin(IV) compounds
Creators: name: Hanifa, Bibi
name: Bibi, Naila
name: Sirajuddin, Muhammad
name: Tiekink, Edward R. T.
name: Kubicki, Maciej
name: Khan, Ishaq
name: Bari, Ahmed
name: Wadood, Abdul
name: Shams, Sulaiman
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified

description: Three triorganotin(IV) compounds, R3Sn(L), with R = CH3 (1), n-C4H9 (2) and C6H5 (3), and LH = 4-[(2-chloro-4-methylphenyl)carbamoyl]butanoic acid, were prepared and confirmed by various techniques. A five-coordinate, distorted trigonal-bipyramidal geometry was elucidated for tin(IV) centres both in solution and solid states. An intercalation mode was confirmed for the compound SS-DNA interaction by UV-visible, viscometric techniques and molecular docking. MD simulation revealed stable binding of LH with SS-DNA. Anti-bacterial investigation revealed 2 to be generally the most potent, especially against Sa and Ab, i.e. having the lowest MIC values (≤0.25 μg/mL) compared to the standard anti-biotics vancomycin-HCl (MIC = 1 μg/mL) and colistin-sulphate (MIC = 0.25 μg/mL). Similarly, the anti-fungal profile shows 2 exhibits 100% inhibition against Ca and Cn fungal strains and has MIC values (≤0.25 μg/mL) comparatively lower than standard drug fluconazole (0.125 and 8 μg/mL for Ca and Cn, respectively). Compound 2 has the greatest activity with CC50 ≤ 25 μg/mL and HC50 > 32 μg/mL performed against HEC239 and RBC cell lines. The anti-cancer potential was assessed against the MG-U87 cell line, using cisplatin as the standard (133 µM), indicates 2 displays the greatest activity (IC50: 5.521 µM) at a 5 µM dose. The greatest anti-leishmanial potential was observed for 2 (87.75 at 1000 μg/mL) in comparison to amphotericin B (90.67). The biological assay correlates with the observed maximum of 89% scavenging activity exhibited by 2. The Swiss-ADME data publicised the screened compounds generally follow the rule of 5 of drug-likeness and have good bioavailability potential. Communicated by Ramaswamy H. Sarma
Decuplet Baryon Structure from Lattice QCD
Creators: name: Leinweber, Derek B.
name: Draper, Terrence
name: Woloshyn, R. M.
Publisher: name: arXiv
Year: 1992
Subjects: subject: High Energy Physics - Lattice (hep-lat)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: The electromagnetic properties of the SU(3)-flavor baryon decuplet are examined within a lattice simulation of quenched QCD. Electric charge radii, magnetic moments, and magnetic radii are extracted from the E0 and M1 form factors. Preliminary results for the E2 and M3 moments are presented giving the first model independent insight to the shape of the quark distribution in the baryon ground state. As in our octet baryon analysis, the lattice results give evidence of spin-dependent forces and mass effects in the electromagnetic properties. The quark charge distribution radii indicate these effects act in opposing directions. Some baryon dependence of the effective quark magnetic moments is seen. However, this dependence in decuplet baryons is more subtle than that for octet baryons. Of particular interest are the lattice predictions for the magnetic moments of $Ω^-$ and $Δ^{++}$ for which new recent experimental measurements are available. The lattice prediction of the $Δ^{++}/p$ ratio appears larger than the experimental ratio, while the lattice prediction for the $Ω^-/p$ magnetic moment ratio is in good agreement with the experimental ratio.
description: RevTeX manuscript, 34 pages plus 21 figures (available upon request)
Spotting Stellar Activity Cycles in Gaia Astrometry
Creators: name: Morris, Brett M.
name: Agol, Eric
name: Davenport, James R. A.
name: Hawley, Suzanne L.
Publisher: name: arXiv
Year: 2018
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: Astrometry from Gaia will measure the positions of stellar photometric centroids to unprecedented precision. We show that the precision of Gaia astrometry is sufficient to detect starspot-induced centroid jitter for nearby stars in the Tycho-Gaia Astrometric Solution (TGAS) sample with magnetic activity similar to the young G-star KIC 7174505 or the active M4 dwarf GJ 1243, but is insufficient to measure centroid jitter for stars with Sun-like spot distributions. We simulate Gaia observations of stars with 10 year activity cycles to search for evidence of activity cycles, and find that Gaia astrometry alone likely can not detect activity cycles for stars in the TGAS sample, even if they have spot distributions like KIC 7174505. We review the activity of the nearby low-mass stars in the TGAS sample for which we anticipate significant detections of spot-induced jitter.
description: Accepted for publication in MNRAS, Feb 27, 2018
Rapid Visual Site Analysis for Post-disaster Landscape Planning: Expanding the Range of Choice in a Tsunami-affected Town in Japan
Creators: name: Wescoat, James
name: Kanda, Shun
Publisher: name: Landscape Review
Year: 2012

description: Problem statement In post-disaster situations, it is often necessary to undertake rapid visual site reconnaissance to characterise patterns of damage and identify reconstruction opportunities and constraints. Rapid visual site analysis can occur over a period of hours to days rather than weeks to months. The time constraint is often necessary to assess the viability of initial reconstruction scenarios and help broaden the range of choice among site planning options. Rapid assessment can also minimise the use of scarce local post-disaster resources during the initial reconnaissance phases of planning. Because it involves visual methods rather than equipment-intensive survey techniques, it serves as an initial scoping of alternatives. It may follow emergency shelter response planning methods (for example, Sphere Project, 2011, ch 4) and be followed by more comprehensive site mapping and screening. This action–research project reviews the literature on post-disaster site analysis with an emphasis on the tsunami-affected area of north-eastern Japan. Because research on rapid visual site analysis in post-disaster contexts is limited, we combined field-based site analysis methods, adapted for post-disaster planning, with visual methods for assessing seismic and tsunami hazards.
description: Landscape Review, Vol 14 No 2 (2012): Post-disaster Landscapes
Gauge fields on Riemann-Cartan space-times
Creators: name: Saa, Alberto
Publisher: name: arXiv
Year: 1993
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: Gauge fields are described on an Riemann-Cartan space-time by means of tensor-valued differential forms and exterior calculus. It is shown that minimal coupling procedure leads to a gauge invariant theory where gauge fields interact with torsion, and that consistency conditions for the gauge fields impose restrictions in the non-Riemannian structure of space-time. The new results differ from the well established ones obtained by using minimal coupling procedure at the action formulation. The sources of these differences are pointed out and discussed.
description: 16 pages, IFUSP/P-1031