Search results for: cyclic peptide
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 851

Search results for: cyclic peptide

851 Synthesis and Characterization of Cyclic PNC-28 Peptide, Residues 17–26 (ETFSDLWKLL), A Binding Domain of p53

Authors: Deepshikha Verma, V. N. Rajasekharan Pillai

Abstract:

The present study reports the synthesis of cyclic PNC-28 peptides with solid-phase peptide synthesis method. In the first step, we synthesize the linear PNC-28 Peptide and in the second step, we cyclize (N-to-C or head-to-tail cyclization) the linear PNC-28 peptide. The molecular formula of cyclic PNC-28 peptide is C64H88N12O16 and its m/z mass is ≈1233.64. Elemental analysis of cyclic PNC-28 is C, 59.99; H, 6.92; N, 13.12; O, 19.98. The characterization of LC-MS, CD, FT-IR, and 1HNMR has been done to confirm the successful synthesis and cyclization of linear PNC-28 peptides.

Keywords: CD, FTIR, 1HNMR, cyclic peptide

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850 Peptide Aptasensor for Electrochemical Detection of Rheumatoid Arthritis

Authors: Shah Abbas

Abstract:

Rheumatoid arthritis is a systemic, inflammatory autoimmune disease, affecting an overall 1% of the global population. Despite being tremendous efforts by scientists, early diagnosis of RA still has not been achieved. In the current study, a Graphene oxide (GO) based electrochemical sensor has been developed for early diagnosis of RA through Cyclic voltammetry. Chitosan (CHI), a CPnatural polymer has also been incorporated along with GO in order to enhance the biocompatibility and functionalization potential of the biosensor. CCPs are known antigens for Anti Citrullinated Peptide Antibodies (ACPAs) which can be detected in serum even 14 years before the appearance of symptoms, thus they are believed to be an ideal target for the early diagnosis of RA. This study has yielded some promising results regarding the binding and detection of ACPAs through changes in the electrochemical properties of biosensing material. The cyclic voltammogram of this biosensor reflects the binding of ACPAs to the biosensor surface, due to its shifts observed in the current flow (cathodic current) as compared to the when no ACPAs bind as it is absent in RA negative patients.

Keywords: rheumatoid arthritis, peptide sensor, graphene oxide, anti citrullinated peptide antibodies, cyclic voltammetry

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849 Total Synthesis of Natural Cyclic Depsi Peptides by Convergent SPPS and Macrolactonization Strategy for Anti-Tb Activity

Authors: Katharigatta N. Venugopala, Fernando Albericio, Bander E. Al-Dhubiab, T. Govender

Abstract:

Recent years have witnessed a renaissance in the field of peptides that are obtained from various natural sources such as many bacteria, fungi, plants, seaweeds, vertebrates, invertebrates and have been reported for various pharmacological properties such as anti-TB, anticancer, antimalarial, anti-inflammatory, anti-HIV, antibacterial, antifungal, and antidiabetic, activities. In view of the pharmacological significance of natural peptides, serious research efforts of many scientific groups and pharmaceutical companies have consequently focused on them to explore the possibility of developing their potential analogues as therapeutic agents. Solid phase and solution phase peptide synthesis are the two methodologies currently available for the synthesis of natural or synthetic linear or cyclic depsi-peptides. From a synthetic point of view, there is no doubt that the solid-phase methodology gained added advantages over solution phase methodology in terms of simplicity, purity of the compound and the speed with which peptides can be synthesised. In the present study total synthesis, purification and structural elucidation of analogues of natural anti-TB cyclic depsi-peptides such as depsidomycin, massetolides and viscosin has been attempted by solid phase method using standard Fmoc protocols and finally off resin cyclization in solution phase method. In case of depsidomycin, synthesis of linear peptide on solid phase could not be achieved because of two turn inducing amino acids in the peptide sequence, but total synthesis was achieved by convergent solid phase peptide synthesis followed by cyclization in solution phase method. The title compounds obtained were in good yields and characterized by NMR and HRMS. Anti-TB results revealed that the potential title compound exhibited promising activity at 4 µg/mL against H37Rv and 16 µg/mL against MDR strains of tuberculosis.

Keywords: total synthesis, cyclic depsi-peptides, anti-TB activity, tuberculosis

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848 Comparative Study of Isothermal and Cyclic Oxidation on Titanium Alloys

Authors: Poonam Yadav, Dong Bok Lee

Abstract:

Isothermal oxidation at 800°C for 50h and Cyclic oxidation at 600°C and 800°C for 40h of Pure Ti and Ti64 were performed in a muffle furnace. In Cyclic oxidation, massive scale spallation occurred, and the oxide scale cracks and peels off were observed at high temperature, it represents oxide scale that formed during cyclic oxidation was spalled out owing to stresses due to thermal shock generated during repetitive oxidation and subsequent cooling. The thickness of scale is larger in cyclic oxidation than the isothermal case. This is due to inward diffusion of oxygen through oxide scales and/or pores and cracks in cyclic oxidation.

Keywords: cyclic, diffusion, isothermal, cyclic

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847 Skew Cyclic Codes over Fq+uFq+…+uk-1Fq

Authors: Jing Li, Xiuli Li

Abstract:

This paper studies a special class of linear codes, called skew cyclic codes, over the ring R= Fq+uFq+…+uk-1Fq, where q is a prime power. A Gray map ɸ from R to Fq and a Gray map ɸ' from Rn to Fnq are defined, as well as an automorphism Θ over R. It is proved that the images of skew cyclic codes over R under map ɸ' and Θ are cyclic codes over Fq, and they still keep the dual relation.

Keywords: skew cyclic code, gray map, automorphism, cyclic code

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846 A Characterization of Skew Cyclic Code with Complementary Dual

Authors: Eusebio Jr. Lina, Ederlina Nocon

Abstract:

Cyclic codes are a fundamental subclass of linear codes that enjoy a very interesting algebraic structure. The class of skew cyclic codes (or θ-cyclic codes) is a generalization of the notion of cyclic codes. This a very large class of linear codes which can be used to systematically search for codes with good properties. A linear code with complementary dual (LCD code) is a linear code C satisfying C ∩ C^⊥ = {0}. This subclass of linear codes provides an optimum linear coding solution for a two-user binary adder channel and plays an important role in countermeasures to passive and active side-channel analyses on embedded cryptosystems. This paper aims to identify LCD codes from the class of skew cyclic codes. Let F_q be a finite field of order q, and θ be an automorphism of F_q. Some conditions for a skew cyclic code to be LCD were given. To this end, the properties of a noncommutative skew polynomial ring F_q[x, θ] of automorphism type were revisited, and the algebraic structure of skew cyclic code using its skew polynomial representation was examined. Using the result that skew cyclic codes are left ideals of the ring F_q[x, θ]/〈x^n-1〉, a characterization of a skew cyclic LCD code of length n was derived. A necessary condition for a skew cyclic code to be LCD was also given.

Keywords: LCD cyclic codes, skew cyclic LCD codes, skew cyclic complementary dual codes, theta-cyclic codes with complementary duals

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845 Bulk Amounts of Linear and Cyclic Polypeptides on Our Hand within a Short Time

Authors: Yu Zhang, Il Kim

Abstract:

Polypeptides with defined peptide sequences illustrate the power of remarkable applications in drug delivery, tissue engineering, sensing and catalysis. Especially the cyclic polypeptides, the distinctive topological architecture imparts many characteristic properties comparing to linear polypeptides. Here, a facile and highly efficient strategy for the synthesis of linear and cyclic polypeptides is reported using N-heterocyclic carbenes (NHCs)-mediated ring-opening polymerization (ROP) of α-amino acid N-carboxyanhydrides (NCA) in the presence or absence of primary amine initiator. The polymerization proceeds rapidly in a quasi-living manner, allowing access to linear and cyclic polypeptides of well-defined chain length and narrow polydispersity, as evidenced by nuclear magnetic resonance spectrum (1H NMR and 13C NMR spectra) and size exclusion chromatography (SEC) analysis. The cyclic architecture of the polypeptides was further verified by matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectra (MALDI-TOF MS) and electrospray ionization (ESI) mass spectra, as well as viscosity studies. This approach can also simplify workup procedures and make bulk scale synthesis possible, which thereby opens avenues for practical uses in diverse areas, opening up the new generation of polypeptide synthesis.

Keywords: α-amino acid N-carboxyanhydrides, living polymerization, polypeptides, N-heterocyclic carbenes, ring-opening polymerization

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844 Construction of a Fusion Gene Carrying E10A and K5 with 2A Peptide-Linked by Using Overlap Extension PCR

Authors: Tiancheng Lan

Abstract:

E10A is a kind of replication-defective adenovirus which carries the human endostatin gene to inhibit the growth of tumors. Kringle 5(K5) has almost the same function as angiostatin to also inhibit the growth of tumors since they are all the byproduct of the proteolytic cleavage of plasminogen. Tumor size increasing can be suppressed because both of the endostatin and K5 can restrain the angiogenesis process. Therefore, in order to improve the treatment effect on tumor, 2A peptide is used to construct a fusion gene carrying both E10A and K5. Using 2A peptide is an ideal strategy when a fusion gene is expressed because it can avoid many problems during the expression of more than one kind of protein. The overlap extension PCR is also used to connect 2A peptide with E10A and K5. The final construction of fusion gene E10A-2A-K5 can provide a possible new method of the anti-angiogenesis treatment with a better expression performance.

Keywords: E10A, Kringle 5, 2A peptide, overlap extension PCR

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843 Development and Characterization of Site Specific Peptide Conjugated Polymeric Nanoparticles for Efficient Delivery of Paclitaxel

Authors: Madhu Gupta, Vikas Sharma, Suresh P. Vyas

Abstract:

CD13 receptors are abundantly overexpressed in tumor cells as well as in neovasculature. The CD13 receptors were selected as a targeted site and polymeric nanoparticles (NPs) as a targeted delivery system. By combining these, a cyclic NGR (cNGR) peptide ligand was coupled on the terminal end of polyethylene glycol-b-poly(lactic-co-glycolic acid) (PEG-b-PLGA) and prepared the dual targeted-NPs (cNGR-PEG-PTX-NPs) to enhance the intracellular delivery of anticancer drug to tumor cells and tumor endothelial cells via ligand-receptor interaction. In-vitro cytotoxicity studies confirmed that the presence of cNGR enhanced the cytotoxic efficiency by 2.8 folds in Human Umbilical Vein Endothelial (HUVEC) cells, while cytotoxicity was improved by 2.6 folds in human fibrosarcoma (HT-1080) cells as compared to non-specific stealth NPs. Compared with other tested NPs, cNGR-PEG-PTX-NPs revealed more cytotoxicity by inducing more apoptosis and higher intracellular uptake. The tumor volume inhibition rate was 59.7% in case of cNGR-PEG-PTX-NPs that was comparatively more with other formulations, indicating that cNGR-PEG-PTX-NPs could more effectively inhibit tumor growth. As a consequence, the cNGR-PEG-PTX-NPs play a key role in enhancing tumor therapeutic efficiency for treatment of CD13 receptor specific solid tumor.

Keywords: cyclic NGR, CD13 receptor, targeted polymeric NPs, solid tumor, intracellular delivery

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842 3D Linear and Cyclic Homo-Peptide Crystals Forged by Supramolecular Swelling Self-Assembly

Authors: Wenliang Song, Yu Zhang, Hua Jin, Il Kim

Abstract:

The self-assembly of the polypeptide (PP) into well-defined structures at different length scales is both biomimetic relevant and fundamentally interesting. Although there are various reports of nanostructures fabricated by the self-assembly of various PPs, directed self-assembly of PP into three-dimensional (3D) hierarchical structure has proven to be difficult, despite their importance for biological applications. Herein, an efficient method has been developed through living polymerization of phenylalanine N-Carboxy anhydride (NCA) towards the linear and cyclic polyphenylalanine, and the new invented swelling methodology can form diverse hierarchical polypeptide crystals. The solvent-dependent self-assembly behaviors of these homopolymers were characterized by high-resolution imaging tools such as atomic force microscopy, transmission electron microscopy, scanning electron microscope. The linear and cyclic polypeptide formed 3D nano hierarchical shapes, such as a sphere, cubic, stratiform and hexagonal star in different solvents. Notably, a crystalline packing model was proposed to explain the formation of 3D nanostructures based on the various diffraction patterns, looking forward to give an insight for their dissimilar shape inflection during the self-assembly process.

Keywords: self-assembly, polypeptide, bio-polymer, crystalline polymer

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841 Behaviour of Rc Column under Biaxial Cyclic Loading-State of the Art

Authors: L. Pavithra, R. Sharmila, Shivani Sridhar

Abstract:

Columns severe structural damage needs proportioning a significant portion of earthquake energy can be dissipated yielding in the beams. Presence of axial load along with cyclic loading has a significant influence on column. The objective of this paper is to present the analytical results of columns subjected to biaxial cyclic loading.

Keywords: RC column, Seismic behaviour, cyclic behaviour, biaxial testing, ductile behaviour

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840 Cyclic Liquefaction Resistance of Reinforced Sand

Authors: S. A. Naeini, Z. Eftekhari

Abstract:

Liquefaction phenomenon in sand is nowadays a classical soil mechanics subject. Using a cyclic triaxial test apparatus, we use non-woven geotextile reinforcement to improve the liquefaction resistance of sand. The layer configurations used are zero, one, two and three horizontal reinforcing layers in a triaxial test sample. The influences of the number of geotextile layers, and cyclic stress ratio (CSR) were studied and described. The results illustrated that the geotextile inclusion increases liquefaction resistance.

Keywords: liquefaction resistance, geotextile, sand, cyclic triaxial test, cyclic stress ratio

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839 Comparison of Two Different Methods for Peptide Synthesis

Authors: Klaudia Chmielewska, Krystyna Dzierzbicka, Iwona Inkielewicz-Stepniak

Abstract:

Carnosine, an endogenous peptide consisting of β-alanine and L-histidine has a variety of functions to mention: antioxidant, antiglycation, and reducing the toxicity of metal ions. It has therefore been proposed to act as a therapeutic agent for many pathological states, although its therapeutic index is limited by quick enzymatic cleavage. To overcome this limitation, there’s an urge to create new derivatives which might become less potent to hydrolysis, while preserving the therapeutic effect. The poster summarizes the efficiency of two peptide synthesis methods, which were: (1) the mixed anhydride with isobutyl chloroformate and N-methylmorpholine (NMM) and (2) carbodiimide - mediated coupling method via appropriate reagent condensing, here – CDI. The methods were used to obtain dipeptides which were the derivatives of carnosine. Obtained dipeptides were made in the form of methyl esters and their structures will be confirmed 1H NMR, 13C NMR, MS and elemental analysis techniques. Later on, they will be analyzed for their antioxidant properties, in comparison to carnosine.

Keywords: carnosine, method, peptide, synthesis

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838 A Novel Peptide Showing Universal Effect against Multiple Viruses in Vitro and in Vivo

Authors: Hanjun Zhao, Ke Zhang, Bojian Zheng

Abstract:

Background: So far, there is no universal antiviral agent which can inhibit multiple viral infections. More and more drug-resistant viral strains emerge after the antiviral drug application for treatment. Defensins are the front line of host innate immunity and have broad spectrum antibacterial and antiviral effects. However, there is limited data to show if these defensins have good antiviral activity in vivo and what the antiviral mechanism is. Subjects: To investigate a peptide with widespread antivirus activity in vitro and in vivo and illustrate the antiviral mechanism. Methods: Antiviral peptide library designed from mouse beta defensins was synthesized by the company. Recombinant beta defensin was obtained from E. coli. Antiviral activity in vitro was assayed by plaque assay, qPCR. Antiviral activity in vivo was detected by animal challenge with 2009 pandemic H1N1 influenza A virus. The antiviral mechanism was assayed by western blot, ELISA, and qPCR. Conclusions: We identify a new peptide which has widespread effects against multiple viruses (H1N1, H5N1, H7N9, MERS-CoV) in vitro and has efficient antivirus activity in vivo. This peptide inhibits viral entry into target cells and subsequently blocks viral replication. The in vivo study of the antiviral peptide against other viral infections and the investigation of its more detail antiviral mechanism are ongoing.

Keywords: antiviral peptide, defensin, Influenza A virus, mechanism

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837 Stimulation of NCAM1-14.3.3.ζδ-derived Peptide Interaction Fuels Angiogenesis and Osteogenesis in Ageing

Authors: Taha Kadir Yesin, Hanyu Liu, Zhangfan Ding, Amit Singh, Qi Tian, Yuheng Zhang, Biswajyoti Borah, Junyu Chen, Anjali P. Kusumbe

Abstract:

The skeletal structure and bone marrow endothelium collectively form a critical functional unit essential for bone development, health, and aging. At the core of osteogenesis and bone formation lies the dynamic process of angiogenesis. In this study, we reveal a potent endogenous anabolic NCAM1-14.3.3. ζδ-derived- Peptide interaction, which stimulates bone angiogenesis and osteogenesis during homeostasis, aging, and age-related bone diseases. Employing high-resolution imaging and inducible cell-specific mouse genetics, our results elucidate the pivotal role of the NCAM1-14.3.3.ζδ-derived-Peptide interaction in driving the expansion of Clec14a+ angiogenic endothelial cells. Notably, Clec14a+ endothelial cells express key osteogenic factors. The NCAM1-14.3.3.ζδ-derived-Peptide interaction in osteoblasts drives osteoblast differentiation, ultimately contributing to the genesis of bone. Moreover, the NCAM1-14.3.3.ζδ-derived-Peptide interaction leads to a reduction in bone resorption. In age-associated vascular and bone loss diseases, stimulating the NCAM1-14.3.3.ζδ-derived-Peptide interaction not only promotes angiogenesis but also reverses bone loss. Consequently, harnessing the endogenous anabolic potential of the NCAM1-14.3.3.ζδ-derived-Peptide interaction emerges as a promising therapeutic modality for managing age-related bone diseases.

Keywords: endothelial cell, NCAM1, Clec14a, 14.3.3.ζδ

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836 Peptide-Gold Nanocluster as an Optical Biosensor for Glycoconjugate Secreted from Leishmania

Authors: Y. A. Prada, Fanny Guzman, Rafael Cabanzo, John J. Castillo, Enrique Mejia-Ospino

Abstract:

In this work, we show the important results about of synthesis of photoluminiscents gold nanoclusters using a small peptide as template for biosensing applications. Interestingly, we design one peptide (NBC2854) homologue to conservative domain from 215 250 residue of a galactolectin protein which can recognize the proteophosphoglycans (PPG) from Leishmania. Peptide was synthetized by multiple solid phase synthesis using FMoc group methodology in acid medium. Finally, the peptide was purified by High-Performance Liquid Chromatography using a Vydac C-18 preparative column and the detection was at 215 nm using a Photo Diode Array detector. Molecular mass of this peptide was confirmed by MALDI-TOF and to verify the α-helix structure we use Circular Dichroism. By means of the methodology used we obtained a novel fluorescents gold nanoclusters (AuNC) using NBC2854 as a template. In this work, we described an easy and fast microsonic method for the synthesis of AuNC with ≈ 3.0 nm of hydrodynamic size and photoemission at 630 nm. The presence of cysteine residue in the C-terminal of the peptide allows the formation of Au-S bond which confers stability to Peptide-based gold nanoclusters. Interactions between the peptide and gold nanoclusters were confirmed by X-ray Photoemission and Raman Spectroscopy. Notably, from the ultrafine spectra shown in the MALDI-TOF analysis which containing only 3-7 KDa species was assigned to Au₈-₁₈[NBC2854]₂ clusters. Finally, we evaluated the Peptide-gold nanocluster as an optical biosensor based on fluorescence spectroscopy and the fluorescence signal of PPG (0.1 µg-mL⁻¹ to 1000 µg-mL⁻¹) was amplified at the same wavelength emission (≈ 630 nm). This can suggest that there is a strong interaction between PPG and Pep@AuNC, therefore, the increase of the fluorescence intensity can be related to the association mechanism that take place when the target molecule is sensing by the Pep@AuNC conjugate. Further spectroscopic studies are necessary to evaluate the fluorescence mechanism involve in the sensing of the PPG by the Pep@AuNC. To our best knowledge the fabrication of an optical biosensor based on Pep@AuNC for sensing biomolecules such as Proteophosphoglycans which are secreted in abundance by parasites Leishmania.

Keywords: biosensing, fluorescence, Leishmania, peptide-gold nanoclusters, proteophosphoglycans

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835 Full-Field Estimation of Cyclic Threshold Shear Strain

Authors: E. E. S. Uy, T. Noda, K. Nakai, J. R. Dungca

Abstract:

Cyclic threshold shear strain is the cyclic shear strain amplitude that serves as the indicator of the development of pore water pressure. The parameter can be obtained by performing either cyclic triaxial test, shaking table test, cyclic simple shear or resonant column. In a cyclic triaxial test, other researchers install measuring devices in close proximity of the soil to measure the parameter. In this study, an attempt was made to estimate the cyclic threshold shear strain parameter using full-field measurement technique. The technique uses a camera to monitor and measure the movement of the soil. For this study, the technique was incorporated in a strain-controlled consolidated undrained cyclic triaxial test. Calibration of the camera was first performed to ensure that the camera can properly measure the deformation under cyclic loading. Its capacity to measure deformation was also investigated using a cylindrical rubber dummy. Two-dimensional image processing was implemented. Lucas and Kanade optical flow algorithm was applied to track the movement of the soil particles. Results from the full-field measurement technique were compared with the results from the linear variable displacement transducer. A range of values was determined from the estimation. This was due to the nonhomogeneous deformation of the soil observed during the cyclic loading. The minimum values were in the order of 10-2% in some areas of the specimen.

Keywords: cyclic loading, cyclic threshold shear strain, full-field measurement, optical flow

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834 Early Diagnosis and Treatment of Cancer Using Synthetic Cationic Peptide

Authors: D. J. Kalita

Abstract:

Cancer is one of the prime causes of early death worldwide. Mutation of the gene involve in DNA repair and damage, like BRCA2 (Breast cancer gene two) genes, can be detected efficiently by PCR-RFLP to early breast cancer diagnosis and adopt the suitable method of treatment. Host Defense Peptide can be used as blueprint for the design and synthesis of novel anticancer drugs to avoid the side effect of conventional chemotherapy and chemo resistance. The change at nucleotide position 392 of a -› c in the cancer sample of dog mammary tumour at BRCA2 (exon 7) gene lead the creation of a new restriction site for SsiI restriction enzyme. This SNP may be a marker for detection of canine mammary tumour. Support vector machine (SVM) algorithm was used to design and predict the anticancer peptide from the mature functional peptide. MTT assay of MCF-7 cell line after 48 hours of post treatment showed an increase in the number of rounded cells when compared with untreated control cells. The ability of the synthesized peptide to induce apoptosis in MCF-7 cells was further investigated by staining the cells with the fluorescent dye Hoechst stain solution, which allows the evaluation of the nuclear morphology. Numerous cells with dense, pyknotic nuclei (the brighter fluorescence) were observed in treated but not in control MCF-7 cells when viewed using an inverted phase-contrast microscope. Thus, PCR-RFLP is one of the attractive approach for early diagnosis, and synthetic cationic peptide can be used for the treatment of canine mammary tumour.

Keywords: cancer, cationic peptide, host defense peptides, Breast cancer genes

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833 Structure-Based Drug Design of Daptomycin, Antimicrobial lipopeptide

Authors: Satya Eswari Jujjavarapu, Swast Dhagat

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Contagious diseases enact severe public health problems and have upsetting consequences. The cyclic lipopeptides explained by bacteria Bacillus, Paenibacillus, Pseudomonas, Streptomyces, Serratia, Propionibacterium and fungus Fusarium are very critical in confining the pathogens. As the degree of drug resistance upsurges in unparalleled manner, the perseverance of searching novel cyclic lipopeptides is being professed. The intense study has shown the implication of these bioactive compounds extending beyond antibacterial and antifungal. Lipopeptides, composed of single units of peptide and fatty acyl moiety, show broad spectrum antimicrobial effects. Among the surplus of cyclic lipopeptides, only few have materialized as strong antibiotics. For their functional vigor, polymyxin, daptomycin, surfactin, iturin and bacillomycin have been integrated in mainstream healthcare. In our work daptomycin has been a major part of antimicrobial resource since the past decade. Daptomycin, a cyclic lipopeptide consists of 13-member amino acid with a decanoyl side-chain. This structure of daptomycin confers it the mechanism of action through which it forms pore in the bacterial cell membrane resulting in the death of cell. Daptomycin is produced by Streptococccus roseoporus and acts against Streptococcus pneumonia (PSRP), methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant enterococci (VRE). The PDB structure and ligands of daptomycin are available online. The molecular docking studies of these ligands with the lipopeptides were performed and their docking score and glide energy were recorded.

Keywords: daptomycin, molecular docking, structure-based drug design, lipopeptide

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832 2D Structured Non-Cyclic Fuzzy Graphs

Authors: T. Pathinathan, M. Peter

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Fuzzy graphs incorporate concepts from graph theory with fuzzy principles. In this paper, we make a study on the properties of fuzzy graphs which are non-cyclic and are of two-dimensional in structure. In particular, this paper presents 2D structure or the structure of double layer for a non-cyclic fuzzy graph whose underlying crisp graph is non-cyclic. In any graph structure, introducing 2D structure may lead to an inherent cycle. We propose relevant conditions for 2D structured non-cyclic fuzzy graphs. These conditions are extended even to fuzzy graphs of the 3D structure. General theoretical properties that are studied for any fuzzy graph are verified to 2D structured or double layered fuzzy graphs. Concepts like Order, Degree, Strong and Size for a fuzzy graph are studied for 2D structured or double layered non-cyclic fuzzy graphs. Using different types of fuzzy graphs, the proposed concepts relating to 2D structured fuzzy graphs are verified.

Keywords: double layered fuzzy graph, double layered non–cyclic fuzzy graph, order, degree and size

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831 Leveraging SHAP Values for Effective Feature Selection in Peptide Identification

Authors: Sharon Li, Zhonghang Xia

Abstract:

Post-database search is an essential phase in peptide identification using tandem mass spectrometry (MS/MS) to refine peptide-spectrum matches (PSMs) produced by database search engines. These engines frequently face difficulty differentiating between correct and incorrect peptide assignments. Despite advances in statistical and machine learning methods aimed at improving the accuracy of peptide identification, challenges remain in selecting critical features for these models. In this study, two machine learning models—a random forest tree and a support vector machine—were applied to three datasets to enhance PSMs. SHAP values were utilized to determine the significance of each feature within the models. The experimental results indicate that the random forest model consistently outperformed the SVM across all datasets. Further analysis of SHAP values revealed that the importance of features varies depending on the dataset, indicating that a feature's role in model predictions can differ significantly. This variability in feature selection can lead to substantial differences in model performance, with false discovery rate (FDR) differences exceeding 50% between different feature combinations. Through SHAP value analysis, the most effective feature combinations were identified, significantly enhancing model performance.

Keywords: peptide identification, SHAP value, feature selection, random forest tree, support vector machine

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830 Kinematic Behavior of Geogrid Reinforcements during Earthquakes

Authors: Ahmed Hosny Abdel-Rahman, Mohamed Abdel-Moneim

Abstract:

Reinforced earth structures are generally subjected to cyclic loading generated from earthquakes. This paper presents a summary of the results and analyses of a testing program carried out in a large-scale multi-function geosynthetic testing apparatus that accommodates soil samples up to 1.0 m3. This apparatus performs different shear and pullout tests under both static and cyclic loading. The testing program was carried out to investigate the controlling factors affecting soil/geogrid interaction under cyclic loading. The extensibility of the geogrids, the applied normal stresses, the characteristics of the cyclic loading (frequency, and amplitude), and initial static load within the geogrid sheet were considered in the testing program. Based on the findings of the testing program, the effect of these parameters on the pullout resistance of geogrids, as well as the displacement mobility under cyclic loading were evaluated. Conclusions and recommendations for the design of reinforced earth walls under cyclic loading are presented.

Keywords: geogrid, soil, interface, cyclic loading, pullout, large scale testing

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829 MICA-TM Peptide Selectively Binds to HLAs Associated with Behçet's Disease

Authors: Sirilak Kongkaew, Pathumwadee Yodmanee, Nopporn Kaiyawet, Arthitaya Meeprasert, Thanyada Rungrotmongkol, Toshikatsu Kaburaki, Hiroshi Noguchi, Fujio Takeuch, Nawee Kungwan, Supot Hannongbua

Abstract:

Behçet’s disease (BD) is a genetic autoimmune expressed by multisystemic inflammatory disorder mostly occurred at the skin, joints, gastrointestinal tract, and genitalia, including ocular, oral, genital, and central nervous systems. Most BD patients in Japan and Korea were strongly indicated by the genetic factor namely HLA-B*51 (especially, HLA-B*51:01) marker in HMC class I, while HLA-A*26:01 allele has been detected from the BD patients in Greek, Japan, and Taiwan. To understand the selective binding of the MICA-TM peptide towards the HLAs associated with BD, the molecular dynamics simulations were applied on the four HLA alleles (B*51:01, B*35:01, A*26:01, and A*11:01) in complex with such peptide. As a result, the key residues in the binding groove of HLA protein which play an important role in the MICA-TM peptide binding and stabilization were revealed. The Van der Waals force was found to be the main protein-protein interaction. Based on the binding free energy prediction by MM/PBSA method, the MICA-TM peptide interacted stronger to the HLA alleles associated to BD in the identical class by 7-12 kcal/mol. The obtained results from the present study could help to differentiate the HLA alleles and explain a source of Behçet’s disease.

Keywords: Behçet’s disease, MD simulations, HMC class I, autoimmune

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828 On the Cyclic Property of Groups of Prime Order

Authors: Ying Yi Wu

Abstract:

The study of finite groups is a central topic in algebraic structures, and one of the most fundamental questions in this field is the classification of finite groups up to isomorphism. In this paper, we investigate the cyclic property of groups of prime order, which is a crucial result in the classification of finite abelian groups. We prove the following statement: If p is a prime, then every group G of order p is cyclic. Our proof utilizes the properties of group actions and the class equation, which provide a powerful tool for studying the structure of finite groups. In particular, we first show that any non-identity element of G generates a cyclic subgroup of G. Then, we establish the existence of an element of order p, which implies that G is generated by a single element. Finally, we demonstrate that any two generators of G are conjugate, which shows that G is a cyclic group. Our result has significant implications in the classification of finite groups, as it implies that any group of prime order is isomorphic to the cyclic group of the same order. Moreover, it provides a useful tool for understanding the structure of more complicated finite groups, as any finite abelian group can be decomposed into a direct product of cyclic groups. Our proof technique can also be extended to other areas of group theory, such as the classification of finite p-groups, where p is a prime. Therefore, our work has implications beyond the specific result we prove and can contribute to further research in algebraic structures.

Keywords: group theory, finite groups, cyclic groups, prime order, classification.

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827 Dual-functional Peptide With Defective Interfering Genes Protecting Mice From Avian and Seasonal Influenza Virus Infection

Authors: Hanjun Zhao

Abstract:

Limited efficacy of current antivirals and antiviral-resistant mutations impair anti-influenza treatment. Here, we evaluated the in vitro and in vivo antiviral effect of three defective interfering genes (DIG-3) of influenza virus. Virus replication was significantly reduced in 293T and A549 cells transfected with DIG-3. Mice transfected with DIG-3 encoded by jetPEI-vector, as prophylaxis and therapeutics against A(H7N7) virus respectively, had significantly better survivals (80% and 50%) than control mice (0%). We further developed a dual-functional peptide TAT-P1, which delivers DIG-3 with high transfection efficiency and concomitantly exerts antiviral activity by preventing endosomal acidification. TAT-P1/DIG-3 was more effective than jetPEI/DIG-3 in treating A(H7N7) or A(H1N1)pdm09-infected mice and showed potent prophylactic protection on A(H7N7) or A(H1N1)pdm09-infected mice. The addition of P1 peptide, preventing endosomal acidification, could enhance the protection of TAT-P1/DIG-3 on A(H1N1)pdm09-infected mice. Dual-functional TAT-P1 with DIG-3 can effectively protect or treat mice infected by avian and seasonal influenza virus infection.

Keywords: antiviral peptide, dual-functional peptide, defective interfering genes, influenza virus

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826 Characterization of Number of Subgroups of Finite Groups

Authors: Khyati Sharma, A. Satyanarayana Reddy

Abstract:

The topic of how many subgroups exist within a certain finite group naturally arises in the study of finite groups. Over the years, different researchers have investigated this issue from a variety of angles. The significant contributions of the key mathematicians over the time have been summarized in this article. To this end, we classify finite groups into three categories viz. (a) Groups for which the number of subgroups is less than |G|, (b) equals to |G|, and finally, (c) greater than |G|. Because every element of a finite group generates a cyclic subgroup, counting cyclic subgroups is the most important task in this endeavor. A brief survey on the number of cyclic subgroups of finite groups is also conducted by us. Furthermore, we also covered certain arithmetic relations between the order of a finite group |G| and the number of its distinct cyclic subgroups |C(G)|. In order to provide pertinent context and possibly reveal new novel areas of potential research within the field of research on finite groups, we finally pose and solicit a few open questions.

Keywords: abstract algebra, cyclic subgroup, finite group, subgroup

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825 Simulation Study of Asphaltene Deposition and Solubility of CO2 in the Brine during Cyclic CO2 Injection Process in Unconventional Tight Reservoirs

Authors: Rashid S. Mohammad, Shicheng Zhang, Sun Lu, Syed Jamal-Ud-Din, Xinzhe Zhao

Abstract:

A compositional reservoir simulation model (CMG-GEM) was used for cyclic CO2 injection process in unconventional tight reservoir. Cyclic CO2 injection is an enhanced oil recovery process consisting of injection, shut-in, and production. The study of cyclic CO2 injection and hydrocarbon recovery in ultra-low permeability reservoirs is mainly a function of rock, fluid, and operational parameters. CMG-GEM was used to study several design parameters of cyclic CO2 injection process to distinguish the parameters with maximum effect on the oil recovery and to comprehend the behavior of cyclic CO2 injection in tight reservoir. On the other hand, permeability reduction induced by asphaltene precipitation is one of the major issues in the oil industry due to its plugging onto the porous media which reduces the oil productivity. In addition to asphaltene deposition, solubility of CO2 in the aquifer is one of the safest and permanent trapping techniques when considering CO2 storage mechanisms in geological formations. However, the effects of the above uncertain parameters on the process of CO2 enhanced oil recovery have not been understood systematically. Hence, it is absolutely necessary to study the most significant parameters which dominate the process. The main objective of this study is to improve techniques for designing cyclic CO2 injection process while considering the effects of asphaltene deposition and solubility of CO2 in the brine in order to prevent asphaltene precipitation, minimize CO2 emission, optimize cyclic CO2 injection, and maximize oil production.

Keywords: tight reservoirs, cyclic O₂ injection, asphaltene, solubility, reservoir simulation

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824 A Platform to Screen Targeting Molecules of Ligand-EGFR Interactions

Authors: Wei-Ting Kuo, Feng-Huei Lin

Abstract:

Epidermal growth factor receptor (EGFR) is often constitutively stimulated in cancer owing to the binding of ligands such as epidermal growth factor (EGF), so it is necessary to investigate the interaction between EGFR and its targeting biomolecules which were over ligands binding. This study would focus on the binding affinity and adhesion force of two targeting products anti-EGFR monoclonal antibody (mAb) and peptide A to EGFR comparing with EGF. Surface plasmon resonance (SPR) was used to obtain the equilibrium dissociation constant to evaluate the binding affinity. Atomic force microscopy (AFM) was performed to detect adhesion force. The result showed that binding affinity of mAb to EGFR was higher than that of EGF to EGFR, and peptide A to EGFR was lowest. The adhesion force between EGFR and mAb that was higher than EGF and peptide A to EGFR was lowest. From the studies, we could conclude that mAb had better adhesion force and binding affinity to EGFR than that of EGF and peptide A. SPR and AFM could confirm the interaction between receptor and targeting ligand easily and carefully. It provide a platform to screen ligands for receptor targeting and drug delivery.

Keywords: adhesion force, binding affinity, epidermal growth factor receptor, target molecule

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823 The Small Strain Effects to the Shear Strength and Maximum Stiffness of Post-Cyclic Degradation of Hemic Peat Soil

Authors: Z. Adnan, M. M. Habib

Abstract:

The laboratory tests for measuring the effects of small strain to the shear strength and maximum stiffness development of post-cyclic degradation of hemic peat are reviewed in this paper. A series of laboratory testing has been conducted to fulfil the objective of this research to study the post-cyclic behaviour of peat soil and focuses on the small strain characteristics. For this purpose, a number of strain-controlled static, cyclic and post-cyclic triaxial tests were carried out in undrained condition on hemic peat soil. The shear strength and maximum stiffness of hemic peat are evaluated immediately after post-cyclic monotonic testing. There are two soil samples taken from West Johor and East Malaysia peat soil. Based on these laboratories and field testing data, it was found that the shear strength and maximum stiffness of peat soil decreased in post-cyclic monotonic loading than its initial shear strength and stiffness. In particular, degradation in shear strength and stiffness is more sensitive for peat soil due to fragile and uniform fibre structures. Shear strength of peat soil, τmax = 12.53 kPa (Beaufort peat, BFpt) and 36.61 kPa (Parit Nipah peat, PNpt) decreased than its initial 58.46 kPa and 91.67 kPa. The maximum stiffness, Gmax = 0.23 and 0.25 decreased markedly with post-cyclic, Gmax = 0.04 and 0.09. Simple correlations between the Gmax and the τmax effects due to small strain, ε = 0.1, the Gmax values for post-cyclic are relatively low compared to its initial Gmax. As a consequence, the reported values and patterns of both the West Johor and East Malaysia peat soil are generally the same.

Keywords: post-cyclic, strain, maximum stiffness, shear strength

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822 Effect of Oat-Protein Peptide in Cognitive Impairment Mice via Mediating Gut-Brain Axis

Authors: Hamad Rafique

Abstract:

The bioactive peptide RDFPITWPW (RW-9) identified from oat protein has been reported to be positive in memory deficits. However, no clarity on the mechanisms responsible for the neuroprotective effects of RW-9 peptide against AD-like symptoms. Herein, it found that RW-9 intervention showed various improving effects in cognitive-behavioral tests and alleviated oxidative stress and inflammation in the scopolamine-induced mice model. The hippocampus proteomics analysis revealed the upregulation of memory-related proteins, including Grin3a, Ppp2r1b, Stat6, Pik3cd, Slc5a7, Chrm2, mainly involved in cAMP signaling, PI3K-Akt signaling, and JAK-STAT signaling pathways. The administration of RW-9 significantly upregulated the neurotransmitters, including 5-HT, DA, and Arg, in mice brains. Moreover, it regulated the serum metabolic profile and increased the expression levels of ABC transporters, biosynthesis of amino acids, and Amino acyl-tRNA biosynthesis, among others. The 16s-rRNA results illustrated that the RW-9 restored the abundance of Muribaculaceae, Lachnospiraceae, Lactobacillus, Clostridia and Bactericides. Taken together, our results suggest that the RW-9 may prevent the AD-like symptoms via modulation of the gut-serum-brain axis.

Keywords: oat protein, active peptide, neuroprotective, gut-brain axis

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