In engineering, cost minimization, especially in Computer Numerical Control (CNC) machining like pocket milling, is crucial. Existing tool path definition software often lacks optimization, particularly at critical starting and ending points. This st...
During recent years, interest has been rising towards developing fluidic fiber-reinforced elastomer actuators for wearable soft robotics used in hand rehabilitation and power-assist. However, they do not enable finger abduction-adduction, which plays...
In recent years, Saturation Transfer Difference NMR (STD NMR) has been proven to be a powerful and versatile ligand-based NMR technique to elucidate crucial aspects in the investigation of protein-ligand complexes. Novel STD NMR approaches relying on...
To address the issues of subjectivity in the selection of design schemes for pocket parks in public building environments, as well as the lack of scientific and objective decision making, a comprehensive TOPSIS method-based optimization decision mode...
Saturation mutagenesis was performed over six residues delimiting the substrate binding pocket of a fungal laccase previously engineered in the lab. Mutant libraries were screened using sinapic acid as a model substrate, and those mutants presenting...
The machining of ceramic materials is challenging and often impossible to realize with conventional machining tools. In various manufacturing applications, rotary ultrasonic milling (RUM) shows strengths, in particular for the development of high-qua...
Pocket parks are small green spaces that significantly enhance urban livability, particularly in densely populated cities. To leverage this advantage, Chongqing has committed to establishing 100 pocket parks by 2024. This study assesses the landscape...
Cancer is the leading cause of death globally, with an increasing number of cases being annually reported. Nature-derived metabolites have been widely studied for their potential programmed necrosis, cytotoxicity, and anti-proliferation leading to en...
Accurately predicting drug–target interactions is a critical yet challenging task in drug discovery. Traditionally, pocket detection and drug–target affinity prediction have been treated as separate aspects of drug–target interactio...
The idea of building pocket parks in cities is one of the more rational proposals for utilizing cameral spaces to create new quality in terms of green areas while accounting for the potential to blend them into the compact functiospatial structure of...
Several studies have revealed that park green space (PGS) plays a crucial role in improving residents’ quality of life and promoting sustainable development of the environment. However, rapid urbanization and population growth have led to an in...
In recent years, although many ligand-binding site prediction methods have been developed, there has still been a great demand to improve the prediction accuracy and compare different prediction algorithms to evaluate their performances. In this work...
Cancer is one of the most common causes of human death worldwide; thus, numerous therapies, including chemotherapy, have been and are being continuously developed. In cancer cells, an aberrant mitotic spindle—a microtubule-based structure neces...
Functionalized pyrazole-urea scaffolds are a common type II chemotype for the inhibition of protein kinases (PKs), binding simultaneously into the ATP-binding pocket with an ATP bioisostere and into a vicinal allosteric pocket with a pyrazole group....
While selective inhibition is one of the key assets for a small molecule drug, many diseases can only be tackled by simultaneous inhibition of several proteins. An example where achieving selectivity is especially challenging are ligands targeting hu...
Harnesses can be used in various applications, such as entertainment, rescue operations, and medical applications. Because users are supported on the harness for a long time, they should feel comfortable wearing the harnesses. However, existing comme...
Tourmalines from the Anjanabonoina pegmatite field, Central Madagascar, exhibit some of the most complex multi-color zoning patterns known. These tourmalines are also rare because of their unusual Ca- and Li-rich liddicoatite composition. Liddicoatit...
Long-distance water conveyance systems often experience free-surface-pressurized flow transitions and air pocket entrapment during filling, which may trigger hazardous phenomena such as air explosions and geysering. Existing models typically lack suf...
SHP2, a pivotal component downstream of both receptor and non-receptor tyrosine kinases, has been underscored in the progression of various human cancers and neurodevelopmental disorders. Allosteric inhibitors have been proposed to regulate its autoi...
Dengue, West Nile, Zika, Yellow fever, and Japanese encephalitis viruses persist as significant global health threats. The development of new therapeutic strategies based on inhibiting essential viral enzymes or viral–host protein interactions...
Background/Objectives: This retrospective study aimed at evaluating the clinical performance of non-engaging abutments in multi-unit implant-supported prostheses and assessing the influence of abutment combinations and clinical variables on biologica...
Modulation of multiple protein targets with a single compound is essential for the effective treatment of central nervous system disorders. In our previous G protein-coupled receptor (GPCR) cell-based study, a selective human monoamine oxidase (hMAO)...
Development in the fields of natural-product-derived and synthetic small molecules is in stark contrast to the ongoing demand for novel antimicrobials to treat life-threatening infections caused by extended-spectrum β-lactamase producing Escheri...
Background: This study aimed to evaluate the effectiveness of a saliva-based screening method for periodontal disease among community-dwelling older adults in Japan. Methods: A total of 372 study participants (mean age: 73.1 years) with 20 or more re...
Accurately quantifying the ecological functions of small and micro green spaces in high density urban environments supports urban ecological planning and management. This study assessed 271 pocket parks in the main urban area of Fuzhou, China, using...
Proteins are modular functionalities regulating multiple cellular activities in prokaryotes and eukaryotes. As a consequence of higher plants adapting to arid and thermal conditions, C4 photosynthesis is the carbon fixation process involving multi-en...
The development of anticancer drugs remains challenging owing to the potential for drug resistance. The simultaneous inhibition of multiple targets involved in cancer could overcome resistance, and these agents would exhibit higher potency than singl...
The streaming and recording of smartphone sensor signals is desirable for mHealth, telemedicine, environmental monitoring and other applications. Time series data gathered in these fields typically benefit from the time-synchronized integration of di...
In this study, we performed all-atom MD simulations of RBD–ACE2 complexes for BA.1, BA.1.1, BA.2, and BA.3 Omicron subvariants, conducted a systematic mutational scanning of the RBD–ACE2 binding interfaces and analysis of electrostatic ef...
SHIP2 is a multi-domain inositol 5-phosphatase binding to a variety of phosphotyrosine (pY)-containing proteins through its SH2 domain, so as to regulate various cell signaling pathways by modulating the phosphatidylinositol level in the plasma membr...
Background: The SARS-CoV-2 3CLpro is essential for viral replication and an attractive target for antiviral intervention. While most strategies target the catalytic site, recent studies suggest that the dimerization interface and cryptic allosteric p...
Polyphenol ellagic acid (EA) possesses antioxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and cardio protection activities, making it an interesting multi-targeting profile. EA also controls the central nervous system (CNS), since it wa...
DNA gyrases are enzymes that control the topology of DNA in bacteria cells. This is a vital function for bacteria. For this reason, DNA gyrases are targeted by widely used antibiotics such as quinolones. Recently, structural and biochemical investiga...
Presently, the world is under the toll of pandemic coronavirus disease-2019 (COVID-19) outbreak caused by SARS-CoV-2. Lack of effective and safe therapeutics has stressed the scientific community for developing novel therapeutics capable of alleviati...
Enhanced expression of carboxylesterase (CarE) genes is an important mechanism of insecticide resistance in pests. However, their roles in multi-insecticide resistance have rarely been reported. Herein, two CarE genes (PxαE6 and PxαE9) we...
Less invasive surfactant administration (LISA) has been introduced at our tertiary Level IV perinatal center since 2016 with an unsatisfactory success rate, which we attributed to an inconsistent, non-standardized approach and ambiguous patient inclu...
This paper presents the mission analysis of 3Cat-8, a 6-Unit CubeSat mission being developed by the UPC NanoSat Lab for ionospheric research. The primary objective of the mission is to monitor the ionospheric scintillation of the aurora, and to perfo...
In this study, in order to reveal the influence mechanism of bearing parameters on pneumatic hammering, an aerostatic bearing with a multi-orifice-type restrictor is analyzed. Firstly, the flow field is investigated, and the vortex-induced excitation...
Urban disasters pose severe, concentrated risks to dense populations, generating asymmetric and time-critical demands on emergency services and infrastructure. To address these challenges, we develop a behaviorally informed shelter siting framework t...
In this study, the multi-phase Eulerian–Eulerian two-fluid method (TFM) coupled with the kinetic theory of granular flow (KTGF) was used to investigate the hydrodynamics of particle flows (Geldart Group B) in a lab-scale bubbling fluidized bed. The g...
Polypharmacology is nowadays considered an increasingly crucial aspect in discovering new drugs as a number of original single-target drugs have been performing far behind expectations during the last ten years. In this scenario, multi-target drugs a...
Three-dimensional (3D) printed anatomical models are valuable visual aids that are widely used in clinical and academic settings to teach complex anatomy. Procedures for converting human biomedical image datasets, like X-ray computed tomography (CT),...
Epigallocatechin gallate (EGCg), an abundant phytochemical in green tea, is an antioxidant that also binds proteins and complex metals. After gastrointestinal absorption, EGCg binds to serum albumin in the hydrophobic pocket between domains IIA and I...
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The aim of this study is to measure universal health coverage in Emerging 7 (E7) economies. Within this framework, five different dimensions and 14 different criteria are selected by considering the explanations of World Health Organization and Unite...
Rhodopsin, the prototypical Class A G protein-coupled receptor (GPCR) and visual pigment of rod photoreceptors, has long served as a structural and mechanistic model for GPCR biology. Mutations in rhodopsin are the leading cause of autosomal dominant...
Landscape stewardship is increasingly understood within the framing of complex social-ecological systems. To consider the implications of this, we focus on one of the key characteristics of complex social-ecological systems: they are relationally con...
The SARS-CoV-2 non-structural protein 13 (nsp13) helicase is an essential enzyme for viral replication and has been identified as an attractive target for the development of new antiviral drugs. In detail, the helicase catalyzes the unwinding of doub...
The drug/proton antiporter AcrB, engine of the major efflux pump AcrAB(Z)-TolC of Escherichia coli and other bacteria, is characterized by its impressive ability to transport chemically diverse compounds, conferring a multi-drug resistance (MDR) phen...
The rare flavonoid, patuletin, was isolated from the flowers of Tagetes patula growing in Egypt. The rarity of the isolated compound inspired us to scrutinize its preventive effect against COVID-19 utilizing a multi-step computational approach. First...
In 2002, a new class of thymidylate synthase (TS) involved in the de novo synthesis of dTMP named Flavin-Dependent Thymidylate Synthase (FDTS) encoded by the thyX gene was discovered; FDTS is present only in 30% of prokaryote pathogens and not in hum...
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