Search results for "Maxima"
showing 10 items of 371 documents
Are most of the stationary points in a molecular association minima? Application of Fraga's potential to benzene-benzene
1993
The importance of characterizing the stationary points of the intermolecular potential by means of Hessian eigenvalues is illustrated for the calculation of the benzene–benzene interaction using an atom-to-atom pair potential proposed by Fraga (FAAP). Two models, the standard one-center-per atom and another using three-centers-per atom due to Hunter and Sanders, are used to evaluate the electrostatic contributions and the results are compared. It is found in both cases that although using low-gradient thresholds allows optimization procedures to avoid many stationary points that are not true minima computing time considerations makes the usual procedure of using high-gradient thresholds [sa…
AMYR 2: A new version of a computer program for pair potential calculation of molecular associations
1998
AMYR is a computer program for the calculation of molecular associations using Fraga's pairwise atom-atom potential. The interaction energy is evaluated through a 1R expansion. The electrostatic energy is calculated through either the one-centre-per atom or the three-centres-per atom model by Hunter and Sanders. A pairwise dispersion energy term is included in the potential and corrected by a damping function. The program carries out energy minimizations through variable metric methods. The new version allows for the stationary point analysis of the intermolecular potential by means of the Hessian eigenvalues. Although using low-gradient thresholds optimization procedures to avoid many stat…
On Sets of Words of Rank Two
2019
Given a (finite or infinite) subset X of the free monoid A∗ over a finite alphabet A, the rank of X is the minimal cardinality of a set F such that X⊆ F∗. A submonoid M generated by k elements of A∗ is k-maximal if there does not exist another submonoid generated by at most k words containing M. We call a set X⊆ A∗ primitive if it is the basis of a |X|-maximal submonoid. This extends the notion of primitive word: indeed, w is a primitive set if and only if w is a primitive word. By definition, for any set X, there exists a primitive set Y such that X⊆ Y∗. The set Y is therefore called a primitive root of X. As a main result, we prove that if a set has rank 2, then it has a unique primitive …
Models with three Higgs doublets in the triplet representations of A4 or S4
2013
We consider the quark sector of theories containing three scalar SU(2)(L) doublets in the triplet representation of A(4) (or S-4) and three generations of quarks in arbitrary A(4) (or S-4) representations. We show that for all possible choices of quark field representations and for all possible alignments of the Higgs vacuum expectation values that can constitute global minima of the scalar potential, it is not possible to obtain simultaneously nonvanishing quark masses and a nonvanishing CP-violating phase in the Cabibbo-Kobayashi-Maskawa quark mixing matrix. As a result, in this minimal form, models with three scalar fields in the triplet representation of A(4) or S-4 cannot be extended t…
Breakdown of high-energy phosphate compounds and lactate accumulation during short supramaximal exercise.
1987
Muscle ATP, creatine phosphate and lactate, and blood pH and lactate were measured in 7 male sprinters before and after running 40, 60, 80 and 100 m at maximal speed. The sprinters were divided into two groups, group 1 being sprinters who achieved a higher maximal speed (10.07 +/- 0.13 m X s-1) than group 2 (9.75 +/- 0.10 m X s-1), and who also maintained the speed for a longer time. The breakdown of high-energy phosphate stores was significantly greater for group 1 than for group 2 for all distances other than 100 m; the breakdown of creatine phosphate for group 1 was almost the same for 40 m as for 100 m. Muscle and blood lactate began to accumulate during the 40 m exercise. The accumulat…
Physiological responses of running intermittent exercises
2012
The aims of the present work were to analyze the physiological responses during intermittent exercise and to determine; i) an field test to assess the maximal aerobic velocity (MAV) for intermittent exercise; ii) the type of intermittent exercise could elicit maximal oxygen uptake (VO2max); iii) the physiological and neuromuscular factors that could limit intermittent exercise duration.The first study demonstrated that the MAV (MAV45-15) reached at the end of an incremental intermittent (45s run/ 15s rest) field test (45-15FIT) was relevant to elicit a high percentage of VO2max during a 30s-30s intermittent training session. The second and third studies demonstrated that intermittent exerci…
A New Fitness Test of Estimating VO2max in Well-Trained Rowing Athletes
2021
BackgroundThis study was designed to investigate the validity of maximal oxygen consumption (VO2max) estimation through the Firstbeat fitness test (FFT) method when using submaximal rowing and running programs for well-trained athletes.MethodsWell-trained flatwater rowers (n = 45, 19.8 ± 3.0 years, 184 ± 8.7 cm, 76 ± 12.9 kg, and 58.7 ± 6.0 mL⋅kg–1⋅min–1) and paddlers (n = 45, 19.0 ± 2.5 years, 180 ± 7.7 cm, 74 ± 9.4 kg, and 59.9 ± 4.8 mL⋅kg–1⋅min–1) completed the FFT and maximal graded exercise test (GXT) programs of rowing and running, respectively. The estimated VO2max was calculated using the FFT system, and the measured VO2max was obtained from the GXT programs. Differences between the…
Classification or non-classification of substances with positive tumor findings in animal studies: Guidance by the German MAK commission
2019
One of the important tasks of the German Senate Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area (known as the MAK Commission) is in the evaluation of a potential for carcinogenicity of hazardous substances at the workplace. Often, this evaluation is critically based on data on carcinogenic responses seen in animal studies and, if positive tumor responses have been observed, this will mostly lead to a classification of the substance under investigation into one of the classes for carcinogens. However, there are cases where it can be demonstrated with a very high degree of confidence that the tumor findings in the experimental animals are not relevant…
HPLC-UV/Vis-APCI-MS/MS Determination of Major Carotenoids and Their Bioaccessibility from "Delica" (Cucurbita maxina) and "Violina" (Cucurbita moscha…
2018
Carotenoids are a widespread group of fat-soluble pigments, and their major nutritional importance comes from their pro-vitamin A activity and their antioxidant capacity. In this study, two different pumpkin cultivars (Cucurbita maxima, also named `Delica&rsquo
Neuronal nitric oxide synthase is involved in CB/TRPV1 signalling: Focus on control of hippocampal hyperexcitability
2017
Cannabinoids (CB), transient receptors potential vanilloid type 1 (TRPV1) and nitric oxide (NO) were found to be interlinked in regulating some neuronal functions such as membrane excitability and synaptic transmission. TRPV1 play a fundamental role since it represents a synaptic target for CB that triggers several downstream cellular pathways. In this regard, recent evidence report that TRPV1 could influence NO production by modulating neuronal NO synthase (nNOS) activity. In the present research, we pointed to manipulate nNOS function to assess its role on TRPV1 signalling in hyperexcitability conditions elicited in the dentate gyrus of hippocampal formation. The activation of TRPV1 recep…