The new SARS-CoV-2 strain shows a stronger binding affinity to ACE2due to N501Y mutant

SARS-CoV-2 is a global challenge due to its ability to spread much faster than the SARS-CoV, which was attributed to the mutations in the receptor binding domain (RBD). These mutations enhanced the electrostatic interactions. Recently, a new strain is reported in the UK that includes a mutation (N501Y) in the RBD, that is possibly increasing the infection rate. Here, using Molecular Dynamics simulations (MD) and Monte Carlo (MC) sampling, we show that the N501 mutation enhanced the electrostatic interactions due to the formation of a strong hydrogen bond between SARS-CoV-2-T500 and ACE2-D355 near the mutation site. In addition, we observed that the electrostatic interactions between the SARS-CoV-2 and ACE2 in the wild type and the mutant are dominated by salt-bridges formed between SARS-CoV-2-K417 and ACE2-D30, SARS-CoV-2-K458, ACE2-E23, and SARS-CoV-2-R403 and ACE2-E37. These interactions contributed more than 40% of the total binding energies

The New SARS-CoV-2 Strain Shows a Stronger Binding Affinity to ACE2 Due to N501Y Mutation

SARS-CoV-2 is a global challenge due to its ability to spread much faster than SARS-CoV, which was attributed to the mutations in the receptor binding domain (RBD). These mutations enhanced the electrostatic interactions. Recently, a new strain was reported in the UK that includes a mutation (N501Y) in the RBD, that possibly increases the infection rate. Using Molecular Dynamics simulations (MD) and Monte Carlo (MC) sampling, we showed that the N501 mutation enhances the electrostatic interactions due to the formation of a strong hydrogen bond between SARS-CoV-2-T500 and ACE2-D355 near the mutation site. In addition, we observed that the electrostatic interactions between the SARS-CoV-2 and ACE2 in the wild type and the mutant are dominated by salt-bridges formed between SARS-CoV-2-K417 and ACE2-D30, SARS-CoV-2-K458, ACE2-E23, and SARS-CoV-2-R403 and ACE2-E37. These interactions contributed more than 40 % of the total binding energies

Gambaran Diatomea pada Perairan Muara Sungai Rokan Kecamatan Bangko dan Kecamatan Batu Hampar Kabupaten Rokan Hilir sebagai Diagnosis Penunjang Identifikasi Lokasi Korban Mati Tenggelam

Diatomea investigation in the body of drowning victims is one of important investigation todetermination the drowning victims location. Diatomea is sould in the lung or another organfrom the body of victims as prove of drowning intra-vitality it means the victims are still alivewhen they are in the water and they are dead because of it. Diatomea species determining can beconcluded as a supporting diagnose to identify the location of drowning victims by comparingthe diatomea in the victims body with diatomea species in the water this research is a descriptiveresearch which is purposed for recognizing the species and the diatomea abundant in theRokan's River Estuary of Bangko Sub-district and Batu Hampar Sub-district Rokan HilirRegency this research sample is taken from five research of stasions as purposive sampling. Thisresearch was done in April and May 2013 at Rokan's River Estuary in Sub-district BangkoAnd Subdistrict Batu Hampar Rokan Hilir Regency. Diatomea investigation was done by usingBinocular microscope. This determining was done by using Masaharu and Yunfang atlas theabundant was searched by counted and numbered by using American Public Health Associations(APHA) formula.Diatomea was founded eight species they are: Aulocoseira sp, Diatoma sp, Nitzchia sp,Isthmia sp, Melosira sp, Navicula sp, Skeletonema sp, Bitdulphia sp. The abundant of diatomeais founded 11152,2 sel/L when the water comes up and I found 9132,6 sel/L when the water comedown with the Diatoma sp as the most dominant diatomea as a mount as 4986,4 sel/L when thewater comes up and with diatoma sp as the most dominant Diatomea as amount as 3799,8 sel/L

Comparing the binding interactions in the receptor binding domains of SARS-CoV-2 and SARS-CoV

COVID-19, since emerged in Wuhan, China, has been a major concern due to its high infection rate, leaving more than one million infected people around the world. Huge number of studies tried to reveal the structure of the SARS-CoV-2 compared to the SARS-CoV-1, in order to suppress this high infection rate. Some of these studies showed that the mutations in the SARS-CoV-1 Spike protein might be responsible for its higher affinity to the ACE2 human cell receptor. In this work, we used molecular dynamics simulations and Monte Carlo sampling to compare the binding affinities of the spike proteins of SARS-CoV and SARS-CoV-2 to the ACE2. We found that the SARS-CoV-2 binds to ACE2 stronger than SARS-CoV by 7 kcal/mol, due to enhanced electrostatic interactions. The major contributions to the electrostatic binding energies are resulting from the salt-bridges formed between R426 and ACE2-E329 in case of SARS-CoV and K417 and ACE2-D30 for SARS-CoV2. In addition, there is no significant contribution from a single mutant to the binding energies. However, these mutations induce sophisticated structural changes that enhance the binding energies. Our results also indicate that the SARS-CoV-2 is unlikely a lab engineered virus

Medium Energy Ion Scattering of Gr on SiC(0001) and Si(100)

Depth profiling of graphene with high-resolution ion beam analysis is a practical method for analysis of monolayer thicknesses of graphene. Not only is the energy resolution sufficient to resolve graphene from underlying SiC, but by use of isotope labeling it is possible to tag graphene generated from reacted ethylene. Furthermore, we are able to analyze graphene supported by oxidized Si(100) substrates, allowing the study of graphene films grown by chemical vapor deposition on metal and transfered to silicon. This introduces a powerful method to explore the fundamentals of graphene formation

A unified global investigation on the spectral effects of soiling losses of PV glass substrates: preliminary results

This is the author accepted manuscript. The final version is available from IEEE via the DOI in this recordThe present work reports on the initial results of an international collaboration aiming to investigate the spectral effects of soiling losses. Identical glass coupons have been exposed outdoors for eight weeks in different locations worldwide, and weekly direct and hemispherical transmittance (T%) measurements are compared. Maximum losses as high as 7% and 50% in hemispherical and direct transmittance, respectively, have been found during the 8-week outdoor exposure. At the end of the data collection, a preliminary analysis of the spectral impact of soiling has been performed. The results show that the blue end of the spectrum is more affected and that lower hemispherical T% correlate to larger area covered by particles.Engineering and Physical Sciences Research Council (EPSRC)US Department of Energ

ITO‐Free, Compact, Color Liquid Crystal Devices Using Integrated Structural Color Filters and Graphene Electrodes

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/106994/1/adom201300525.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/106994/2/adom201300525-sup-0001-S1.pd