Nonlinear Dependence on Na+ Ions for the Binding Dynamics of Cucurbit[6]uril with the trans-1-Methyl-4-(4-hydroxystyryl)pyridinium Cation

2020 ◽  
Vol 124 (45) ◽  
pp. 10219-10225
Author(s):  
Hao Tang ◽  
Suma S. Thomas ◽  
Luise Wolf ◽  
Palani Natarajan ◽  
Young Ho Ko ◽  
...  
Keyword(s):  
Nonlinear Dependence ◽  
Pyridinium Cation ◽  
Na Ions

Study of the process of forming a hole for a thread at manufacturing a high nut

2020 ◽  
Vol 76 (8) ◽  
pp. 841-846
Author(s):  
I. G. Shubin ◽  
A. A. Kurkin
Keyword(s):  
Metal Flow ◽  
Nonlinear Dependence ◽  
Geometrical Parameters ◽  
Relative Height ◽  
Forming Process ◽  
Normal Height ◽  
Accuracy Class ◽  
Limit Values ◽  
Program Complex ◽  
Class B

During manufacturing nuts of increased height, a problem of obtaining correct cylindrical form of the hole for thread and overall geometrical parameters arises. To solve the problem it is necessary to know regularity of the blank forming process. Results of the study of a technological process of high hexahedral nuts forming presented. The nuts were M18 of 22 mm height, M16 of 19 mm height and M12 of normal height 10 mm according to GOST 5915–70, accuracy class B, steel grade 10 according to GOST 10702–78. The volumetric stamping was accomplished at the five-position automatic presses of АА1822 type. It was determined, that unevenness of the metal flow in the process of plastic deformation of blanks of increased height nuts was caused by different stress conditions by their sections. To simulate the mode of deformation, the program complex QForm-3D was chosen. The complex ensured to forecast with necessary accuracy the metal flow in a blank, as well as to define the deformation force and arising stress in the working instrument. The simulation showed the presence of regularity between preliminary formed buffle and deviation of dimensions and form of a blank wall after its finishing piercing, which can be expressed by a nonlinear dependence. The limit values of the relative height of the buffle С/D = 0.56–0.588 defined, exceeding which will result in rejection of the finished product. Accounting the limit values of the relative height of the buffle will enable to correct a mode of technological operations and technological instruments at stamping of high hexahedral nuts.

Species specificity of woody trees adaptation at technogenically transformed urbanhabitats of the Kyiv megalopolisis

2014 ◽  
Vol 26 (3-4) ◽  
pp. 42-61
Author(s):  
O. G. Lucyshyn ◽  
I. K. Teslenko
Keyword(s):  
Woody Plants ◽  
Sugar Maple ◽  
Horse Chestnut ◽  
Tilia Cordata ◽  
Technogenic Pollution ◽  
Acer Platanoides ◽  
Norway Maple ◽  
Na Ions ◽  
High Concentrations ◽  
Lombardy Poplar

The recent ecological situation of Kyiv megalopolis has a special specific of environment technogenic pollution as a chemical features and content of polluting phytotoxicants. During 2007–2012, our observation revealed what the most dangerous factors which have harm impact on the street woody plants are the huge concentration of phytotoxic elements (Na+, Cl-, Pb2+, Cd2+). Nowadays, the technogenic impact on the megalopolyisis surrounding comes to the dangerous, even, catastrophic level. The main reason of total and chloral necrose of leaves, the summer defoliation of crown and major tree's death is the over pollution of the soil and plant's phytomass by phytotoxic elements, the concentration of which by standards evaluation and by trees reactions are critical and exists at the level of adaptation possibility and survival. The main sources of Pb2+ and Cd2+ ions are transport outcomes (> 90 % of total technogenic pollution). The increasing of Pb2+ and Cd2+ in the soil is depended from intensivity of transport outcomes, using of ethylated petrol, and location of trees along roads as well as from the trees species. Continuously increasing of number of cars at the city streets is accompanying with similar increasing of ions concentration. Thus, in the soil around root system of street woody plants, depending from their location along roads, the concentration of Pb2+ (moving form) is between 41,7 (I. Kudri str.) and 102,6 mg\kg of soil (Nauki avenue). It exceeds the maximum permissible concentration (MPC), which is 20,8–51,3 mg\kg of soil. Next, for Norway maple (Acer platanoides) the concentration of Pb2+ in the soil varies from 41,7 to 80,5 mg / kg of soil in the area of the root system and it is around 20,8–40,2 MPC. In the leaves of this tree it is 7,83–13,5 mg / kg of dry mass (MPC is 15,8–27,0). For the horse chestnut (Aedculus hippocastanum) at the Nauka avenue, the concentration of plumbum in the root is 13,4 mg / kg (MPC is 26,8), in the cortex – 17,7 mg / kg (MPC is 35,4), in leaves – 8,21 mg / kg (MPC is 16,4), which by the normative evaluation are the critical concentrations. The source of Na+ and Cl-, which is a new factor for Kyiv megalopolis, is irregular load of high concentrations of industrial salt NaCl into the environment, as a way against black ice in winter time, where the Na+ ions ( mobile form) is in the high concentrations in leaves (0,76 % for Norway maple (Acer platanoides) on the I. Kudri str., 1,28 % – small-leaved linden (Tilia cordata) at the 40-richya Zhovtnya ave, 2,0 % – horse chestnut (Aedculus hippocastanum) at the Nauki ave), those are exceeded the concentration of the element comparing to the control test object, respectively, in 10,6, 12,8 and 5,0 times. Na+ ions are an aggressive phytotoxins and the main factor of leaves necrose of tree crown (within 70–100 % necrosis leaves in the crown). Degradation and total reduction of the specific weight of plants in the megalopolis environment are decrease the cleaning role of the street tree plants, which are the main alive filters for soil and air cleaning, as well as the main bioaccumulators and detoxicants of harm substances of anthropogenic pollution. Species adaptive specificity is revealed at the bioaccumulation level and the selective locality of phytotoxic elements (Na+, Cl-, Pb2+, Cd2+, agile form) in technourbanhabitats-pic conditions, there dominated bioaccumulation and localization of Na+ ions by trees assimilative system is caused the adaptive orientation of endogenic and intraspecific variability of phytoindicative morphophysiologic features of plants functional condition under the stressing factors. This also is defined the sensitivity of small-leaved linden (Tilia cordata Mill.), norway maple (Acer platanoides L.) and horse chestnut (Aesculus hippocastanum L.) to the big concentration of potassium as the most danger one for the plant survival. The biggest accumulation of Na+ ions at the roots of Lombardy poplar (Populus pyramidalis Roz.), Bolle's poplar (Populus bolleana Lauche) and sugar maple (Acer saccharinum L.) is lead to a higher resistance of their assimilation system. At the technourbohabitate-pic conditions, the level of realization of ontogenetic and phylogenetic adaptive capacity of the sensitive species of trees is harmfully low (21,3–44,3 %). It is at the level of survival/death of plants. The street Lombardy poplar, Bolle's poplar and sugar maple, despite of more higher level of their adaptation (68,4–87,7 %), still also can't fully adapt to the critical levels of technogenic pollution of megalopolis environment. 

Determination of Base Flipping Free Energy Landscapes from Nonequilibrium Stratification

2019 ◽  
Author(s):  
Xiaohui Wang ◽  
Zhaoxi Sun
Keyword(s):  
Free Energy ◽  
Energy Landscape ◽  
Sampling Technique ◽  
Umbrella Sampling ◽  
Energy Simulation ◽  
Nonlinear Dependence ◽  
Free Energy Landscape ◽  
Convergence Criterion ◽  
Base Flipping ◽  
Convergence Behavior

<p>Correct calculation of the variation of free energy upon base flipping is crucial in understanding the dynamics of DNA systems. The free energy landscape along the flipping pathway gives the thermodynamic stability and the flexibility of base-paired states. Although numerous free energy simulations are performed in the base flipping cases, no theoretically rigorous nonequilibrium techniques are devised and employed to investigate the thermodynamics of base flipping. In the current work, we report a general nonequilibrium stratification scheme for efficient calculation of the free energy landscape of base flipping in DNA duplex. We carefully monitor the convergence behavior of the equilibrium sampling based free energy simulation and the nonequilibrium stratification and determine the empirical length of time blocks required for converged sampling. Comparison between the performances of equilibrium umbrella sampling and nonequilibrium stratification is given. The results show that nonequilibrium free energy simulation is able to give similar accuracy and efficiency compared with the equilibrium enhanced sampling technique in the base flipping cases. We further test a convergence criterion we previously proposed and it comes out that the convergence behavior determined by this criterion agrees with those given by the time-invariant behavior of PMF and the nonlinear dependence of standard deviation on the sample size. </p>

ИЗУЧЕНИЕ СТРУКТУРЫ ДНК В ПЛЕНКАХ МЕТОДОМ ИК-ФУРЬЕ-СПЕКТРОСКОПИИ

2020 ◽  
Vol 65 (6) ◽  
pp. 1058-1064
Author(s):  
С.В. Пастон ◽  
◽  
А.М. Поляничко ◽  
О.В. Шуленина ◽  
Д.Н. Осинникова ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Hydration Shell ◽  
Aqueous Environment ◽  
Ir Absorption ◽  
Sodium Ions ◽  
High Molecular Weight Dna ◽  
Dna Hydration ◽  
Na Ions ◽  
Phosphate Groups ◽  
Dna Film

The aqueous environment and ionic surrounding are the most important factors determining the conformation of DNA and its functioning in the cell. The specificity of the interaction between DNA and cations is especially pronounced with a decrease in water activity. In this work, we studied the B-A transition in high molecular weight DNA with a decrease of humidity in the film with different contents of Na+ ions using FTIR spectroscopy. The IR spectrum of DNA is not only very sensitive to the state of its secondary structure, but also allows us to estimate the amount of water bound to DNA. Upon dehydration of the DNA film, changes characteristic of the B-A transition were observed in the IR absorption spectrum. Using thermogravimetric analysis, it was shown that the degree of DNA hydration reaches the saturation level at a relative humidity of 60% and decreases slightly upon further drying. It has been established that with increasing Na+ concentration, the amount of water strongly bound to DNA decreases. Along with it, sodium ions destroy the hydration shell of DNA and are able to interact directly with phosphate groups.

The effect of partial exchange of sulphonated macroporous styrene-divinylbenzene copolymers for different ions on their catalytic activity

1981 ◽  
Vol 46 (10) ◽  
pp. 2354-2363 ◽  
Author(s):  
Svatomír Kmošták ◽  
Karel Setínek
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Metal Ions ◽  
Gas Phase ◽  
Transition Metal Ions ◽  
Exchange Capacity ◽  
Total Exchange Capacity ◽  
Styrene Divinylbenzene ◽  
Na Ions ◽  
Type Of Transition

The catalytic activity of sulphonated macroporous styrene-divinylbenzene copolymers, the exchange capacity of which was neutralized from 30, 50 and 80% by Fe(III) ions and from 30% by Na ions and that of Wofatit Y-37 ion exchanger neutralized from 10% of its total exchange capacity by several transition metal ions and by sodium has been studied in isomerisation of cyclohexene and dehydration of 1-propanol in the gas phase at 130 °C. It was demonstrated that in both reactions transition metal ions exhibit additional effect to the expected neutralization of the polymer acid groups. In the case of cyclohexene isomerization, this effect depends on the degree of crosslinking of polymer mass of the catalyst. Such dependence has not been, however, observed in dehydration of 1-propanol. The type of transition metal ions did not exhibit any significant effect on the catalytic activity of the polymer catalysts studied.

Ionic conductivity and dielectric properties of bulk SPP-PEG hydrogel as Na+ ion based SPE material for energy storage applications

2021 ◽  
Author(s):  
Rudramani Tiwari ◽  
Dipendra Kumar Verma ◽  
Devendra Kumar ◽  
Shashikant Yadav ◽  
Krishna Kumar ◽  
...  
Keyword(s):  
Polyethylene Glycol ◽  
Energy Storage ◽  
Dielectric Properties ◽  
Ionic Conductivity ◽  
Green Chemistry ◽  
Sodium Polyphosphate ◽  
Na Ions ◽  
Energy Storage Applications

Green SPP-PEG hydrogel material, containing Na+ ions, has been synthesized by green chemistry methodology using sodium polyphosphate and polyethylene glycol in water. Hydrogel has amorphous morphology and sandwiched matrix with...

Preparation and Characterization of Egyptian Granite Based Glass with Different Na+ Ions Content

Silicon ◽  
2021 ◽  
Author(s):  
M. Y. Hassaan ◽  
H. A. Saudi ◽  
H. H. El-Bahnasawy ◽  
A. A. Bendary ◽  
A. S. Abdel-Moety
Keyword(s):  
Na Ions

scholarly journals Temperature effects on sodium pump phosphoenzyme distribution in human red blood cells.

1985 ◽  
Vol 85 (1) ◽  
pp. 123-136 ◽  
Author(s):  
J H Kaplan ◽  
L J Kenney
Keyword(s):  
Atpase Activity ◽  
Cell Membranes ◽  
Conformational Transition ◽  
Fold Increase ◽  
Inhibitory Effect ◽  
Red Cell ◽  
Na Pump ◽  
Na Ions ◽  
Red Cell Membranes ◽  
Increasing Temperature

Phosphorylation of red cell membranes at ambient temperatures with micromolar [32P]ATP in the presence of Na ions produced phosphoenzyme that was dephosphorylated rapidly upon the addition of ADP or K ions. However, as first observed by Blostein (1968, J. Biol. Chem., 243:1957), the phosphoenzyme formed at 0 degrees C under otherwise identical conditions was insensitive to the addition of K ions but was dephosphorylated rapidly by ADP. This suggested that the conformational transition from ADP-sensitive, K-insensitive Na pump phosphoenzyme (E1 approximately P) to K-sensitive, ADP-insensitive phosphoenzyme (E2P) is blocked at 0 degrees C. Since the ATP:ADP exchange reaction is a partial reaction of the overall enzyme cycle dependent upon the steady state level of E1 approximately P that is regulated by [Na], we examined the effects of temperature on the curve relating [Na] to ouabain-sensitive ATP:ADP exchange. The characteristic triphasic curve seen at higher temperatures when [Na] was between 0.5 and 100 mM was not obtained at 0 degrees C. Simple saturation was observed instead with a K0.5 for Na of approximately 1 mM. The effect of increasing temperature on the ATP:ADP exchange at fixed (150 mM) Na was compared with the effect of increasing temperature on (Na + K)-ATPase activity of the same membrane preparation. It was observed that (a) at 0 degrees C, there was significant ouabain-sensitive ATP:ADP exchange activity, (b) at 0 degrees C, ouabain-sensitive (Na + K)-ATPase activity was virtually absent, and (c) in the temperature range 5-37 degrees C, there was an approximately 300-fold increase in (Na + K)-ATPase activity with only a 9-fold increase in the ATP:ADP exchange. These observations are in keeping with the suggestion that the E1 approximately P----E2P transition of the Na pump in human red cell membranes is blocked at 0 degrees C. Previous work has shown that the inhibitory effect of Na ions and the low-affinity stimulation by Na of the rate of ATP:ADP exchange occur at the extracellular surface of the Na pump. The absence of both of these effects at 0 degrees C, where E1 approximately P is maximal, supports the idea that external Na acts through sites on the E2P form of the phosphoenzyme.

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