To overcome the limitations imposed by the anisotropy and heterogeneity of natural loess, this study establishes a novel quantitative macro–micro correlation framework for investigating the deformation mechanisms of artificial structural loess...
Due to the scarcity and uneven distribution of data, as well as the complexity of geological conditions, high-precision 3D hydrogeological structure modeling, especially at large scales, remains a significant challenge in the field. To address this i...
In recent years, lubricant research has developed from empirical to theoretical, from descriptive to rational, from qualitative to quantitative, and from macroscopic to microscopic studies. This review presents the new concept of the quantitative str...
Due to their beneficial effects on human health, antioxidant peptides have attracted much attention from researchers. However, the structure-activity relationships of antioxidant peptides have not been fully understood. In this paper, quantitative st...
In the toxicological testing of new small-molecule compounds, it is desirable to establish in silico test methods to predict toxicity instead of relying on animal testing. Since quantitative structure–activity relationships (QSARs) can predict...
Forest aboveground biomass (AGB) plays a key role in assessing forest productivity. In this study, we extracted individual tree structural parameters using backpack LiDAR, assessed their accuracy using terrestrial laser scanning (TLS) data and field...
In an ongoing research program for the development of new anti-tuberculosis drugs, we synthesized three series (A, B, and C) of 7-chloro-4-aminoquinolines, which were evaluated in vitro against Mycobacterium tuberculosis (MTB). Now, we report the ant...
Individual tree attributes, such as stem volume and biomass, are usually predicted by using traditional field-derived allometric models. However, these models are derived from data collected from small areas and lack a level of detail of tree compone...
Allometric scaling is closely related to the morphology, function and behavior of trees, which are of great significance to the study of ecology. However, most of the traditional allometric scaling studies used the scalar attributes of trees, without...
Tree species classification is a ubiquitous task in the forest inventory field. Only directly measured feature vectors have been applied to most existing methods that use LiDAR technology for tree species classification. As a result, it is difficult...
Quantitative structure–activity relationship (QSAR) and quantitative structure–property relationship (QSPR) are established techniques to relate endpoints to molecular features. We present the Alvascience software suite that takes care of...
The simulation of landscape pattern optimization allocation (LPOA) to achieve ecological security is an important issue when constructing regional ecological security patterns. In this study, an LPOA model was developed by integrating a binary logist...
The macroscopic physical properties of rocks are profoundly determined by their microstructure, and the research of accurately characterizing rock pore structure has been extensively carried out in the fields of petroleum engineering and geoscience....
In this study, the antioxidant components in co-culture of Chlorella pyrenoidosa and Yarrowia lipolytica (3:1 ratio) were confirmed as trypsin-hydrolyzed peptides (EHPs). The EHPs were composed of 836 different peptides with molecular weights ranging...
Repellents play a fundamental role in vector control and prevention to keep mosquitoes away from humans. Available in limited numbers, it is absolutely necessary to find new repellents for preventing problems of resistance. QSAR (Quantitative Structu...
With the continuous development of smart ports, the construction of port information systems has become the construction focus of the future development of such ports. However, the existing performance evaluation system for port information systems r...
Rural China is experiencing a phase of rapid transition and new conflicts have arisen between the sharp shrink of rural production space and the high goal of rural economic development due to the spatial competition amongst multiple stakeholders and...
Despite decades of intensive research and a number of demonstrable successes, quantitative structure-activity relationship (QSAR) models still fail to yield predictions with reasonable accuracy in some circumstances, especially when the QSAR paradox...
The design and synthesis of enhanced membrane-intercalating biomaterials for drug delivery or vascular membrane targeting is currently challenged by the lack of screening and prediction tools. The present work demonstrates the generation of a Quantit...
Four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis was applied on a series of 54 2-arylbenzothiophene derivatives, synthesized by Grese and coworkers, based on raloxifene (an estrogen receptor-alpha antagonist), and eval...
Ion channels are involved in a broad range of physiological and pathological processes. The implications of ion channels in a variety of diseases, including diabetes, epilepsy, hypertension, cancer and even chronic pain, have signaled them as pivotal...
In this paper, a structural time series model is estimated to analyse the effect of quantitative easing (QE) on stock prices for the US, UK and Japan. The model is estimated by maximum likelihood in a time-varying parametric framework, using the DJIA...
The withdrawal of effective but toxic corrosion inhibitors has provided an impetus for the discovery of new, benign organic compounds to fill that role. Concurrently, developments in the high-throughput synthesis of organic compounds, the establishme...
The n-octanol–water partition coefficient (logP) is an important physicochemical parameter which describes the behavior of organic compounds. In this work, the apparent n-octanol/water partition coefficients (logD) of basic compounds were deter...
The branches of fruit trees provide support for the growth of leaves, buds, flowers, fruits, and other organs. The number and length of branches guarantee the normal growth, flowering, and fruiting of fruit trees and are thus important indicators of...
Predicting toxicity quantitatively, using Quantitative Structure Activity Relationships (QSAR), has matured over recent years to the point that the predictions can be used to help identify missing comparison values in a substance’s database. In this...
Forests play an important role in promoting carbon cycling and mitigating the urban heat island effect as one of the world’s major carbon storages. Scientifically quantifying tree biomass is the basis for assessing tree carbon storage and other...
The epidermal growth factor receptor (EGFR) is upregulated in glioblastoma, becoming an attractive therapeutic target. However, activation of compensatory pathways generates inputs to downstream PI3Kp110β signaling, leading to anti-EGFR therapeu...
Recently developed quantitative structure–activity relationship (QSAR) prediction uses machine learning techniques with analytical signals from the full scan of mass spectra as input, and does not need exhaustive structural determination to ass...
Structural changes in savanna trees vary spatially and temporally because of both biotic and abiotic drivers, as well as the complex interactions between them. Given this complexity, it is essential to monitor and quantify woody structural changes in...
1 February 2022
Several challenges exist for successful nanoparticle cellular uptake—they must be able to cross many physical barriers to reach their target and overcome the cell membrane. A strategy to overcome this challenge is to exploit natural uptake mech...
Background/Objectives: The components of food and beverages are important elements that determine their palatability. Although the components of sake, a traditional Japanese alcoholic beverage, have been studied for many years, their correlation with...
Modified quantitative structure retention relationships (QSRRs) are proposed and applied to describe two retention data sets: A set of 94 metabolites studied by a hydrophilic interaction chromatography system under organic content gradient conditions...
(1) Background: Although the field of natural product (NP) drug discovery has been extensively developed, there are still several bottlenecks hindering the development of drugs from NPs. The PD-1/PD-L1 immune checkpoint axis plays a crucial role in i...
The degree of tree curvature exerts a significant influence on the utilization of forestry resources. This study proposes an enhanced quantitative structural modeling (QSM) method, founded upon terrestrial laser scanning (TLS) point cloud data, for t...
Synthetic and natural ionophores have been developed to catalyze ion transport and have been shown to exhibit a variety of biological effects. We synthesized 24 aza- and diaza-crown ethers containing adamantyl, adamantylalkyl, aminomethylbenzoyl, and...
Tree-level information can be estimated based on light detection and ranging (LiDAR) point clouds. We propose to develop a quantitative structural model based on terrestrial laser scanning (TLS) point clouds to automatically and accurately estimate t...
Allometric equations are the most common way of assessing Aboveground biomass (AGB) but few exist for savanna ecosystems. The need for the accurate estimation of AGB has triggered an increase in the amount of research towards the 3D quantification of...
Quantitative Structure Activity Relationship (QSAR) models can inform on the correlation between activities and structure-based molecular descriptors. This information is important for the understanding of the factors that govern molecular properties...
The wind-induced response of structures is typically studied in wind tunnels either on scaled models or using numerical approaches under similar transient load conditions. In early design phases—where the potential for impactful change is most...
Predictive accuracy in wildland fire behavior is contingent on a thorough understanding of the 3D fuel distribution. However, this task is complicated by the complex nature of fuel forms and the associated constraints in sampling and quantification....
Terrestrial laser scanning (TLS) has been successfully used for three-dimensional (3D) data capture in forests for almost two decades. Beyond the plot-based data capturing capabilities of TLS, vehicle-based mobile laser scanning (MLS) systems have th...
In the field of the cosmetic industry, significant efforts are made to develop methods that are not only cost effective and time effective but are also environmentally friendly and cruelty free. Cosmetic tests using in vivo animal models are currentl...
Cytochrome P450 enzymes (CYPs) are important phase I enzymes involved in the metabolism of endogenous and xenobiotic compounds mainly through mono-oxygenation reactions into more polar and easier to excrete species. In addition to their role in detox...
We present a new application of terrestrial laser scanning and mathematical modelling for the quantitative change detection of tree biomass, volume, and structure. We investigate the feasibility of the approach with two case studies on trees, assess...
The discovery of selective inhibitors of biological target proteins is the primary goal of many drug discovery campaigns. However, this goal has proven elusive, especially for inhibitors targeting the well-conserved orthosteric adenosine triphosphate...
Terpenoids, including monoterpenoids (C10), norisoprenoids (C13), and sesquiterpenoids (C15), constitute a large group of plant-derived naturally occurring secondary metabolites with highly diverse chemical structures. A quantitative structure–...
Three complementary quantitative structure–activity relationship (QSAR) methodologies, namely, regression modeling based on (i) “classical” molecular descriptors, (ii) 3D pharmacophore features, and (iii) 2D molecular holograms (HQS...
Predictive models were developed using two-dimensional quantitative structure activity relationship (QSAR) methods coupled with B3LYP/6-311+G** density functional theory modeling that describe the antimicrobial properties of twenty-four triazolothiad...
The Federal Reserve has played an arguably important role in financial crises in the United States since its creation in 1913 through monetary policy tools. Thus, this paper aims to analyze the impact of monetary policy on the United States’ ec...
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