scholarly journals Prediction of the biological activity of a compound depending on its NH-acidity

2021 ◽  
Vol 11 (3) ◽  
pp. 497-501
Author(s):  
G. B. Nedvetskaya ◽  
Yu. A. Aizina
Keyword(s):  
Biological Activity ◽  
Dissociation Constant ◽  
General Formula ◽  
Linear Dependence ◽  
Building Blocks ◽  
Full Potential ◽  
Acid Base ◽  
Diverse Range ◽  
Antidiabetic Effect ◽  
Biological Potential

Abstract: Acetamides are building blocks for the synthesis of compounds containing pharmacophores in their structure, manifesting a diverse range of biological activity. The drugs based on these substances possess antidiabetic effect and inhibit blood coagulation. Some of them act as chemosensitizers (i.e., cancer cell inhibitors). However, the full potential of these compounds remains to be fully accomplished. In a previous study, we synthesised acetamides with the RCONHCH (R´) CCl3 general formula (where R = CH3, CH2Cl; R´ = C6H5, C6H4CH3, C6H4OCH3, C6H4OH) and studied their acid-base behaviour. The NH-acidity of the studied acetamides is controlled by the polar effects of substituents. In this paper, the potential biological activity of the previously obtained acetamides is calculated, and the dependence of their biological potential on the NH-acidity values is elucidated. Prediction of biological activity was carried out using the PASS software. An analysis of the types of biological activity occurring in all compounds allowed us to determine a linear dependence between the probability of biological potential and the value of dissociation constant.

Synthesis and Biological Potentials of Quinoline Analogues: A Review of Literature

2019 ◽  
Vol 16 (7) ◽  
pp. 653-688 ◽  
Author(s):  
Leena Kumari ◽  
Salahuddin ◽  
Avijit Mazumder ◽  
Daman Pandey ◽  
Mohammad Shahar Yar ◽  
...  
Keyword(s):  
Biological Activity ◽  
Heterocyclic Compounds ◽  
Building Blocks ◽  
Vital Role ◽  
Review Of Literature ◽  
Drug Discovery Process ◽  
Active Compounds ◽  
Lead Compounds ◽  
Synthetic Approaches ◽  
Derivatives Of

Heterocyclic compounds are well known for their different biological activity. The heterocyclic analogs are the building blocks for synthesis of the pharmaceutical active compounds in the organic chemistry. These derivatives show various type of biological activity like anticancer, antiinflammatory, anti-microbial, anti-convulsant, anti-malarial, anti-hypertensive, etc. From the last decade research showed that the quinoline analogs plays a vital role in the development of newer medicinal active compounds for treating various type of disease. Quinoline reported for their antiviral, anticancer, anti-microbial and anti-inflammatory activity. This review will summarize the various synthetic approaches for synthesis of quinoline derivatives and to check their biological activity. Derivatives of quinoline moiety plays very important role in the development of various types of newer drugs and it can be used as lead compounds for future investigation in the field of drug discovery process.

Total weak acid concentration and effective dissociation constant of nonvolatile buffers in human plasma

2001 ◽  
Vol 91 (3) ◽  
pp. 1364-1371 ◽  
Author(s):  
Peter D. Constable
Keyword(s):  
Dissociation Constant ◽  
Human Plasma ◽  
Total Concentration ◽  
Weak Acid ◽  
Strong Ion Difference ◽  
Acid Base ◽  
Horse Plasma ◽  
Using Data ◽  
Species Specific

The strong ion approach provides a quantitative physicochemical method for describing the mechanism for an acid-base disturbance. The approach requires species-specific values for the total concentration of plasma nonvolatile buffers (Atot) and the effective dissociation constant for plasma nonvolatile buffers ( K a), but these values have not been determined for human plasma. Accordingly, the purpose of this study was to calculate accurate Atot and K a values using data obtained from in vitro strong ion titration and CO2tonometry. The calculated values for Atot (24.1 mmol/l) and K a (1.05 × 10−7) were significantly ( P < 0.05) different from the experimentally determined values for horse plasma and differed from the empirically assumed values for human plasma (Atot = 19.0 meq/l and K a = 3.0 × 10−7). The derivatives of pH with respect to the three independent variables [strong ion difference (SID), Pco 2, and Atot] of the strong ion approach were calculated as follows: [Formula: see text] [Formula: see text], [Formula: see text]where S is solubility of CO2 in plasma. The derivatives provide a useful method for calculating the effect of independent changes in SID+, Pco 2, and Atot on plasma pH. The calculated values for Atot and K a should facilitate application of the strong ion approach to acid-base disturbances in humans.

scholarly journals The organisation and functions of local Ca2+ signals

2001 ◽  
Vol 114 (12) ◽  
pp. 2213-2222 ◽  
Author(s):  
Martin D. Bootman ◽  
Peter Lipp ◽  
Michael J. Berridge
Keyword(s):  
Cell Proliferation ◽  
Gene Transcription ◽  
Cell Biology ◽  
Building Blocks ◽  
Cell Types ◽  
Diverse Range ◽  
Cellular Processes ◽  
Different Cell Types ◽  
Intracellular Messenger ◽  
Sensory Mechanisms

Calcium (Ca2+) is a ubiquitous intracellular messenger, controlling a diverse range of cellular processes, such as gene transcription, muscle contraction and cell proliferation. The ability of a simple ion such as Ca2+ to play a pivotal role in cell biology results from the facility that cells have to shape Ca2+ signals in space, time and amplitude. To generate and interpret the variety of observed Ca2+ signals, different cell types employ components selected from a Ca2+ signalling ‘toolkit’, which comprises an array of homeostatic and sensory mechanisms. By mixing and matching components from the toolkit, cells can obtain Ca2+ signals that suit their physiology. Recent studies have demonstrated the importance of local Ca2+ signals in defining the specificity of the interaction of Ca2+ with its targets. Furthermore, local Ca2+ signals are the triggers and building blocks for larger global signals that propagate throughout cells.

scholarly journals Nickel(II)-Based Building Blocks with Schiff Base Derivatives: Experimental Insights and DFT Calculations

Molecules ◽  
2021 ◽  
Vol 26 (17) ◽  
pp. 5316
Author(s):  
Néstor Novoa ◽  
Carolina Manzur ◽  
Thierry Roisnel ◽  
Samia Kahlal ◽  
Jean-Yves Saillard ◽  
...  
Keyword(s):  
Schiff Base ◽  
General Formula ◽  
Metal Ion ◽  
Density Functional ◽  
Building Blocks ◽  
Switching Behavior ◽  
Planar Geometry ◽  
Centrosymmetric Dimer ◽  
Square Planar ◽  
Tridentate Schiff Base

We have recently reported a series of neutral square planar tridentate Schiff base (L) complexes of the general formula [(L)M(py)], showing relatively high first-order hyperpolarizabilities and NLO redox switching behavior. In the present study, new members of this family of compounds have been prepared with the objective to investigate their potential as building blocks in the on-demand construction of D-π-A push–pull systems. Namely, ternary nickel(II) building blocks of general formula [(LA/D)Ni(4-pyX)] (4–7), where LA/D stands for an electron accepting or donating dianionic O,N,O-tridentate Schiff base ligand resulting from the monocondensation of 2-aminophenol or its 4-substituted nitro derivative and β-diketones R-C(=O)CH2C(=O)CH3 (R = methyl, anisyl, ferrocenyl), and 4-pyX is 4-iodopyridine or 4-ethynylpyridine, were synthesized and isolated in 60–78% yields. Unexpectedly, the Sonogashira cross-coupling reaction between the 4-iodopyridine derivative 6 and 4-ethynylpyridine led to the formation of the bis(4-pyridyl) acetylene bridged centrosymmetric dimer [{(LD)Ni}2(µ2-py-C≡C-py)] (8). Complexes 4–8 were characterized by elemental analysis, FT-IR and NMR spectroscopy, single crystal X-ray diffraction and computational methods. In each compound, the four-coordinate Ni(II) metal ion adopts a square planar geometry with two nitrogen and two oxygen atoms as donors occupying trans positions. In 8, the Ni…Ni separation is of 13.62(14) Å. Experimental results were proved and explained theoretically exploiting Density Functional Theory calculations.

Design of a Low Inductance Power Module Based on Low Temperature Co-fired Ceramic

2016 ◽  
Vol 2016 (CICMT) ◽  
pp. 000032-000038
Author(s):  
Atanu Dutta ◽  
Simon S. Ang
Keyword(s):  
Low Temperature ◽  
Coefficient Of Thermal Expansion ◽  
Semiconductor Devices ◽  
Building Blocks ◽  
Wide Bandgap ◽  
Switching Frequency ◽  
Full Potential ◽  
Power Electronic ◽  
Power Module ◽  
Parasitic Inductance

Abstract Efficient, compact, and reliable power electronic modules are building blocks of modern day power electronic systems. In recent times, wide bandgap semiconductor devices, such as, silicon carbide (SiC) and gallium nitride (GaN), are widely investigated and used in the power electronic modules to realize power dense, highly efficient, and fast switching modules for various applications. For high power applications is it required to parallel and series several devices to achieve high current and high voltage specifications, which results in larger current conducting traces. One of the major obstacles in using these wideband gap power semiconductor devices are the internal module stray inductance that is associated with these current conducting traces. With increasing demand for higher switching frequency, the internal module parasitic inductance must be reduced to as minimum as possible in order to utilize the full potential of the wide bandgap devices. A multi-layer approach of low-temperature co-fired ceramic (LTCC) to package the wide bandgap devices is investigated. The multi-layer design freedom by using LTCC can be utilized to reduce the footprint of the overall power module, electrical interconnects, hence, reducing the package parasitic inductance. LTCC also facilitates high temperature operations and has a coefficient of thermal expansion matching with wide bandgap devices. In this paper, we report on a LTCC based power module design where LTCC is utilized as an isolation layer between the source and the drain of the power devices. A simulation based parasitic inductance analysis and electro-thermal-mechanical study is performed using ANSYS Workbench Tools to investigate the feasibility of this LTCC based design.

Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks

2014 ◽  
Vol 43 (19) ◽  
pp. 7006-7019 ◽  
Author(s):  
Matteo Atzori ◽  
Flavia Artizzu ◽  
Elisa Sessini ◽  
Luciano Marchiò ◽  
Danilo Loche ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Dft Calculations ◽  
Crystal Structures ◽  
General Formula ◽  
Halogen Bonding ◽  
Building Blocks ◽  
New Family ◽  
Molecular Building Blocks

Here we report on new tris(haloanilato)metallate(iii) complexes with general formula [M(X2An)3]3−, their crystal structures, DFT calculations and magnetic properties.

scholarly journals PrimaVera: Synergising Predictive Maintenance

2020 ◽  
Vol 10 (23) ◽  
pp. 8348
Author(s):  
Bram Ton ◽  
Rob Basten ◽  
John Bolte ◽  
Jan Braaksma ◽  
Alessandro Di Bucchianico ◽  
...  
Keyword(s):  
Asset Management ◽  
Process Model ◽  
Building Blocks ◽  
Predictive Maintenance ◽  
Full Potential ◽  
Support Tools ◽  
Maintenance Cycle ◽  
Optimal Maintenance ◽  
Organisational Factors ◽  
Maintenance Process

The full potential of predictive maintenance has not yet been utilised. Current solutions focus on individual steps of the predictive maintenance cycle and only work for very specific settings. The overarching challenge of predictive maintenance is to leverage these individual building blocks to obtain a framework that supports optimal maintenance and asset management. The PrimaVera project has identified four obstacles to tackle in order to utilise predictive maintenance at its full potential: lack of orchestration and automation of the predictive maintenance workflow, inaccurate or incomplete data and the role of human and organisational factors in data-driven decision support tools. Furthermore, an intuitive generic applicable predictive maintenance process model is presented in this paper to provide a structured way of deploying predictive maintenance solutions.

Voltage Differencing Gain Amplifier-Based nth-Order Low-Pass Voltage-Mode Filter

2018 ◽  
Vol 27 (06) ◽  
pp. 1850089 ◽  
Author(s):  
Zehra Gulru Cam Taskiran ◽  
Herman Sedef ◽  
Fuat Anday
Keyword(s):  
General Formula ◽  
Building Block ◽  
Transfer Functions ◽  
Building Blocks ◽  
Voltage Mode ◽  
Active Elements ◽  
Filter Structure ◽  
Low Pass ◽  
Minimum Number ◽  
Simple Filter

In this paper, a new active-C filter realizing the general [Formula: see text]th-order low-pass voltage transfer functions using [Formula: see text] voltage differencing gain amplifiers (VDGAs) is presented. In this realization minimum number of equal-valued grounded capacitors and [Formula: see text] active elements are used. Due to the adjustability of the transconductance of the VDGA with current, different gains can be realized using the same building block and a simple filter structure can be created. The filter which is composed of VDGA building blocks is suitable for integration and advantageous in terms of eliminating parasitic effects because all capacitors are grounded and the filter structure has no resistors. All simulations are performed on SPICE and the accuracy of this method is validated experimentally with commercially available products upon on-board circuit.

scholarly journals Securing executive buy-in for preventative risk management – lessons from water safety plans

2011 ◽  
Vol 11 (6) ◽  
pp. 682-691 ◽  
Author(s):  
C. Summerill ◽  
S. J. T. Pollard ◽  
J. A. Smith ◽  
B. Breach ◽  
T. Williams
Keyword(s):  
Risk Management ◽  
Building Blocks ◽  
Organisational Culture ◽  
Near Miss ◽  
Water Utilities ◽  
Full Potential ◽  
Investment Planning ◽  
Water Safety ◽  
Stakeholder Relationships ◽  
Water Safety Plans

Appropriate implementation of water safety plans (WSPs) offers an important opportunity to engage in and promote preventative risk management within water utilities. To ensure success, the whole organization, especially executive management, need to be advocates. Illustrated by four case studies, we discuss the influence of organisational culture on buy-in and commitment to WSPs. Despite an internal desire to undertake risk management, aspects of organisational culture prevented these from reaching full potential. Enabling cultural features included: enthusiastic management; past incidents; accountability; insufficient regulations; image; learning and continual improvement cultures; stakeholder relationships; and empowerment of staff. Blocking features included: lack of awareness and recognition; complacency; poor internal relationships; competing priorities; lack of resources and skills; contrasting internal cultures and a lack of near miss reporting. Benefits of WSP implementation and how management are committed are also discussed. We offer some suggestions to those wishing to generate executive buy-in such as: understanding reasons for hesitance; demonstrate benefits; avoiding complacency; highlight building blocks of WSPs and recognising the value of using the WSP approach to inform sound investment planning. We urge water utilities to consider the influence of organisational culture on the success and sustainability of WSP adoption, and to better understand how effective leadership can mould culture to support implementation.

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