Test Whats new message.
Scheduled Maintenance on Monday 1/13/2025
Single article sales and account management will be unavailable from 5:00 AM - 7:00 PM ET (09:00 - 23:00 UTC). We apologize for the inconvenience.
Showing 1-25 of 187 resultsfor "Index Terms":Form Hydrogen Bonds
"Index Terms":Form Hydrogen Bonds
- Sort
Get notified when new research is published matching your search criteria.
Sort By
Results
Characterization of electrically controlled solid propellants and calculation of hydrogen bond interaction
2024 8th International Conference on Electrical, Mechanical and Computer Engineering (ICEMCE)
Year: 2024 | Conference Paper |
The preparation, microstructure, and synchronous thermal analysis tests of hydroxylamine nitrate (HAN) based electrically controlled solid propellants were carried out. The results showed that the exothermic peak was delayed compared to the thermal analysis test of the HAN solution. By using the density functional theory (DFT) method to study hydrogen bonding interactions in electrically controlle...Show More
Molecular simulation of moisture diffusion in vegetable insulation oil at different temperatures
2020 IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP)
Year: 2020 | Conference Paper |
Cited by: Papers (3)
The existence of moisture has a greatly negative influence on the insulation properties of insulation oil. In this paper, the molecular dynamics simulation method was used to study the diffusion behavior of moisture in vegetable oil. The oil model with water-containing was constructed in the paper, and molecular dynamics simulations were performed at a temperature range of 343K to 423K. The simula...Show More
Biomedical application of modificated nanodiamonds: targeted drug delivery and enchancement of therapeutic effect due to supramolecular mechanisms
2019 IEEE 8th International Conference on Advanced Optoelectronics and Lasers (CAOL)
Year: 2019 | Conference Paper |
Supramolecular interaction due to the hydrogen bonds formation and their influence on IR - spectra and structure of molecular complexes which is formed due to interaction between carboxylated nanodiamonds and highly toxic drugs on example of doxorubicin and mitoxantrone is analyzed by molecular modeling. As a result of calculations the combined IR spectrum is obtained as imposing of IR spectra for...Show More
Molecular simulation of the effect and mechanism of BN doping on local morphology and water molecules diffusion in insulating oil
2024 IEEE 7th International Electrical and Energy Conference (CIEEC)
Year: 2024 | Conference Paper |
Cited by: Papers (1)
The addition of boron nitride (BN) nanoparticles to electrical materials has been proven to be an effective way to enhancing the thermal dissipation performance. In addition to the impact of elevated temperatures on the transformer's operational conditions, the presence of water molecules stands out as the primary contributor to insulation degradation. Nevertheless, the microscopic mechanism of th...Show More
Preparation and crystal structure of sorafenib sulfate monohydrate
Chi Uyen Phan;Ngoc Bich Huynh;Hong Son Nguyen;Thi Ngoc Hang Do
2020 Applying New Technology in Green Buildings (ATiGB)
Year: 2021 | Conference Paper |
Salt formation is the most commonly method for increasing the solubility of drug. Sorafenib (Sor), a multikinase inhibitor active in the treatment a board of human cancers, has a very low solubility. In this study, sorafenib sulfate monohydrate (Sor-S) has been prepared for improving its solubility. The simulated powder X-ray diffraction (PXRD) was different from experimental PXRD of free Sor. The...Show More
Quantum-chemical characterization of binary molecular clusters formed by isopropyl cyanide in interstellar space
Swati Routh;Sumana Chakrabarty;Jayantra Thulasidas Andal;Puspitapallab Chaudhuri
2024 International Conference on Modeling, Simulation & Intelligent Computing (MoSICom)
Year: 2024 | Conference Paper |
The recent detection of isopropyl cyanide (i-PrCN) in the giant molecular clouds of interstellar space stands as a significant breakthrough in astrochemical and bio-chemical research. The branched carbon structure of i-PrCN, a first-of-its-kind in interstellar detection, is crucial for the formation of molecules essential to life, including amino acids that constitute proteins. Hydrogen bonding in...Show More
A Conical Representation of Hydrogen Bond Geometry for Quantifying Bond Interactions
2021 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)
Year: 2021 | Conference Paper |
We present a new three dimensional representation of hydrogen bond donors and acceptors as spherical cones. The conical representation describes the range of bond lengths and bond angles at which a hydrogen bond can form. We hypothesized that three dimensional intersections of these cones can predict the formation of hydrogen bonds and potentially their contribution to protein-protein interactions...Show More
Stability of CH3NH3PbBr3 and evolution of H-bonding during its polymorphic transformations
2017 Opto-Electronics and Communications Conference (OECC) and Photonics Global Conference (PGC)
Year: 2017 | Conference Paper |
The structural stability of the organometal halide perovskites (CH3NH3PbX3, where X = Br, I, Cl) is highly correlated with the rotation of the methylammonium (MA) cations and the tilting of the PbX6 octahedra, leading to a series of structural phase transitions upon cooling. However, the hydrogen-bonding status and the relationship with the electronic properties remain unclear and need to be addre...Show More
It is suggested that the formation of the switch (S) region RNA–DNA hybrid and the subsequent generation of higher-order chromatin structures including R-loop initiate a class switch recombination of the immunoglobulin gene. The primary factor of this recombination is the S-region derived noncoding RNA. However, the biochemical character of this guanine-rich (G-rich) transcript is poorly understoo...Show More
Photoinjection of hydrogen in solids: electron-proton plasma doping in transition metal oxides (WO/sub 3/, MoO/sub 3/,V/sub 2/O/sub 5/) and drastic enhancement of the print-out effect in silver and cuprous halides (AgCl, AgI, RbAg/sub 4/I/sub 5/, CuCl)
2001 International Semiconductor Device Research Symposium. Symposium Proceedings (Cat. No.01EX497)
Year: 2001 | Conference Paper |
Cited by: Papers (1)
Photoinjection of hydrogen (PIH) can involve radical changes in many solids. To carry out the PIH a source of hydrogen atoms must be employed. Specially selected organic molecules containing an oxygen atom play the role of this source. Formation of the joint quantum mechanical assembly consisting of the solid and molecules (hydrogen donors) is achieved by adsorption of the molecules on the surface...Show More
Glass transition temperature and mechanical properties in amorphous region of transformer insulation paper by molecular dynamic simulations
2012 IEEE International Symposium on Electrical Insulation
Year: 2012 | Conference Paper |
Cited by: Papers (9)
The glass transition temperature in amorphous region of insulation paper is one of the most important characteristics for its thermal stability. In order to study the microscopic mechanism of the glass transition process for transformer insulation paper which may provide some information for thermal aging, molecular dynamic simulations has been performed on two micro-structural models: pure amorph...Show More
Inhibition Effect of TiO2 on Sulfur Corrosion in Transformer Insulation Oil
2023 Panda Forum on Power and Energy (PandaFPE)
Year: 2023 | Conference Paper |
The destructive effect of sulfide on the insulation performance of transformer should not be ignored. Therefore, reducing the destructive effects of sulfide has become an important research topic. As a kind of cheap and non-toxic material with excellent chemical stability and wide sources, TiO2 has good adsorption performance. In this paper, based on the molecular dynamics simulation method, the a...Show More
Lattice Monte Carlo simulation of coil-helix transition
2005 IEEE Engineering in Medicine and Biology 27th Annual Conference
Year: 2005 | Conference Paper |
An improved self-avoiding lattice model was put forward to study coil-helix transition via dynamic Monte Carlo simulation. Each residue occupies eight simple lattices. By introducing a virtual-imino group and a virtual-carbonyl group, the helical period is not necessarily to be an integer. The Go-like restriction of hydrogen bonding interaction has also been partially released. The coil-helix tran...Show More
Gap states induced by weak bond and hydrogen movement in a-Si:H have been investigated on the basis of DV-X/spl alpha/ molecular orbital theory. Two energy levels appear near both sides of band edge, and shift to the gap center, while the weak bond is stretched and the bonded H atom is moved to the neighboring Si or Ge atoms. These additional states deep in the energy gap are due to the modificati...Show More
Strong amorphization in In2O3-based flexible transparent conductive films by hydrogen incorporation and higher suputtering pressure
Kanta Kibishi;Shinri Yamadera;Tsubasa Kobayashi;Ichiro Takano;Shinya Aikawa
2024 International Symposium on Semiconductor Manufacturing (ISSM)
Year: 2024 | Conference Paper |
Flexible and transparent conductive films that can be processed at room temperature are strongly required. We have obtained the In2O3-based transparent thin-films with both conductivity and flexibility for next-generation electronic devices by changing hydrogen partial pressure during sputtering deposition, however, resistance degradation during bending test occurred. Here, we discuss the relation...Show More
Computer Simulation of Interaction of Lysine Dendrimer with Stack of Amyloid Peptides
2017 Fourth International Conference on Mathematics and Computers in Sciences and in Industry (MCSI)
Year: 2017 | Conference Paper |
Cited by: Papers (1)
In present paper, molecular dynamics is used to study amyloid fibril destruction by oppositely charged dendrimers. Dendrimers are often used for delivery of drugs and biological molecules. They also could be used as antibacterial, antiviral and antiamyloid agents. Since lysine dendrimers are less toxic than conventional synthetic dendrimers), we chose them and studied system consisting of 3rd gene...Show More
Molecular Dynamics Simulation of Lysine Dendrimer and Oppositely Charged Semax Peptides
2016 Third International Conference on Mathematics and Computers in Sciences and in Industry (MCSI)
Year: 2016 | Conference Paper |
Cited by: Papers (1)
The possibility of complex formation by lysine dendrimer and therapeutic Semax peptides was investigated using molecular dynamics method. Dendrimers are often used for drug and biological molecules delivery (e.g., DNA, peptides, and polysaccharides) to different target cells. It was also shown that lysine dendrimer could penetrate blood brain barrier. Since lysine dendrimers also are less toxic th...Show More
Description of Si-O bond breakage using pair-wise interatomic potentials under consideration of the whole crystal
S.E. Tyaginov;W. Gos;T. Grasser;V. Sverdlov;Ph. Schwaha;R. Heinzl;F. Stimpfl
2009 IEEE International Reliability Physics Symposium
Year: 2009 | Conference Paper |
We extend the McPherson model in a manner to capture the effect of the whole surrounding lattice on the silicon-oxygen bond-breakage energetics. It is shown that the Mie-Gruneisen potential with the constants used in the original version of the model is not suitable under the consideration of the whole crystal. Other empirical pair-wise interatomic potentials, namely TTAM and BKS have been tested ...Show More
Towards accurate modeling for protein rigidity analysis
2012 IEEE 2nd International Conference on Computational Advances in Bio and medical Sciences (ICCABS)
Year: 2012 | Conference Paper |
Cited by: Papers (3)
We evaluate the performance of the modeling in KINARI, our pebble-game rigidity analysis system, on a benchmark data set of 32 PDB files used by the Gerstein Lab to validate the RigidFinder algorithm. For this we use a novel evaluation method, called the cluster decomposition score. This is adapted from the B-cubed score from the information retrieval literature, which is used as a comparative sco...Show More
DNA mediated sequential self-assembly of nano/micro components
T. Kusakabe;T. Tanemura;Y. Higuchi;K. Sugano;T. Tsuchiya;O. Tabata
2008 IEEE 21st International Conference on Micro Electro Mechanical Systems
Year: 2008 | Conference Paper |
Cited by: Papers (4)
A novel sequential self-assembly process of nano/micro components applying deoxyribonucleic acid (DNA) hybridization was proposed for the first time and its validity was experimentally verified. In the proposed process, characteristics of DNA, such as hybridization specificity of complementary pairs of single-stranded DNA (ssDNA) into a double-stranded DNA (dsDNA), and the dependence of hybridizat...Show More
Microcosmic Mechanism Analysis of Insulation Paper Thermally Aged in Mineral Oil and Ester Oils
2020 IEEE International Conference on High Voltage Engineering and Application (ICHVE)
Year: 2020 | Conference Paper |
Cited by: Papers (1)
Natural esters have been more and more widely used in recent years, while the analysis of the microcosmic mechanism is extremely important. In this paper, the accelerated thermal aging test for oil-paper samples are performed at 120°C, which composed of 25# mineral oil, soybean oil, palm oil, ordinary insulation pressboard and thermally-upgraded paper, to investigate the aging characteristics of o...Show More
Influence of Dopants C on Dehydrogenating Properties of LiNH2
2013 Fourth International Conference on Intelligent Systems Design and Engineering Applications
Year: 2013 | Conference Paper |
Crystal and electronic structure of the LiNH2 system of dopants C are calculated by first-principles planewave pseudopotential method based on the density functional theory. The calculated negative heat of formation show that when a little C dissolve into LiNH2 in a small amount of replacement solution, the heat of formation is reduced, there are some changes on structural stability, C elements be...Show More
Effect of H2O molecule on electrical tree initiation voltage of silicone rubber
2013 IEEE International Conference on Solid Dielectrics (ICSD)
Year: 2013 | Conference Paper |
Cited by: Papers (1)
Silicone rubber (SiR) is widely used in various electric equipment as insulating material. However, electrical tree initiation mechanisms in SiR are not clear. In our previous study, SiR specimens dewatered by vacuum heating treatment(10 Pa at 160°C for 8 hours, 2 times) show the higher tree initiation voltage than that of untreated specimens. However, SiR specimens impregnated with distilled wate...Show More
14N NQR Study of Tetrazole Derivatives for Potential Applications in Security, Detection of Counterfeit Drugs and Pharmaceutics
Sultonazar Mamadazizov;Galina Kupriyanova;Marina Shelyapina;George Mozzhukhin;Bulat Rameev
2019 PhotonIcs & Electromagnetics Research Symposium - Spring (PIERS-Spring)
Year: 2019 | Conference Paper |
Cited by: Papers (1)
In recent years, NQR is extensively studied with respect its potential applications in identification of illegal narcotic and counterfeit pharmaceutics. NQR has important advantages as a non-destructive, non-invasive, not-harmful method which is also sensitive to a crystal or molecular local symmetry. The aim of this work was to investigate 14N NQR spectra of some tetrazoles by the means of Densit...Show More
Interaction of Lysine Dendrigraft of 2nd Generation and Semax Peptide. Molecular Dynamics Simulation
2017 International Conference on Control, Artificial Intelligence, Robotics & Optimization (ICCAIRO)
Year: 2017 | Conference Paper |
Cited by: Papers (1)
Lysine dendrigrafts are often used for drug and other molecules delivery (e.g., DNA, peptides, and polysaccharides) to different target cells. Therapeutic Semax peptide was selected as a model peptide in this study because it belongs to a class of regulatory peptides and has an antioxidant, antihypoxic and neuroprotective properties. As, it is known that lysine dendrigrafts could penetrate blood b...Show More
IEEE Account
Purchase Details
Profile Information
Need Help?
- US & Canada: +1 800 678 4333
- Worldwide: +1 732 981 0060
- Contact & Support
- About IEEE Xplore
- Contact Us
- Help
- Accessibility
- Terms of Use
- Nondiscrimination Policy
- Sitemap
- Privacy & Opting Out of Cookies
A not-for-profit organization, IEEE is the world's largest technical professional organization dedicated to advancing technology for the benefit of humanity.
© Copyright 2025 IEEE - All rights reserved. Use of this web site signifies your agreement to the terms and conditions.