Results 61 to 70 of about 940,670 (332)
A Quantum-Chemical Bonding Database for Solid-State Materials
Scientific Data, 2023 An in-depth insight into the chemistry and nature of the individual chemical bonds is essential for understanding materials. Bonding analysis is thus expected to provide important features for large-scale data analysis and machine learning of material ...
Aakash Ashok Naik +4 more
doaj +1 more source
Optimisation of a cymbal transducer for its use in a high-power ultrasonic cutting device for bone surgery [PDF]
, 2016 The class V cymbal is a flextensional transducer commonly used in low-power ultrasonic applications. The resonance frequency of the transducer can be tailored by the choice of end-cap and driver materials, and the dimensions of the end-caps.
Bejarano, Fernando +2 more
core +1 more source
Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding [PDF]
, 2020 Scanning tunnelling microscopy (STM) is commonly used to identify on-surface molecular self-assembled structures. However, its limited ability to reveal only the overall shape of molecules and their relative positions is not always enough to fully solve ...
Bonifazi, Davide +5 more
core +3 more sources
FEBS Letters, EarlyView.The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li +2 more
wiley +1 more source
Optimization of Roll Bonding by Hot Rolling in Experimental and Industrial Use
Archives of Metallurgy and Materials, 2017 In this study the major topic were the bonding properties of the layer-clad aluminum sheets. The bonding was performed between AlMn1Si0.8 and AlSi10 alloys using hot rolling (a VON ROLL experimental duo mill).
Szabó G.
doaj +1 more source
Emotion Regulation and Parental Bonding in Families of Adolescents With Internalizing and Externalizing Symptoms [PDF]
, 2018 Parental bonding and emotional regulation, while important to explain difficulties that may arise in child development, have mainly been studied at an individual level.
Balottin, L +3 more
core +2 more sources
Cell wall target fragment discovery using a low‐cost, minimal fragment library
FEBS Letters, EarlyView.LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
wiley +1 more source
Neuropsychiatric Disease and Treatment, 2021 Koyo Hashijiri,1 Yuichiro Watanabe,1 Naoki Fukui,1 Takaharu Motegi,1 Maki Ogawa,1 Jun Egawa,1 Takayuki Enomoto,2 Toshiyuki Someya1 1Department of Psychiatry, Niigata University Graduate School of Medical and Dental Sciences, Niigata, Japan; 2Department ...
Hashijiri K +7 more
doaj
Chemical Bonding Analysis on Amphoteric Hydrogen - Alkaline Earth Ammine Borohydrides
, 2017 Usually the ions in solid are in the positive oxidation states or in the negative oxidation state depending upon the chemical environment. It is highly unusual for an ion having both positive as well as negative oxidation state in a particular compound ...
Kiruthika, S, Ravindran, P
core +1 more source
Halogen Bonds: Benchmarks and Theoretical Analysis
Journal of Chemical Theory and Computation, 2013 We carried out an extensive survey of wave function and DFT methods to test their accuracy on geometries and dissociation energies of halogen bonds (XB). For that purpose, we built two benchmark sets (XB18 and XB51). Between the DFT methods, it was found that functionals with high exact exchange or long-range corrections were suitable for these dimers,
Kozuch, Sebastian, Martin, Jan M. L.
openaire +3 more sources