Results 31 to 40 of about 45,622 (323)
Estimation of Early Postmortem Interval of Asphyxial Death Rats at Different Ambient Temperatures by GC-MS-Based Metabolomics [PDF]
Fayixue Zazhi, 2020 Objective To establish the orthogonal partial least square （OPLS） model for the estimation of early postmortem interval （PMI） of asphyxial death rats in four ambient temperatures based on gas chromatography-mass spectrometry （GC-MS） metabolomics. Methods
FANG Shi-yong, DAI Xin-hua, XIAO Li, et al.
doaj +1 more source
Diagnostics, 2023 In this study, we looked at the viability of utilizing serum to differentiate between gallbladder (GB) stones and GB polyps using Surface-enhanced Raman spectroscopy (SERS), which has the potential to be a quick and accurate means of diagnosing benign GB
Wubulitalifu Dawuti +8 more
doaj +1 more source
Untargeted metabolomics in doping control : detection of new markers of testosterone misuse by ultrahigh performance liquid chromatography coupled to high-resolution mass spectrometry [PDF]
, 2015 The use of untargeted metabolomics for the discovery of markers is a promising and virtually unexplored tool in the doping control field. Hybrid quadrupole time-of-flight (QTOF) and hybrid quadrupole Orbitrap (Q Exactive) mass spectrometers, coupled to ...
Deventer, Koen +18 more
core +2 more sources
GMS Medizin – Bibliothek – Information“AGMB 2024: Shaping the change – Health information efficient.digial.innovative” was the theme of the annual conference of the German Medical Library Association (AGMB), held in Mainz from September 16 to 18, 2024. The annual meeting was organized by the
Hable, Sieglinde
doaj +1 more source
, 2003 In this paper we compare different force fields that are widely used (Gromacs, Charmm-22/x-Plor, Charmm-27, Amber-1999, OPLS-AA) in biophysical simulations containing aqueous NaCl.
Karttunen, Mikko, Patra, Michael
core +1 more source
Secondary-Structure Design of Proteins by a Backbone Torsion Energy [PDF]
, 2005 We propose a new backbone-torsion-energy term in the force field for protein systems. This torsion-energy term is represented by a double Fourier series in two variables, the backbone dihedral angles phi and psi.
Berendsen H. J. C. +30 more
core +2 more sources
A numerical and an analytical method for optimum planting date determination
Information Processing in Agriculture, 2015 Apart from number and size of machines in a farm, operations scheduling can also affect timeliness costs. In this study a new equation was presented for determination of timeliness costs and it was proven that the new equation is a generalization of the ...
Mahdi Khani +4 more
doaj +1 more source
Current Research in Food Science, 2023 This study presents a method for discriminating the geographical origin of dried chili peppers using femtosecond laser ablation-inductively coupled plasma-mass spectrometry (fsLA-ICP-MS) and multivariate analysis, such as orthogonal partial least squares
Suel Hye Hur +6 more
doaj +1 more source
Getting excited: Challenges in quantum-classical studies of excitons in polymeric systems [PDF]
, 2016 A combination of classical molecular dynamics (MM/MD) and quantum chemical calculations based on the density functional theory (DFT) was performed to describe conformational properties of diphenylethyne (DPE), methylated-DPE and poly para phenylene ...
Bagheri, Behnaz +2 more
core +4 more sources
FEBS Open Bio, EarlyView.We investigated the toxicity of 12 active compounds commonly found in herbal weight loss supplements (WLS) using human liver and colon cell models. Epigallocatechin‐3‐gallate was the only compound showing significant toxicity. Metabolic profiling revealed protein degradation, disrupted energy and lipid metabolism suggesting that the inclusion of EGCG ...
Emily C. Davies +3 more
wiley +1 more source