cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
title: Realization of a reinforced SPI façade: Direction-dependent material properties and durability assessment
Creators: name: Weger, Daniel
name: Gartner, Benjamin
name: Rausch, Anne
name: Schießl-Pecka, Angelika
name: Gallmetzer, Andreas
Publisher: name: Universitätsbibliothek Braunschweig
Year: 2024
Subjects: subject: particle-bed binding
subject: selective paste intrusion
subject: material properties
subject: reinforcement
subject: durability
subject: 62

description: The additive manufacturing method Selective Paste Intrusion (SPI) describes a particle-bed binding technology which uses cement paste to bind thin layers of aggregate. SPI allows to produce components complex in shape without needing support structures, e.g. façade elements. Façade elements should also be lightweight and translucent, but they subject to high flexural loads which means they need to be reinforced. They are also exposed to severe weathering and need to be correspondingly durable. Reinforced elements must therefore have sufficient concrete cover to ensure load transfer into the concrete and sufficient resistance to corrosion. This preliminary study investigates the material properties (compressive/flexural strength and E-modulus) of SPI components produced using a large scale printer and a CEM II/A-S cement as binder. The compressive strength and E-modulus values showed an isotopic behaviour. The flexural strength exhibited an anisotropic behaviour but only in one direction by a load introduction parallel to the layers. In addition, the durability properties concerning reinforcement corrosion due to chlorides were determined. A durability assessment was carried out to provide information on the required concrete cover in combination with selected reinforcement materials. The chloride migration coefficients of SPI material were comparable to those of casted concrete of the same binder type and w/c-ratio. A dependence on the ratio of test direction to printing direction could be determined. For the realisation of low concrete covers the use of reinforcement with a high Ccrit value is expedient. Summarized this study showed that SPI is suitable for the production of durable, reinforced, filigree façade elements when the printing direction, exposure direction, reinforcing materials and concrete cover are coordinated.
description: Digital Concrete 2024 - Supplementary Proceedings
War Diary of 1st Battalion Canadian Scottish Regiment, Vol. 63 - Appendix 03
Creators: name: Canada. Canadian Army. Canadian Scottish Regiment (Princess Mary's)
Publisher: name: University of Victoria Libraries
Year: 2020
Subjects: subject: Canada. Canadian Army. Canadian Scottish Regiment (Princess Mary's)
subject: War diaries
valueUri: http://id.worldcat.org/fast/1745536
subject: Canada. Canadian Army
valueUri: http://id.worldcat.org/fast/531187
subject: World War (1939-1945)
valueUri: http://id.worldcat.org/fast/1180924

description: This appendix consists of USO's security notes No. 10 on November 8, 1944 that encourages an increase in good security measures and notes on a conversation with Maj-Gen Ederding a captured German soldier on November 1, 1944 about recent activities.
Inclusive production of X$\rightarrow b\bar{b}$ plus a recoil for the LHC Run-II
Creators: name: Gutierrez, Nicolas
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: This letter presents a study of the inclusive production of X$\rightarrow b\bar{b}$ plus a recoil, using simulated samples of $pp$ collisions at $\sqrt{s}=14$ TeV for an integrated luminosity in the range between 30 fb$^{-1}$ to 3 ab$^{-1}$. The case for experiments to include un-prescaled $b$-tag multijet triggers for this topology is made and the ideal jet thresholds are discussed. The sensitivity to Standard Model Higgs with a transverse momentum of at least 200 GeV is evaluated with respect to a continuous background, dominated by multijet processes. The mass of $b$-jet-pairs is analysed, quoting sensitivity to cross-sections in the range of 1 to 2 pb, for 100 fb$^{-1}$, covering the Higgs production cross section of 1.8 pb. The trigger strategy presented in this letter is compared to triggers already in use, showing an increase on the signal efficiency for masses below 200 GeV and a performance comparable to a logic OR of all the currently available akin triggers for higher masses. The robustness of the expected sensitivity against systematic uncertainties is estimated by considering various typical sources, such as those on the fitting parameters of the continuous background, shape uncertainties affecting the signal acceptance and the background modelling. The accuracy of a Higgs production cross section measurements is also discussed, quoting sensitivity to deviations of 50% for 100 fb$^{-1}$ and 10% for 3 ab$^{-1}$.
description: 6 pages, 7 figures
Use of simplified models for theoretical prediction of the interactions between available antibodies and the receptor-binding domain of SARS-CoV-2 spike protein
Creators: name: Huerta-Miranda, G. A.
name: García-García, W. I.
name: Vidal-Limon, A.
name: Miranda-Hernández, M.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Immunology
subject: FOS: Clinical medicine
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: The negative impact of infectious diseases like COVID-19 on public health and the global economy is evident. This pandemic represents a significant challenge for the scientific community to develop new practical analytical methods for accurately diagnosing emerging cases. Due to their selectivity and sensitivity, new methodologies based on antigen/antibody interactions to detect COVID-19 biomarkers are necessary. In this context, the theoretical, computational modeling reduces experimental efforts and saves resources for rational biosensor design. This study proposes using molecular dynamics to predict the interactions between the Receptor Binding Domain (RBD) of the SARS-CoV-2 spike protein simplified model and a set of highly characterized antibodies. The binding free energy of the antigen/antibody complexes was calculated for the simplified models and compared against the complete SARS-CoV-2 ectodomain to validate the methodology. The structural data derived from our molecular dynamics and end-point free energy calculations showed a positive correlation between both approximations, with a 0.82 Pearson correlation coefficient; t = 3.661, df = 3, p-value = 0.03522, with a 95% confident interval. Furthermore, we identified the interfacial residues that could generate covalent bonds with a specific chemical surface without perturbing the binding dynamics to develop highly sensitive and specific diagnostic devices. Communicated by Ramaswamy H. Sarma.
title: Steel Reinforced 3D Printing Concrete Housing Building and Its Modular Assembly Construction
Creators: name: Sun, Xiaoyan
name: Lin, Xiqiang
name: He, Huanan
name: Yang, Hongyang
name: Wang, Hailong
Publisher: name: Universitätsbibliothek Braunschweig
Year: 2024
Subjects: subject: Modular assembly
subject: 3D printing
subject: concrete structure
subject: reinforcement
subject: digital design
subject: 62

description: To solve the issues of aging population, insufficient labor force, poor construction accuracy, and insufficient disaster resistance of building faced by farmers in housing construction, a modular assembly construction technology combined with digital building design and additive intelligent construction was used herein to design and construct a residential courtyard in northern China. Dig-ital simulation was adopted to establish spatial models for space planning of over-all yard firstly, and then refine the design according to the building space and structural functions. Based on the personalized design requirements, architectural design of house building was carried out, and a 3D digital building model, that can be perspective recognition, was established. Then, this 3D building model was imported into a calculation software for building structural design according to the structural design standards of concrete building. According to the require-ments of environment, structural safety, and durability of concrete structures, the printing and cast materials, details of hollow walls and the inside filled insulation materials, and the size of reinforced concrete beams and columns were deter-mined. Based on the function and assembly construction requirements, the build-ing was divided into different modules. These digital modules were transferred into a concrete 3D printing system for printing. After 7 days of curing, the printed modules were transported to the site for assembly. To ensure the structural integ-rity, load-bearing capacity, and seismic resistance of the assembled building, dif-ferent modules are reliably connected through specially designed steel connec-tions, spatial reinforcements and cast-in-place concrete. To maintain thermal in-sulation and save energy, the cavities of printed walls were filled with insulation materials. The practice verified that the proposed method had outstanding tech-nical advantages over traditional construction techniques such as high precision, high efficiency, digitization, excellent seismic performance, insulation, and en-ergy-saving. It can integrate additive manufacturing with assembly construction to achieve intelligent construction of concrete housing buildings.
description: Digital Concrete 2024 - Supplementary Proceedings
Structural and functional insight into thiazolidinone derivatives as novel candidates for anticancer drug design: in vitro biological and in-silico strategies
Creators: name: Channar, Pervaiz Ali
name: Aziz, Mubashir
name: Ejaz, Syeda Abida
name: Chaudhry, Gul-e-Saba
name: Saeed, Amna
name: Ujan, Rabail
name: Hasan, Abbas
name: Ejaz, Syeda Rabia
name: Saeed, Aamer
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: The compounds 2a–2h containing a thiazolidinone pharmacophore were synthesized via hetrerocylization of thiosemicarbazones with dimethyl acetylenedicarboxylate. The hybrid molecules were evaluated for anticancer activity against the human cell lines MCF-7, T47D (human breast adenocarcinoma) and HeLa (cervical cancer). Compounds 2c showed effective cytotoxicity on MCF-7 and HeLa (GI50 6.40 ± 0.10 μM/mL and GI5010.30 ± 1.09 μM/mL), and compound 2d also showed effective cytotoxicity against MCF-7 and HeLa cell lines i.e., (GI50 16.60 ± 0.21 μM/mL and GI50 15.02 ± 0.14 μM/mL). These findings were comparable to cisplatin (azane;dichloroplatinum) the standard drug (GI50 13.20 ± μM/mL and 15.10 μM/mL respectively) and consequently nominated for determination of the mode of cell death. The results revealed the cytotoxic effects of 2c and 2d by induction of apoptosis in MCF-7 and HeLa cell lines. Moreover the results were further supported by the Molecular Docking which predicts the binding interactions of the best anticancer ligands with Ribonucleotide reductase (RNR), which is essential enzyme required for de-novo synthesis of DNA precursors. Molecular dynamic simulations were also performed to determine the stability of protein-ligand complex under different simulated conditions. In addition, the computational studies including DFTs, ADMET properties suggested these compounds can act as lead molecules, for the synthesis of novel drug candidates for the treatment of specific cancer and its associated malignancies. Communicated by Ramaswamy H. Sarma
Biological, toxicological and molecular docking evaluations of isoxazoline-thiazolidine-2,4-dione analogues as new class of anti-hyperglycemic agents
Creators: name: Fettach, Saad
name: Thari, Fatima Zahra
name: Hafidi, Zakaria
name: Karrouchi, Khalid
name: Bouathmany, Kaoutar
name: Cherrah, Yahia
name: Achouri, Mohammed El
name: Benbacer, Laila
name: Mzibri, Mohammed El
name: Sefrioui, Hassan
name: Bougrin, Khalid
name: Faouzi, My El Abbes
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Pharmacology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Cancer
subject: Hematology
subject: 60506 Virology

description: In this work, three isoxazoline-thiazolidine-2,4-dione derivatives were synthesized and characterized by FT-IR, 1H-NMR, 13C-NMR and ESI-MS spectrometry. All compounds have been investigated for their α-amylase and α-glucosidase inhibitory activities. In vitro enzymatic evaluation revealed that all compounds were inhibitory potent against α-glucosidase with IC50 values varied from 40.67 ± 1.81 to 92.54 ± 0.43 µM, and α-amylase with IC50 in the range of 07.01 ± 0.02 to 75.10 ± 1.06 µM. One of the tested compounds were found to be more potent inhibitor compared to other compounds and standard drug Acarbose (IC50 glucosidase= 97.12 ± 0.35 µM and IC50 amylase= 2.97 ± 0.01 μM). All compounds were then evaluated for their acute toxicity in vivo and shown their safety at a high dose with LD > 2000mg/kg BW. A cell-based toxicity evaluation was performed to determine the safety of compounds on liver cells, using the MTT assay against HepG2 cells, and the results shown that all compounds have non-toxic impact against cell viability and proliferation compared to reference drug (Pioglitazone). Furthermore, the molecular homology analysis, SAR and the molecular binding properties of compound with the active site of α-amylase and α-glucosidase were confirmed through computational analysis. This study has identified the inhibitory potential of a new class of synthesized isoxazoline-thiazolidine-2,4-dione derivatives in controlling both hyperglycemia and type 2 diabetes mellitus without any hepatic toxicity. Communicated by Ramaswamy H. Sarma
title: Environmental Conditions Affecting the Shrinkage Behavior of Low Clinker 3D Printable Mortar
Creators: name: Palomba, Martina
name: Esposito, Laura
name: Villani, Chiara
name: Wagner, Eckhard
Publisher: name: Universitätsbibliothek Braunschweig
Year: 2024
Subjects: subject: 3D printable mortar
subject: shrinkage deformations
subject: wind/temperature effect
subject: testing set-up
subject: experimental investigation
subject: 62

description: 3D concrete printing is rapidly growing in the construction industry, and the sector is adapting to new technology. Significant progress has been made in recent years, which is of great interest to the 3D concrete printing (3DCP) industry. The 3DCP equipment available on the market is continuously being adapted to meet new requirements. One of the main challenges for successful 3D printing with printable materials is high shrinkage crack resistance. It is well-known that if restrained, cementitious materials develop internal stress due to increasing deformation, and cracking may occur if the stress value exceeds the material’s tensile strength. This phenomenon is even more critical in 3DCP applications. The 3D printed object has a high surface-to-volume ratio and is fully exposed to the environment since no formworks cover the fresh mortar, limiting water evaporation. Shrinkage depends on several factors, including mix-design composition, water-to-cement ratio, curing treatment, and environmental conditions (e.g., temperature, humidity, and wind speed). Although many investigations have been carried out in the literature to study the effect of on-site conditions on shrinkage deformation, no standard method is currently available. This study proposes a new testing setup to quantify the effect of high temperature and wind speed on shrinkage deformations. The outcomes demonstrate the reliability of the experimental method employed, allowing for the estimation of material performance in a real construction site. This information can guide mix-design development and optimization. The research activities are currently focused on defining a technique to assess the crack risk of printed elements exposed to different environmental conditions.
description: Digital Concrete 2024 - Supplementary Proceedings
Itinerant ferromagnetism in 1D two-component Fermi gases
Creators: name: Jiang, Yuzhu
name: Kurlov, D. V.
name: Guan, Xi-Wen
name: Schreck, F.
name: Shlyapnikov, G. V.
Publisher: name: arXiv
Year: 2015
Subjects: subject: Quantum Gases (cond-mat.quant-gas)
subject: FOS: Physical sciences

description: We study a one-dimensional two-component atomic Fermi gas with an infinite intercomponent contact repulsion. It is found that adding an attractive resonant odd-wave interaction breaking the rotational symmetry one can make the ground state ferromagnetic. A promising system for the observation of this itinerant ferromagnetic state is a 1D gas of $^{40}$K atoms, where 3D $s$-wave and $p$-wave Feshbach resonances are very close to each other and the 1D confinement significantly reduces the inelastic decay.
description: 5 pages, 2 figures, with 6 pages supplemental material
title: Quantification of Porosity and Sorptivity in Fiber-Reinforced 3D-Printed Mortar: Connecting Material Composition and Structural Performance
Creators: name: Rider, B.
name: Kurtis, K.
name: Stewart, L.
Publisher: name: Universitätsbibliothek Braunschweig
Year: 2024
Subjects: subject: 3D concrete printing
subject: fibers
subject: porosity
subject: microtomography
subject: 62

description: Existing literature suggests an important connection between porosity in 3D printed cementitious composites (3DPC) and mechanical behavior, including strength, anisotropy, and permeability. Much of the body of knowledge shows that the relationship is more pronounced in 3DPC than in cast concrete [1–9]. In this preliminary study, quantitative observations of material microstructure, obtained by computed microtomography performed before and after fluid ingress, are combined with measurements of bulk sorptivity to compare the porosity of printed and cast samples of the same mortar. Measurements are taken near the extruded specimen edge and in the bulk (i.e. internal) of printed and cast specimens made from a fiber-reinforced material.
description: Digital Concrete 2024 - Supplementary Proceedings
Synthesis, characterization, and in silico studies of 1,8-naphthyridine derivatives as potential anti-Parkinson’s agents
Creators: name: Ojha, Madhwi
name: Kumar, Avinash
name: Prasun, Chakrawarti
name: Nair, Maya S.
name: Chaturvedi, Saurabh
name: Paliwal, Sarvesh Kumar
name: Nain, Sumitra
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: 1,8-Naphthyridine scaffold is a nitrogen-containing heterocyclic compound known for its versatile biological activities. The structure-activity relationship (SAR) has shown that modification at the 3rd position of the nucleus with various secondary amines enhances the binding efficiency and potency towards the Adenosine receptor (A2A type). In this paper, we have reported some newly synthesized derivatives of 1,8- Naphthyridine, and the prepared compounds were assessed for their potential to constrain A2A receptors through molecular docking. Based on the SAR studies, modifications were done at the 3rd position of the nucleus by incorporating secondary amines. The synthesized compounds were characterized by FT-IR, 1H and 13C NMR. All the synthesized compounds 10a-f and 13a-e showed good binding efficiency towards the A2A receptors and might act as an A2A receptor antagonist, as predicted by in-silico studies. 1-Ethyl-7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridine-4(1H)-one (10c) in first series showed the highest docking score of −8.407 and binding energy (MMGBSA dG bind) of –56.60 kcal/mol and N-(4-2-diethylaminoethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1, 4, 4a, 8a- tetrahydro-1,8-naphthyridine-3-carboxamide (13b) showed the highest docking score of –8.562 and free binding energy (MMGBSA dG bind) score of –64.13 kcal/mol which was comparable to the bound ligand. MD simulations study also suggested that compounds 10c and 13b would form stable complex human A2A receptor. These findings need to be validated by further in vitro assays. Communicated by Ramaswamy H. Sarma
Testing Asteroseismic Scaling Relations using Eclipsing Binaries in Star Clusters and the Field
Creators: name: Brogaard, K.
name: Jessen-Hansen, J.
name: Handberg, R.
name: Arentoft, T.
name: Frandsen, S.
name: Grundahl, F.
name: Bruntt, H.
name: Sandquist, E. L.
name: Miglio, A.
name: Beck, P. G.
name: Thygesen, A. O.
name: Kjærgaard, K. L.
name: Haugaard, N. A.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: The accuracy of stellar masses and radii determined from asteroseismology is not known! We examine this issue for giant stars by comparing classical measurements of detached eclipsing binary systems (dEBs) with asteroseismic measurements from the Kepler mission. For star clusters, we extrapolate measurements of dEBs in the turn-off region to the red giant branch and the red clump where we investigate the giants as an ensemble. For the field stars, we measure dEBs with an oscillating giant component. These measurements allow a comparison of masses and radii calculated from a classical eclipsing binary analysis to those calculated from asteroseismic scaling relations and/or other asteroseismic methods. Our first results indicate small but significant systematic differences between the classical and asteroseismic measurements. In this contribution we show our latest results and summarize the current status and future plans. We also stress the importance of realizing that for giant stars mass cannot always be translated to age, since an unknown fraction of these evolved through a blue straggler phase with mass transfer in a binary system. Rough estimates of how many such stars to expect are given based on our findings in the open clusters NGC6819 and NGC6791.
description: To appear in Astronomische Nachrichten, special issue "Reconstruction the Milky Way's History: Spectroscopic surveys, Asteroseismology and Chemo-dynamical models", Guest Editors C. Chiappini, J. Montalb\'an, and M. Steffen, AN 2016 (in press)"
Arborified multiple zeta values
Creators: name: Manchon, Dominique
Publisher: name: arXiv
Year: 2016
Subjects: subject: Combinatorics (math.CO)
subject: Number Theory (math.NT)
subject: FOS: Mathematics
subject: 11M32

description: We describe some particular finite sums of multiple zeta values which arise from J. Ecalle's "arborification", a process which can be described as a surjective Hopf algebra morphism from the Hopf algebra of decorated rooted forests onto a Hopf algebra of shuffles or quasi-shuffles. This formalism holds for both the iterated sum picture and the iterated integral picture. It involves a decoration of the forests by the positive integers in the first case, by only two colours in the second case.
description: From a talk at the ESF exploratory workshop "New approaches to Multiple Zeta Values", ICMAT, Madrid, Sept-Oct. 2013
Revealing the drug resistance mechanism of saquinavir due to G48V and V82F mutations in subtype CRF01_AE HIV-1 protease: molecular dynamics simulation and binding free energy calculations
Creators: name: S., Vasavi C.
name: Munusami, Punnagai
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Pharmacology
subject: Evolutionary Biology
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: Computational Biology

description: Human immunodeficiency virus-1 (HIV-1) protease is one of the important targets in AIDS therapy. The majority of HIV infections are caused due to non-B subtypes in developing countries. The co-occurrence of mutations along with naturally occurring polymorphisms in HIV-1 protease cause resistance to the FDA approved drugs, thereby posing a major challenge in the treatment of antiretroviral therapy. In this work, the resistance mechanism against SQV due to active site mutations G48V and V82F in CRF01_AE (AE) protease was explored. The binding free energy calculations showed that the direct substitution of valine at position 48 introduces a bulkier side chain, directly impairing the interaction with SQV in the binding pocket. Also, the intramolecular hydrogen bonding network of the neighboring residues is altered, indirectly affecting the binding of SQV. Interestingly, the substitution of phenylalanine at position 82 induces conformational changes in the 80’s loop and the flap region, thereby favoring the binding of SQV. The V82F mutant structure also maintains similar intramolecular hydrogen bond interactions as observed in AE-WT. Communicated by Ramaswamy H. Sarma
Evolving images of the proton: Hadron physics over the past 40 years
Creators: name: Pennington, Michael R.
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Experiment (hep-ex)
subject: Nuclear Experiment (nucl-ex)
subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: Once upon a time, the world was simple: the proton contained three quarks, two {\it ups} and a {\it down}. How these give the proton its mass and its spin seemed obvious. Over the past forty years the proton has become more complicated, and how even these most obvious of its properties is explained in a universe of quarks, antiquarks and gluons remains a challenge. That this should be so should come as no surprise. Quantum Chromodynamics, the theory of the strong interaction, is seemingly simple, and its consequences are straightforward in the domain of hard scattering where perturbation theory applies. However, the beauty of the hadron world is its diversity. The existence of hadrons, their properties, and their binding into nuclei do not appear in the Lagrangian of QCD. They all emerge as a result of its strong coupling. Strong coupling QCD creates complex phenomena, much richer than known 40 years ago: a richness that ensures colour confinement and accounts for more than 95\% of the mass of the visible Universe. How strong coupling QCD really works requires a synergy between experiment and theory. A very personal view of these fascinating developments in cold QCD is presented.
description: to be published as a 40th anniversary article in Journal of Physics G
Reverse vaccinology approach to design a vaccine targeting membrane lipoproteins of Salmonella typhi
Creators: name: Sharma, Saroj
name: Solanki, Vandana
name: Tiwari, Vishvanath
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Space Science
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Biotechnology
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified

description: Typhoid fever caused by Salmonella is one of the major health issues worldwide, resulting in millions of cases and has very high rates of morbidities. The therapeutic approaches need to be updated for the effective elimination of the bacterial pathogen. The designing of the multiepitope vaccine against Salmonella using comparative proteomics and reverse vaccinology has covered up all the epitopes that induce sufficient immune responses in the host body. Out of the 4293 proteins, 15 outer membrane proteins have been selected based on their antigenicity, low transmembrane helix (<1), and virulence-associated factors. With the help of the reverse vaccinology approach, the epitopes of MHC Class I, Class II, and B-cell with antigenic, low toxicity, and that have the potential to generate immunogenic response have been identified. Based on the comparative analysis of all the epitopes, a multiepitope-based construct has been designed. Based on physicochemical properties and docking scores for HLA and TLR4, the VC5 construct has been selected, and the molecular dynamic simulation studies have confirmed their interaction. The dissociation constant of the VC5 and TLR4 was found to be 3.1 x 10−9. Different immune cell activation has been analyzed, representing the potentiality of the VC5 construct as an effective vaccine target. In silico cloning of VC5 in pET28a has also been performed, which requires experimental validation. Therefore, the present study designs a multi-epitope vaccine VC5 targeted to the membrane lipoproteins of Salmonella typhi. Communicated by Ramaswamy H. Sarma
Screening of phytochemicals as potential anti-breast cancer agents targeting HER2: an in-silico approach
Creators: name: Lamichhane, Sudarshan
name: Prateek, Raj
name: Khatri, Amar
name: Adhikari, Rajendra
name: Shrestha, Bhupal Govinda
name: Shrestha, Simon Kumar
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer

description: Breast cancer is the most common cancer among women around the world. Human Epidermal growth factor Receptor-2 (HER2) is a membrane tyrosine kinase overexpressed in 30% of human breast cancers; thus, it serves as an important drug target. Currently available HER2 inhibitor lapatinib targets the ATP binding site of the cytoplasmic kinase domain, blocking autophosphorylation and activation of HER-2. However, it causes side effects like diarrhea, nausea, rash and possible liver toxicity. As phytochemicals have fewer side effects and are relatively affordable, they offer an effective alternative. Hence, we aimed to identify potential phytochemicals that could act as HER2 inhibitors employing computational methods such as molecular docking, molecular dynamic simulation, and ADMET prediction. Out of 1500 phytochemicals docked to the ATP binding site of the HER2 kinase domain, luxenchalcone, rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone exhibited higher binding affinity than the reference inhibitor and satisfied the Lipinski’s rule of five. Analysis of molecular dynamics simulation trajectory showed that Rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone formed a stable and compact complex without vast conformational fluctuations. MM/PBSA binding free energy analysis revealed that Rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone have high binding affinity to HER2. Therefore, Rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone could be potential bioactive molecules to act as inhibitor of HER2 protein. Eventually, experimental studies are needed to evaluate the potentials of these phytochemicals further. The development of drug for HER2 positive breast cancer could be accelerated with the findings of our research. Communicated by Ramaswamy H. Sarma
Anchoring of Amyloid-β onto Polyunsaturated Phospholipid Membranes
Creators: name: Yuan, Ruikang
name: Huang, Haohao
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences

description: The interaction between the toxic amyloid-β and phospholipid membranes in the early stage of Alzheimer’s disease is complicated and depends on many factors. It was found that polyunsaturated fatty acids affect the incidence of Alzheimer’s disease. The number of double bonds in the phospholipid layer may play an important role in the molecular dynamic behavior of amyloid-β on cell membranes. In the present paper, the interactions between Aβ(25-35) and each of four phospholipids, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine (SAPC), 1-stearoyl-2-docosahexaenooyl-sn-glycero-3-phosphocholine (SDPC), and 1,2-diarachidonoyl-sn-glycero-3-phosphocholine (DAPC), are investigated by using all-atom molecular dynamics simulation. It is interesting that, as the number of double bonds in the membrane increases, the peptide fragment prefers to stay in the surface region of the membrane rather than penetrates deeply into the membrane. With the increasing number of double bonds, the interaction between Aβ(25-35) and the membrane surface becomes stronger, especially for the interaction between the residue 28 (LYS28) in Aβ(25-35) and the phospholipids, anchoring Aβ(25-35) onto the membrane. The double bonds in phospholipid determine not only the adsorption of the peptide fragment Aβ(25-35) but also its conformation, which will influence further aggregation of Aβ in later stages. Communicated by Ramaswamy H. Sarma
Using the Crab Nebula as a high precision calibrator for Cosmic Microwave Background polarimeters
Creators: name: Kaufman, Jonathan
name: Keating, Brian
name: Leon, David
Publisher: name: arXiv
Year: 2016
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: The polarization of the Cosmic Microwave Background (CMB) provides a plethora of information about the early universe. Most notably, gravitational waves from the Inflationary epoch (the leading explanation of the origin of the universe) create a unique CMB polarization $B$-mode signal. An unambiguous detection of the inflationary $B$-mode signal would be a window into the physics of the universe as it was $10^{-36}$ seconds after the Big Bang, at energy scales many orders of magnitude larger than what the LHC can produce. However, there are several instrumental and astrophysical sources that can obfuscate the inflationary $B$-mode signal. One of the most difficult parameters to calibrate for CMB telescopes is the absolute orientation of the antenna's polarization sensitive axis. A miscalibration of the polarization orientation rotates the much brighter $E$-mode signal, producing a false $B$-mode signal. The current best uncertainty on polarization orientation in the CMB community is $0.5^\circ$, set from extrapolating IRAM measurements of the Crab Nebula supernova remnant at 90 GHz to 150 GHz, where the CMB signals peak. This accuracy is not sufficient to convincingly detect $B$-modes predicted by currently allowable models of Inflation. We suggest to precisely measure the Crab Nebula's polarization, which can be calibrated absolutely to $0.1^\circ$ from measurements of the polarized emission of Mars, and use these data to calibrate current and upcoming CMB experiments. In addition to inflationary $B$-modes, more precise calibration will allow us to better constrain the sum of the neutrino masses and set limits on exotic physics such as parity violation through cosmic polarization rotation.
description: 8 pages, 1 figure
Tip Pressure Induced Incoherent Energy Gap in CaFe2As2
Creators: name: Yin, J. -X.
name: Wang, J. H.
name: Wu, Z.
name: Li, A.
name: Liang, X. J.
name: Mao, H. Q.
name: Chen, G. F.
name: Lv, B.
name: Chu, C. -W.
name: Ding, H.
name: Pan, S. H.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: FOS: Physical sciences

description: In CaFe2As2, superconductivity can be achieved by applying a modest c-axis pressure of several kbar. Here we use scanning tunneling microscopy/spectroscopy (STM/S) to explore the STM tip pressure effect on single crystals of CaFe2As2. When performing STM/S measurements, the tip-sample interaction can be controlled to act repulsive with reduction of the junction resistance, thus to apply a tip pressure on the sample. We find that an incoherent energy gap emerges at the Fermi level in the differential conductance spectrum when the tip pressure is increased. This energy gap is of the similar order of magnitude as the superconducting gap in the chemical doped compound Ca0.4Na0.6Fe2As2 and disappears at the temperature well below that of the bulk magnetic ordering. Moreover, we also observe the rhombic distortion of the As lattice, which agrees with the orthorhombic distortion of the underlying Fe lattice. These findings suggest that the STM tip pressure can induce the local Cooper pairing in the orthorhombic phase of CaFe2As2.
Die Anstrengungen der institutionellen Kirche zur Lösung der Energiekrise in der Evangelisation
Creators: name: Singleton, Michaël
name: Maurier, Henri
Publisher: name: Concilium
Year: 1970

description: Concilium, Bd. 14 Nr. 4 (1978): Concilium: Internationale Zeitschrift für Theologie, Band 14, Heft 4
title: Green Klinkers: A Strategy to Include Plants in Double-Shell Masonry
Creators: name: Wolf, Alexander
name: Bauer, Simon
name: Knaack, Ulrich
Publisher: name: Universitätsbibliothek Braunschweig
Year: 2024
Subjects: subject: Additive Manufacturing
subject: Ceramics
subject: Greening
subject: Façade
subject: Masonry
subject: 62

description: Unlike other materials, additive manufactured ceramics are not unre-strictedly suited for a digitally-driven in-situ production of buildings. The crucial necessity of a subsequent firing process after shaping limits their size to prevent distortion and as well as to enable a later shipping to the construction site. Also, common shaping processes, e.g. extrusion, provide high output rates and thereby ensure low unit-prices. The mere simplicity of the common brick offers an op-portunity to use additive manufacturing in order to overcome its geometric and functional restrictions. Whilst preceding projects in this filed mostly made use the geometric freedom of AM processes in order to create unique design solutions, this paper discusses an approach to also enhance the functionality of such constructions. The compo-nents investigated in this research provide a contemporary, generatively created, undulating design. By providing grooves filled with nutrient substrate, space for plants to grow on is created on the façade. Using undemanding crops like sedum and moss, a favorable behavior in terms of accrual, as well as a low expenditure in the later maintenance is expected. The so produced bricks stay within size of common masonry components and hereby enable a spotwise inclusion in the outer layer of common double-shelled masonry, as well as the opportunity of being used as this outer layer all alone. Besides the design and production of the respective components, also their as-sembly to a masonry bond and the accrual of the planted species is investigated, evaluated and discussed within this research.
description: Digital Concrete 2024 - Supplementary Proceedings
Litocampa sollaudi
Creators: name: Sendra, Alberto
name: Reboleira, Ana Sofia P. S.
Publisher: name: Zenodo
Year: 2020
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Diplura
Campodeidae
Litocampa
Litocampa sollaudi

description: Litocampa sollaudi (Denis, 1930)
Troglocampa sollaudi Denis, 1930: 34, figs 21–27.
Litocampa sollaudi – Paclt 1957: 27.
Diagnosis (Denis 1930; Condé 1948a; Bareth 1968, 2006)
Body length 5.0–8.0 mm; middle-sized, smooth clothing setae; antennae with 30–34 antennomeres; sensillim in the third antennomere in dorsal position; cupuliform organ with 10–12 complex olfactory chemoreceptors; prominent frontal process; 1+1 ma, 1+1 la, 1+1 lp macrosetae on pronotum, 1+1 ma, 0+0 or 1+1 la, 1+1 lp on mesonotum and 1+1 ma on metanotum; long notal macrosetae with barbs along distal half to two-thirds; long marginal setae with some barbs along distal two-thirds; long legs reaching end of abdomen; without dorsal femoral macrosetae; calcars barbed almost from basis; one or two ventral tibial macrosetae; smooth apical tarsal setae; subequal elbow-like claws with smooth lateral crests; 1+1 la, 1+1 lp on VI–VII urotergites, 3+3 lp on VIII urotergite and 5+5 lp on IX abdominal segment; enlarged appendages in males without glandular a 2 -setae, also in females; cerci longer than body with 9–10 articles covered in long thin macrosetae with barbs along distal half to two-thirds and thin barbed clothing setae; spermatozoid fascicles 50–60 μm in diameter and 10 μm wide, spiral filament with 7–8 spirals, 1100–1200 μm long and 2–3 μm in widest diameter of elliptical section.
Habitat and distribution
Cave-dwelling species with consistent cave-adapted traits found in more than 100 caves in the Jura and the western Vercors Massifs, in France and Switzerland (Condé 1948a, 1962).
description: Published as part of Sendra, Alberto & Reboleira, Ana Sofia P. S., 2020, Euro-Mediterranean fauna of Campodeinae (Campodeidae, Diplura), pp. 1-130 in European Journal of Taxonomy 728 on page 103, DOI: 10.5852/ejt.2020.728.1181, http://zenodo.org/record/4316883
Energy gaps of atomically precise armchair graphene nanoribbons
Creators: name: Wang, Wen-Xiao
name: Zhou, Mei
name: Li, Xinqi
name: Li, Si-Yu
name: Wu, Xiaosong
name: Duan, Wenhui
name: He, Lin
Publisher: name: arXiv
Year: 2016
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: Graphene nanoribbons (GNRs) are one-dimensional (1D) structures that exhibit a rich variety of electronic properties1-17. Therefore, they are predicted to be the building blocks in next-generation nanoelectronic devices. Theoretically, it has been demonstrated that armchair GNRs can be divided into three families, i.e., Na = 3p, Na = 3p + 1, and Na = 3p + 2 (here Na is the number of dimer lines across the ribbon width and p is an integer), according to their electronic structures, and the energy gaps for the three families are quite different even with the same p1,3-6. However, a systematic experimental verification of this fundamental prediction is still lacking, owing to very limited atomic-level control of the width of the armchair GNRs investigated7,9,10,13,17. Here, we studied electronic structures of the armchair GNRs with atomically well-defined widths ranging from Na = 6 to Na = 26 by using scanning tunnelling microscope (STM). Our result demonstrated explicitly that all the studied armchair GNRs exhibit semiconducting gaps due to quantum confinement and, more importantly, the observed gaps as a function of Na are well grouped into the three categories, as predicted by density-functional theory calculations3. Such a result indicated that we can tune the electronic properties of the armchair GNRs dramatically by simply adding or cutting one carbon dimer line along the ribbon width.
description: 5 figures
Screening of phytochemicals as potential anti-breast cancer agents targeting HER2: an in-silico approach
Creators: name: Lamichhane, Sudarshan
name: Rai, Raj Prateek
name: Khatri, Amar
name: Adhikari, Rajendra
name: Shrestha, Bhupal Govinda
name: Shrestha, Simon Kumar
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer

description: Breast cancer is the most common cancer among women around the world. Human Epidermal growth factor Receptor-2 (HER2) is a membrane tyrosine kinase overexpressed in 30% of human breast cancers; thus, it serves as an important drug target. Currently available HER2 inhibitor lapatinib targets the ATP binding site of the cytoplasmic kinase domain, blocking autophosphorylation and activation of HER-2. However, it causes side effects like diarrhea, nausea, rash and possible liver toxicity. As phytochemicals have fewer side effects and are relatively affordable, they offer an effective alternative. Hence, we aimed to identify potential phytochemicals that could act as HER2 inhibitors employing computational methods such as molecular docking, molecular dynamic simulation, and ADMET prediction. Out of 1500 phytochemicals docked to the ATP binding site of the HER2 kinase domain, luxenchalcone, rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone exhibited higher binding affinity than the reference inhibitor and satisfied the Lipinski’s rule of five. Analysis of molecular dynamics simulation trajectory showed that Rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone formed a stable and compact complex without vast conformational fluctuations. MM/PBSA binding free energy analysis revealed that Rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone have high binding affinity to HER2. Therefore, Rhinacanthin Q, subtrifloralacton D, and 7,7″-dimethyllanaraflavone could be potential bioactive molecules to act as inhibitor of HER2 protein. Eventually, experimental studies are needed to evaluate the potentials of these phytochemicals further. The development of drug for HER2 positive breast cancer could be accelerated with the findings of our research. Communicated by Ramaswamy H. Sarma
title: Construction in the Modern Era
Creators: name: De Rycke, Klaas
name: Bourriche, Meriem
name: Daffner, Tim
Publisher: name: Universitätsbibliothek Braunschweig
Year: 2024
Subjects: subject: 3D printing
subject: additive manufacturing
subject: digital
subject: design
subject: topology
subject: experimentation
subject: research
subject: structural design
subject: 62

description: 3D printing is revolutionizing construction by enabling the additive manufacturing of structures from digital models. Over the last ten years the in-ternational engineering agency Bollinger+Grohmann has been involved in vari-ous projects exploring the use of 3D printing in construction, from research to prototyping and in-situ or off-site construction. These applications include the prefabrication of modules for fitting rooms in a shopping center or the design of a pedestrian bridge that bypasses the limitations of printed materials and demon-strates the wide range of possibilities offered by this technology for the creation of innovative and sustainable architecture, while at the same time highlighting the need for scientific advances and close collaboration between all those in-volved in construction on a wider scale. These case studies illustrate the ad-vantages of 3D printing in construction such as flexibility, reduced workload, speed, material savings and innovation in the creation of complex, durable archi-tectural structures. The automation through 3D printing machines is transform-ing both the way we design and the construction process along the value chain, redistributing tasks between human operators and robots. However, challenges remain, particularly in terms of material resistance and certification to construc-tion standards. Collaboration between architects, engineers, manufacturers, and researchers is crucial to advancing this technology.
description: Digital Concrete 2024 - Supplementary Proceedings