Evaluating the stability of disulfide bridges in proteins: a torsional potential energy surface for diethyl disulfide

Disulfide bonds formed by the oxidation of cysteine residues in proteins are the major form of intra- and inter-molecular covalent linkages in the polypeptide chain. To better understand the conformational energetics of this linkage, we have used the MP2(full)/6-31G(d) method to generate a full potential energy surface (PES) for the torsion of the model compound diethyl disulfide (DEDS) around its three critical dihedral angles (&chi;2, &chi;3, &chi;2&prime;). The use of ten degree increments for each of the parameters resulted in a continuous, fine-grained surface. This allowed us to accurately predict the relative stabilities of disulfide bonds in high resolution structures from the Protein Data Bank. The MP2(full) surface showed significant qualitative differences from the PES calculated using the Amber force field. In particular, a different ordering was seen for the relative energies of the local minima. Thus, Amber energies are not reliable for comparison of the relative stabilities of disulfide bonds. Surprisingly, the surface did not show a minimum associated with &chi;2 &minus; 60&deg;, &chi;390, &chi;2&prime; &minus; 60&deg;. This is due to steric interference between H&alpha; atoms. Despite this, significant populations of disulfides were found to adopt this conformation. In most cases this conformation is associated with an unusual secondary structure motif, the cross-strand disulfide. The relative instability of cross-strand disulfides is of great interest, as they have the potential to act as functional switches in redox processes.<br /

Potential Hazards in the Loading and Unloading Process: Risk Analysis with Job Safety Analysis and Hazard Operability Study Methods

Loading companies have a high accident risk because the services that they provide involve a lot cargo moving in out of cargo ships. Job Safety Analysis (JSA) and Hazard and Operability Study (HAZOPs) are common risk management procedures that a company should follow to ensure the safety of the workers by measuring the risks and preparing strategies to control the hazards. This research aims to identify, assess and manage the occupational health and safety of the workers during loading processes in the container terminal of PT Pelindo IV (persero) in Makassar in 2019. It investigates the issue by employing descriptive quantitative method and observational approach. Observational approach allows this research to describe the stages of loading process through observations that utilize work sheet Job Safety Analysis (JSA), Hazard and Operability Study (HAZOPs) and AS/NZS 4360:2004. The research samples consist of 157 respondents who are selected using proportionate stratified random sampling technique. The research findings identify some hazards of loading process including physical, mechanical and ergonomic hazards with mechanical hazard having the highest level of hazard by 74.5% particularly in Haulage/Trucking area. The risk assessment indicates that undesirablerisks on the first, third, fourth and fifth work stages are categorized into acceptable with control on the second work stage.

Search for black holes and other new phenomena in high-multiplicity final states in proton-proton collisions at root s=13 TeV

Peer reviewe

Search for high-mass diphoton resonances in proton-proton collisions at 13 TeV and combination with 8 TeV search

Peer reviewe

Search for heavy resonances decaying into a vector boson and a Higgs boson in final states with charged leptons, neutrinos, and b quarks

Peer reviewe

Search for leptophobic Z ' bosons decaying into four-lepton final states in proton-proton collisions at root s=8 TeV

Peer reviewe

Performance of reconstruction and identification of τ leptons decaying to hadrons and vτ in pp collisions at √s=13 TeV

The algorithm developed by the CMS Collaboration to reconstruct and identify τ leptons produced in proton-proton collisions at √s=7 and 8 TeV, via their decays to hadrons and a neutrino, has been significantly improved. The changes include a revised reconstruction of π⁰ candidates, and improvements in multivariate discriminants to separate τ leptons from jets and electrons. The algorithm is extended to reconstruct τ leptons in highly Lorentz-boosted pair production, and in the high-level trigger. The performance of the algorithm is studied using proton-proton collisions recorded during 2016 at √s=13 TeV, corresponding to an integrated luminosity of 35.9 fb¯¹. The performance is evaluated in terms of the efficiency for a genuine τ lepton to pass the identification criteria and of the probabilities for jets, electrons, and muons to be misidentified as τ leptons. The results are found to be very close to those expected from Monte Carlo simulation

Search for W ' -> tb in proton-proton collisions at root s=8 TeV

Peer reviewe

Search for a Higgs boson decaying into γ*γ→ℓℓγ with low dilepton mass in pp collisions at √s=8 TeV

A search is described for a Higgs boson decaying into two photons, one of which has an internal conversion to a muon or an electron pair ( ℓℓγ ). The analysis is performed using proton–proton collision data recorded with the CMS detector at the LHC at a centre-of-mass energy of 8 TeV, corresponding to an integrated luminosity of 19.7 fb −1 . The events selected have an opposite-sign muon or electron pair and a high transverse momentum photon. No excess above background has been found in the three-body invariant mass range 12