scholarly journals Computational Explorations and Interpretation of Bonding in Metallopharmaceutical for a Thorough Understanding at the Quantum Level

2021 ◽  
pp. 29-31
Author(s):  
Rajiv Kumar
Keyword(s):  
Chemical Engineering ◽  
Quantum Level ◽  
Modeling And Analysis ◽  
Novel Drugs ◽  
Essential Components ◽  
Different Types ◽  
Microbial Infections ◽  
Engineering Models ◽  
Metal Organic ◽  
Medicinal Properties

Metallopharmaceuticals are effective remedies and used to treat microbial infections. Generally, these drugs were derived from metal-organic frameworks and highly effective to cure many different types of microbial toxicities. In these metallopharmaceuticals, the moieties of the ligands governed novel medicinal properties. Computational explorations (simulations, modeling, and analysis) are the modern tools that explore the possibilities to design novel drugs, analyse the key and essential components required as per the theme of sustainable chemical engineering. To get information at the quantum level, there is an urgent need to explore the associated dynamics that existed in metallopharmaceuticals. These aforementioned strategies will assist to have sustainable chemical engineering models.

Nanoparticles Functionalized with Venom-Derived Peptides and Toxins for Pharmaceutical Applications

2020 ◽  
Vol 21 (2) ◽  
pp. 97-109 ◽  
Author(s):  
Ana P. dos Santos ◽  
Tamara G. de Araújo ◽  
Gandhi Rádis-Baptista
Keyword(s):  
Oral Absorption ◽  
Current Data ◽  
Pharmacological Activities ◽  
Venom Peptides ◽  
Essential Components ◽  
Wide Range ◽  
Different Types ◽  
Direct Use ◽  
Animal Venoms ◽  
Pharmaceutical Biotechnology

Venom-derived peptides display diverse biological and pharmacological activities, making them useful in drug discovery platforms and for a wide range of applications in medicine and pharmaceutical biotechnology. Due to their target specificities, venom peptides have the potential to be developed into biopharmaceuticals to treat various health conditions such as diabetes mellitus, hypertension, and chronic pain. Despite the high potential for drug development, several limitations preclude the direct use of peptides as therapeutics and hamper the process of converting venom peptides into pharmaceuticals. These limitations include, for instance, chemical instability, poor oral absorption, short halflife, and off-target cytotoxicity. One strategy to overcome these disadvantages relies on the formulation of bioactive peptides with nanocarriers. A range of biocompatible materials are now available that can serve as nanocarriers and can improve the bioavailability of therapeutic and venom-derived peptides for clinical and diagnostic application. Examples of isolated venom peptides and crude animal venoms that have been encapsulated and formulated with different types of nanomaterials with promising results are increasingly reported. Based on the current data, a wealth of information can be collected regarding the utilization of nanocarriers to encapsulate venom peptides and render them bioavailable for pharmaceutical use. Overall, nanomaterials arise as essential components in the preparation of biopharmaceuticals that are based on biological and pharmacological active venom-derived peptides.

scholarly journals Traditional uses, phytochemistry, pharmacology and toxicity of Arisaema (Areaceae): a review

2021 ◽  
Vol 45 (1) ◽  
Author(s):  
Heena Ali ◽  
Ubaid Yaqoob
Keyword(s):  
Skin Irritation ◽  
Clinical Applications ◽  
Human Populations ◽  
Main Body ◽  
Anticancer Activities ◽  
Medicinal Uses ◽  
The World ◽  
Different Types ◽  
Tropical Areas ◽  
Medicinal Properties

Abstract Background The genus Arisaema (Areaceae), popularly known as cobra lilies and jack in pulpit is mainly found in temperate to tropical areas of all continents except South America, Europe and Australia and contain about more than 250 species. Arisaema genus is being used by the different folks of human populations for medicinal as well as food purposes. Arisaema plants are used for the treatment of different types of diseases. There have been several attempts to highlight different aspects of genus Arisaema by describing it in terms of phytochemistry and medicinal uses. The present study is, however, an attempt to put together all the former data available related to the phytochemistry and medicinal uses of genus Arisaema. Main body The phytochemicals of the plant include alkaloids, phenols, terpenes, flavonoids, lectins, saponins, glycosides, triterpenoids, stigmasterols, n-alkanes, n-alkanols sitosterols, campesterol, oxalates, coumarins, tannins etc. Moreover, the properties such as antioxidant, antifungal, antibacterial, insecticidal, antimicrobial, cytotoxic, nematocidal, antiallergic antitumour and anticancer activities are also shown by the plants belonging to genus Arisaema. Arisaema plants have been traditionally used to treat various ailments such as resolving phlegm, dampness, and to treat asthma, bronchitis, cold, cough, and laryngitis etc. It has been found that there are several species which are toxic by nature. The development of clinical applications of arisaematis rhizomes had been seriously constrained due to its toxic properties like, mouth and lingua pain, even respiration slowing and suffocation, mucous membrane and skin irritation etc. and this toxicity of arisaematis rhizomes is due to raphide components. Conclusions The collection of data available on the phytochemistry of genus Arisaema is not sufficient as further work is required to do on phytochemical and medicinal basis. The data available on phytochemistry and medicinal properties of the plants belonging to genus Arisaema throws light on various species of Arisaema which are medicinally important and have been exploited to treat different types of diseases in the world.

scholarly journals Updating the NLRC4 Inflammasome: from Bacterial Infections to Autoimmunity and Cancer

2021 ◽  
Vol 12 ◽  
Author(s):  
Jiexia Wen ◽  
Bin Xuan ◽  
Yang Liu ◽  
Liwei Wang ◽  
Li He ◽  
...  
Keyword(s):  
Bacterial Infections ◽  
Molecular Mechanisms ◽  
Protein Complexes ◽  
Immune Defense ◽  
Innate Immune ◽  
Sensor Protein ◽  
Different Types ◽  
Microbial Infections ◽  
Activation Mechanisms ◽  
Specific Protease

Inflammasomes comprise a family of cytosolic multi-protein complexes that modulate the activation of cysteine-aspartate-specific protease 1 (caspase-1) and promote the maturation and secretion of interleukin (IL)-1β and IL-18, leading to an inflammatory response. Different types of inflammasomes are defined by their sensor protein which recognizes pathogenic ligands and then directs inflammasome assembly. Although the specific molecular mechanisms underlying the activation of most inflammasomes are still unclear, NLRC4 inflammasomes have emerged as multifaceted agents of the innate immune response, playing important roles in immune defense against a variety of pathogens. Other studies have also expanded the scope of NLRC4 inflammasomes to include a range of inherited human autoimmune diseases as well as proposed roles in cancer. In this review article, we provide an updated overview of NLRC4 inflammasomes, describing their composition, activation mechanisms and roles in both microbial infections and other disease conditions.

An Approach for the Dynamics of Robotic Manipulators With Structural Flexibility of Links and Joints

1997 ◽  
Author(s):  
J. Kövecses ◽  
R. G. Fenton ◽  
W. L. Cleghorn
Keyword(s):  
Equations Of Motion ◽  
Robotic Manipulators ◽  
Structural Flexibility ◽  
Flexible Link ◽  
Dynamic Effects ◽  
Flexible Joint ◽  
Modeling And Analysis ◽  
Discrete Parameter ◽  
Rigid Link ◽  
Different Types

Abstract In this paper, an approach is presented for the dynamic modeling and analysis of robotic manipulators having structural flexibility in the links and joints. The formulation allows the user to include different types of flexibilities, as required. This approach includes the dynamic effects of joint driving systems by considering the mass and moments of inertia of their elements, the rotor-link interactions, and the gear reduction ratios; all of which can have significant influences on the behavior of the manipulator. Both distributed-discrete and discretized-discrete parameter models of a robot can be analysed. In the discretized-discrete case, dynamic equations of motion are developed for four model types: rigid link - rigid joint, rigid link - flexible joint, flexible link - rigid joint, and flexible link - flexible joint. An example of a two-link manipulator is considered. Simulation results are presented for different models (flexible joint - rigid link, rigid joint - flexible link, flexible joint - flexible link) of the manipulator. The computations show the influence of joint and link flexibilities on the manipulator performance.

scholarly journals Recent Advances in Affinity MOF-Based Sorbents with Sample Preparation Purposes

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4216
Author(s):  
Héctor Martínez Pérez-Cejuela ◽  
José Manuel Herrero-Martínez ◽  
Ernesto F. Simó-Alfonso
Keyword(s):  
Amino Acids ◽  
Sample Preparation ◽  
Metal Organic Frameworks ◽  
Selective Extraction ◽  
Real Samples ◽  
Recent Advances ◽  
Different Types ◽  
Metal Organic

This review summarizes the recent advances concerning metal–organic frameworks (MOFs) modified with several biomolecules (e.g., amino acids, nucleobases, proteins, antibodies, aptamers, etc.) as ligands to prepare affinity-based sorbents for application in the sample preparation field. The preparation and incorporation strategies of these MOF-based affinity materials were described. Additionally, the different types of ligands that can be employed for the synthesis of these biocomposites and their application as sorbents for the selective extraction of molecules and clean-up of complex real samples is reported. The most important features of the developed biocomposites will be discussed throughout the text in different sections, and several examples will be also commented on in detail.

scholarly journals H2S and Siloxane D5 Removal from Anaerobic Digestion Gas by Adsorption

2017 ◽  
Vol 29 (1) ◽  
pp. 40-43
Author(s):  
Juha Lehtonen ◽  
Jukka Koskinen ◽  
Naima Sultana ◽  
Noora Kaisalo ◽  
Pia Anttila
Keyword(s):  
Anaerobic Digestion ◽  
Chemical Engineering ◽  
Fossil Fuel ◽  
Fixed Bed ◽  
Solid Oxide ◽  
Fixed Bed Reactor ◽  
Oxide Fuel ◽  
Adsorption Capacities ◽  
Zeolite 5A ◽  
Different Types

Global warming and depletion of fossil fuel enhances people to obtain alternative clean sources of energy. The key objective of this study was to develop adsorbent systems for sulphur (from H2S) and siloxanes removal from the anaerobic digestion gas (ADG) by commercially available adsorbents for a solid oxide fuel cell (SOFC) application. The target limits for removal of sulphur and siloxane compounds were less than 1 ppmv and 100ppbv respectively for the SOFC application. Based on the results of this work (this work is a part of a European Union project named SOFcom) and some other projects of SOFcom, a pilot plant of SOFC (capacity 100 kW fuel energy) will attempt to operate using the ADG produced from the Torino Sewage Plant, Italy. Different types of siloxanes were available in the ADG, among them D5 was chosen as representative for their higher concentrations (1200ppbv) in Torino, Italy. However, all types of siloxanes are also possible to remove from ADG by the same adsorbent. Commercially available adsorbents such as Activated Carbon (sigma), Zeolite 5A, FCDS GS-1(ZnO) and FCDS GS6, Active carbon (Norit RST3) and Soxsia were explored in the fixed bed reactor in laboratory. Artificially simulated ADG was tested in the laboratory (for simplicity) to determine the adsorption capacities of adsorbents. FCDS GS-1 (48 mg/g) and Norit RST3 (55.7 mg/g) were performed as best adsorbents for sulphur and siloxane D5 removal respectively.Journal of Chemical Engineering, Vol. 29, No. 1, 2017: 40-43

Cluster analyses of metal-organic fragments using the dSNAP software

2009 ◽  
Vol 65 (6) ◽  
pp. 707-714
Author(s):  
Anna Collins ◽  
Chick C. Wilson ◽  
Christopher J. Gilmore
Keyword(s):  
Metal Complex ◽  
Computer Program ◽  
Cambridge Structural Database ◽  
Clustering Method ◽  
Cluster Analyses ◽  
Organic Systems ◽  
Different Types ◽  
Metal Organic ◽  
Structural Database

The dSNAP computer program has been used to classify searches of the Cambridge Structural Database for two ligands: —O—CH2—CH2—O— and N(CH2CH2O—)3 commonly found in metal-organic systems. The clustering method used is based on total geometries (i.e. all the lengths and angles involving all the atoms in the search fragment, whether bonded or not) and proved capable of distinguishing in a wholly automatic, objective way between different types of metal complex purely on the basis of the geometry of the ligand and the relative positions of the O atoms to the metals.

scholarly journals Analysis of Expansion Joint - A Case Study

2021 ◽  
Vol 9 (10) ◽  
pp. 45-51
Author(s):  
Prof. P R Subramaniam
Keyword(s):  
Variable Pressure ◽  
Pressure Loading ◽  
Ansys Software ◽  
Element Analysis ◽  
Modeling And Analysis ◽  
Pressure Load ◽  
Different Types ◽  
Comprehensive Modeling ◽  
Metallic Bellow

Abstract: Automotive, Aerospace, Pipeline industries widely use Bellows. Different types of bellows are used in these industries. The bellows are used for contraction or expansion applications. Repeated variable pressure loading and displacement on Metallic bellows joints results in bellows failure. This paper is a comprehensive modeling and analysis of an axial type exhaust metallic bellow due to varying pressure load and circumferential and radial displacement. All analysis completed using ANSYS software considering variable pressure load and cylindrical displacement as a boundary condition and perused the consequences. Stress distribution in the conditions of Case (i) variable pressure load and Case (ii) displacement are obtained. Keywords: ANSYS, FE Bellows, Finite Element Analysis, Bellow Failures

scholarly journals Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target

2019 ◽  
Vol 75 (9) ◽  
pp. 586-592
Author(s):  
Sonja Schüssler ◽  
Ilka Haase ◽  
Markus Perbandt ◽  
Boris Illarionov ◽  
Alexandra Siemens ◽  
...  
Keyword(s):  
Listeria Monocytogenes ◽  
Active Sites ◽  
Putative Open Reading Frame ◽  
Molecular Replacement ◽  
Gtp Cyclohydrolase I ◽  
Gtp Cyclohydrolase ◽  
Reading Frame ◽  
Novel Drugs ◽  
Microbial Infections ◽  
Micromolar Range

A putative open reading frame encoding GTP cyclohydrolase I from Listeria monocytogenes was expressed in a recombinant Escherichia coli strain. The recombinant protein was purified and was confirmed to convert GTP to dihydroneopterin triphosphate (K m = 53 µM; v max = 180 nmol mg−1 min−1). The protein was crystallized from 1.3 M sodium citrate pH 7.3 and the crystal structure was solved at a resolution of 2.4 Å (R free = 0.226) by molecular replacement using human GTP cyclohydrolase I as a template. The protein is a D 5-symmetric decamer with ten topologically equivalent active sites. Screening a small library of about 9000 compounds afforded several inhibitors with IC50 values in the low-micromolar range. Several inhibitors had significant selectivity with regard to human GTP cyclohydrolase I. Hence, GTP cyclohydrolase I may be a potential target for novel drugs directed at microbial infections, including listeriosis, a rare disease with high mortality.

scholarly journals Disappeared supramolecular isomer reappears with perylene guest

IUCrJ ◽  
2020 ◽  
Vol 7 (2) ◽  
pp. 324-330
Author(s):  
In-Hyeok Park ◽  
Atanu Dey ◽  
Kenta Sasaki ◽  
Masaaki Ohba ◽  
Shim Sung Lee ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Guest Molecule ◽  
Metal Organic Frameworks ◽  
Guest Molecules ◽  
Supramolecular Isomerism ◽  
The World ◽  
Different Types ◽  
Metal Organic ◽  
The Disappeared ◽  
Kinetic Form

Among different types of polymorphism, disappearing polymorphism deals with the metastable kinetic form which can not be reproduced after its first isolation. In the world of coordination polymers (CPs) and metal–organic frameworks (MOFs), despite the fact that many types of supramolecular isomerism exist, we are unaware of disappearing supramolecular isomerism akin to disappearing polymorphism. This work reports a MOF with dia topology that could not be reproduced, but subsequent synthesis yielded another supramolecular isomer, a double-pillared-layer MOF. When perylene was added in the same reaction, the disappeared dia MOF reappeared with perylene as a guest in the channels. Interestingly, the photoluminescence of the dia MOF with a perylene guest is dominated by the emission of the guest molecule. The influence of guest molecules on the stabilization of the supramolecular isomers of a MOF opens up a strategy to access MOFs with different structures.

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