Development and evaluation of mixture formulations to enhance concrete resistance to microbial-induced corrosion by Roz-Ud-Din Nassar, Parviz Soroushian, Tewodros Ghebrab, Muhammad Sufyan-Ud-Din

“…Laboratory and insitu field experiments were implemented in order to screen different strategies. The study considered strategies involving; the use of hydrophobic additives for rendering capillary pores water-repelling; blend of pozzolans to refine the chemistry and pore system characteristics of concrete; use of polymer emulsions for refinement of concrete porosity, affinity for moisture and amenability to microbial growth; use of anti-microbial constituent for reducing the amenability of concrete to microbial growth; and incorporation of polyvinyl alcohol fibers for enhancing mechanical performance of concrete mixtures, were investigated.Test results indicate that two admixture formulations comprising of hydrophobic additive, and blend of pozzolan offer the best promise to achieve substantially enhanced resistance to microbial-induced corrosion and acid resistance in the aggressive sewer environment.…”
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Computer-aided design, synthesis, and characterization of molecular hybrids of dihydropyrazoles, aminopyrimidines, and thiazolidin-4-ones as potential inhibitors of the penicillin-... by Fabián Orozco-López, Liliana Rocío Guerrero Villalobos , Paola Andrea Cuervo Prado

“…Seven structures were chosen by their energies of affinity and docking interactions with key residues in the active site of the receptor. …”
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The landscape of T-cell engagers for the treatment of follicular lymphoma by Alfredo Rivas-Delgado, Ivan Landego, Lorenzo Falchi

“…Despite its initial responsiveness to chemoimmunotherapy, FL is generally considered incurable. Strategies to improve immune-mediated control of FL could significantly benefit this population, particularly as it includes many elderly and comorbid patients. …”
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In Silico Screening, Alanine Mutation, and DFT Approaches for Identification of NS2B/NS3 Protease Inhibitors by R. Balajee, V. Srinivasadesikan, M. Sakthivadivel, P. Gunasekaran

“…To identify the ligand that binds to a target protein with high affinity is a nontrivial task in computer-assisted approaches. …”
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Structure-properties relationships of polyhedral oligomeric silsesquioxane (POSS) filled PS nanocomposites by J. J. Schwab, V. Malatesta, F. P. La Mantia, N. Tz. Dintcheva, E. Morici, R. Arrigo

“…The rheological investigation suggests clearly that the POSS acts as a plasticizer and that the processability of the PS was positively modified. The affinity between the POSS samples and the PS matrix was estimated by the calculated theoretical solubility parameters, considering the Hoy’s method and by morphology analysis. …”
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How and when artificial intelligence adoption promotes employee knowledge sharing? The role of paradoxical leadership and technophilia by Xiaoyue Hu, Hongyan Gao, Tesfaye Agafari, Minnie Qing Zhang, Rong Cong

“…This study investigates how AI adoption promotes knowledge sharing through employee learning opportunities, while considering the moderating roles of paradoxical leadership and technophilia.MethodsA survey was conducted with 364 employees across various organizations to examine the proposed relationships. …”
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Nonfunctionalized Cation of an Ionic Liquid as a Ligand in the Synthesis of a New Coordination Compound and Assessment of Its Biological Activity by Getinet Tamiru Tigineh, Atakilt Abebe

“…Literature evidences reveal the affinity of ionic liquids for biomembranes that they are readily absorbed into the cell, resulting in a variety of biological effects, including broad antibacterial potential and anticancer activity. …”
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One step closer to Shakespeare or a complete defiance of the arrogant Enlightenment (Shakespeare in A. W. Schlegel's interpretation) by E. M. Lutsenko

“…Schlegel also discusses the making of national theatre traditions in Europe and shows the affinity between the English and the Spanish theatre as opposed to the French and Italian ones. …”
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Cloning and molecular modeling of free fatty acid receptor GPCR 43 with dietary flavonoids as novel ligands by Arooma Ihtsham, Rida Hayat, Fariha Khan

“… G-protein couple receptors (GPCRs) are considered as the largest membrane protein family involved in the regulation of body homeostasis in health and disease. …”
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CHEMOTYPE VERBOCCIDENTAFURAN IN Baccharis punctulata (Asteraceae): FURANIC SESQUITERPENES CORRELATION AND MOLECULAR DOCKING INTO THE BENZODIAZEPINE RECEPTOR by Jociani Ascari, Murilo S. de Oliveira, André L. Rüdiger, Elaine Elisabetsky, Domingos S. Nunes, Jorge Iulek, Dilamara R. Scharf, Gustavo Heiden

“…The results suggest that both compounds 1 and 2 must have affinity for the cavity at a1-y2 interface and support the development of pharmacological research on the compound verboccidentafuran 1 as a drug candidate for modulating the GABA/benzodiazepine complex in the central nervous system.…”
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Conditional Least Squares Estimation for Fractional Super Levy Processes in Nonlinear SPDEs by Jaya P. N. Bishwal

“…We consider infinite dimensional extension of affine models as super Levy processes satisfying a nonlinear SPDE. …”
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Improving unsupervised pedestrian re‐identification with enhanced feature representation and robust clustering by Jiang Luo, Lingjun Liu

“…Second, a dispersion‐based clustering method, which can effectively evaluate the quality of clustering and discover potential patterns in the data is designed. This approach considers a wider context of sample‐level pairwise relationships for robust cluster affinity assessment. …”
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Computational design, docking, and molecular dynamics simulation study of RNA helicase inhibitors of dengue virus by Raghunath Satpathy, Sonali Acharya, Rashmiranjan Behera

“…After screening for drug-likeness and ADMET properties, derivative number 42 was considered as promising. Further comparative docking of derivative 42 and a standard inhibitor molecule ST-610 with DENV RNA helicase enzyme showed binding affinity of 10.0 kcal/mol and -9.6 kcal/mol, respectively. …”
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<i>In silico</i> modeling of N294S mutation effect on the interaction of influenza virus N8 neuraminidase with zanamivir by E. A. Rukhlova, G. S. Onkhonova, M. N. Kosenko, I. M. Susloparov, I. A. Sobolev, A. B. Ryzhikov

“…A/chicken/Tatarstan/88/2017 (wild type) and A/chicken/Tatarstan/112/2017 (N294S mutation) influenza virus strains with zanamivir complexes were considered. The structures of two avian influenza virus A/H5N8 neuraminidase complexes with zanamivir were obtained and analysed.Homology modeling and molecular docking provides information about neuraminidase and inhibitors affinity. …”
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Behaviour of Silica and Florisil as Solid Supports in the Removal Process of As(V) from Aqueous Solutions by Andreea Gabor, Corneliu Mircea Davidescu, Adina Negrea, Mihaela Ciopec, Lavinia Lupa

“…Fe(III) was used because of As(V) affinity for it. The impregnated solid supports were characterized by energy dispersive X-ray analysis, scanning electron microscopy, Fourier transform infrared spectroscopy, and the specific surface area. …”
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Network pharmacology and molecular dynamics simulation reveal antineoplastic potential of Antarctic sponge-derived suberitenones by Prasenjit Bhowmik, Rahul Mallick, Asim K. Duttaroy

“…This study focuses on the investigation of the anti-neoplastic ability of of these suberitenones through different in silico analysis.MethodsThe study uses a variety of computational techniques, including quantitative structure–activity relationship (QSAR), ADMET, prediction of activity spectra for substances (PASS) prediction, network pharmacology, molecular docking, and molecular dynamics simulation.Results and discussionThe molecular docking showed that Suberitenone I, Secosuberitenone A, and Suberitenone J exhibited higher binding affinity of - 8.9, -9.4, and -8.8 kcal/mole against CASP3, MAPK3, and EGFR respectively which is further supported by molecular dynamics simulation analysis and can be considered for in vitro and in vivo investigation as potential antineoplastic agents.…”
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Lost for more than a century: the rediscovery of Alsodes vittatus (Philippi, 1902) (Anura, Alsodidae), one of the rarest and most elusive amphibians from Chile by Claudio Correa, Edvin Riveros-Riffo, Juan P. Donoso

“…We discuss the possibility that A. vittatus and A. neuquensis, known until now only in Argentina, are the same species, and suggest downgrading the conservation status of A. vittatus from Critically Endangered to Endangered, considering the information from the new localities discovered.…”
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Intranasal gene therapy to prevent infection by SARS-CoV-2 variants. by Joshua J Sims, Jenny A Greig, Kristofer T Michalson, Sharon Lian, R Alexander Martino, Rosemary Meggersee, Kevin B Turner, Kalyani Nambiar, Cecilia Dyer, Christian Hinderer, Makoto Horiuchi, Hanying Yan, Xin Huang, Shu-Jen Chen, James M Wilson

“…This approach could be useful in combating COVID-19 surges caused by SARS-CoV-2 variants and should be considered as a countermeasure to future pandemics caused by one of the many pre-emergent, ACE2-dependent CoVs that are poised for zoonosis.…”
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Mathematical modeling to understand the role of bivalent thrombin-fibrin binding during polymerization. by Michael A Kelley, Karin Leiderman

“…Here, we present a mathematical model of fibrin polymerization that considered the interactions between thrombin, fibrinogen, and fibrin, including those with γA/γ'. …”
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The Influence of Transjudicial Conversation in the Cross-fertilization of Philippine Human Rights Jurisprudence by James Gregory Alcaraz Villasis, Naparat Kranrattanasuit

“…These cases were purposively chosen, considering that Philippine provisions on these rights have shown close affinity with foreign constitutions. …”
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