bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dynamics in the Water Towers of the Pamir and Downstream Consequences
Authors: Sidle Roy , Caiserman Arnaud , Khojazoda Zulfiqor , Salazar Álvaro 
Published: June 2022

Abstract
Changes in water delivery from the Pamir Water Towers to streams affect poor regions of Central Asia. We used a 20-yr remotely sensed climate record to assess water source dynamics in the sparsely monitored region. Varying spatial and temporal patterns of rain and snowfall occurred throughout the region. Temperatures increased across the east-central Panj and eastern Vakhsh basins. Warmer temperatures in central Panj and Wakhan corridor coupled with minor declines in snow water will induce water stress during dry years. In contrast, stable temperatures at lower elevations together with increasing precipitation, especially in spring, will benefit agriculture and community water supplies. Seasonal temperature increases, particularly in December, occurred in glaciated areas; however, December temperatures were <-20°C. In the Fedchenko and lower Panj glacier sectors, increasing spring snowfall offsets temperature increases causing little glacier mass change. The Wakhan corridor is at highest risk of glacier mass loss due to declining snow in early spring and increasing temperature in late winter and early spring. Interannual snowfall variability poses the largest uncertainty for water supplies. Permafrost thaw may contribute a small, but timely, source of runoff. Because of high interannual and spatial variability of precipitation, regional climate change scenarios cannot inform adaptation measures for mountain communities, thus, more granular-scale data are needed.
Marginal Zone B cells produce 'natural' atheroprotective IgM antibodies in a T-cell-dependent manner
Authors: Harrison James , Newland Stephen , Jiang Wei , Zhao Xiaohui , Clement Marc , Masters Leanne , Corovic Andrej , Zhang Xian , Drago Fabrizio , Ma Marcella , Kozma Maria Ozsvar , Yasin Froher , Saady Yuta , Kothari Hema , Zhao Tian , Shi Guo-Ping , McNamara Coleen , Binder Christoph , Sage Andrew , Tarkin Jason , Mallat Ziad , Nus Meritxell 
Published: June 2022

Abstract
The adaptive immune response plays an important role in atherosclerosis. In response to a high fat/high cholesterol diet, marginal zone B (MZB) cells activate an atheroprotective programme by regulating the differentiation and accumulation of T follicular helper (Tfh) cells. On the other hand, Tfh cells activate the germinal centre response, which promotes atherosclerosis in part through the production of class-switched high-affinity antibodies. However, the direct role of Tfh cells in atherosclerosis remains poorly understood. Here, using a low-density lipoprotein receptor deficient (Ldlr-/-) atherogenic mouse model with selective genetic deletion of Tfh cells, we unexpectedly found that Tfh protect from early atherosclerosis. Mice lacking Tfh had decreased class-switched IgG antibodies against oxidation-specific epitopes (OSE), but also decreased atheroprotective natural IgM-type anti-phosphorycholine (PC) antibodies, despite no alteration of natural B1 cells. RNAseq of MZB cells showed that these cells failed to activate their antibody-secreting machinery in the absence of Tfh. Moreover, MZB cell deficiency in Ldlr-/- mice was associated with a significant decrease in atheroprotective IgM antibodies, including natural anti-PC IgM. In humans, we find a positive correlation between circulating MZB-like cells and anti-OSE IgM antibodies. Finally, we identify an important role for IL18 signalling in high fat/high cholesterol diet-induced Tfh. Our findings reveal a previously unsuspected role of MZB cells in regulating atheroprotective “natural” IgM antibody production in a Tfh-dependent manner, which could have important pathophysiological and therapeutic implications.
Hyperspectral imaging-based classification of rice leaf blast severity over multiple growth stages
Authors: Zhang Guosheng , Xu Tongyu , Tian Youwen 
Published: June 2022

Abstract
Background: Rice blast, which is prevalent worldwide, represents a serious threat to harvested crop yield and quality. Hyperspectral imaging, an emerging technology used in plant disease research, is a stable, repeatable method for disease grading. Current methods for assessing disease severity have mostly focused on individual growth stages rather than multiple ones. In this study, we calculated the spectral reflectance ratio (SRR) of whole leaves and healthy leaf tissues and constructed a support vector machine (SVM) model to assess rice leaf blast severity over multiple growth stages.Results: The average accuracy, micro F1 values, and macro F1 values of the full-spectrum-based SVM model were respectively 94.75%, 0.869, and 0.883 in 2019; 92.92%, 0.823, and 0.808 in 2021; and 88.09%, 0.792, and 0.757 under the 2019–2021 combined model. The SRR–SVM model could be used to evaluate rice leaf blast disease during multiple growth stages and had good generalizability.Conclusions: The proposed SRR data analysis method is able to eliminate differences among individuals to some extent, thus allowing for its application to assess rice leaf blast severity over multiple growth stages. Our approach, which can supplement single-stage disease-degree classification, provides a possible direction for future research on the assessment of plant disease severity during multiple growth stages.
Using Ground-Based Small Telescopes in Solving Orbits of some Asteroids
Authors: Odeh Mohammad , Al-Wardat Mashhoor 
Published: June 2022

Abstract
We present the ability of small telescopes in solving the orbits of bright asteroids. Where we used observations of a 5-inch apochromatic refractor telescope to solve the orbits of some asteroids. The telescope is located in Al-Khatim Observatory in the desert of Abu Dhabi in United Arab Emirates. The code of the observatory "MPC Code" is M44.
In order to test the accuracy of our observations, we used two asteroids with solved orbits published in the Minor Planet Center website based on thousands of observations. These are 1036 Ganymed from Amor group and 99942 Apophis from Aten and PHA groups.
The results show a great match between the orbital element sets of both asteroids. The maximum errors were 0.2% and 0.1% for Ganymed and Apophis, respectively. As for the equatorial coordinates generated by both sets, we found that the difference for Apophis is less than one arc minute, and for Ganymed is less than 2 arcseconds. Thus, we conclude that a small telescope with good guiding accuracy can be used to obtain very accurate orbital elements for bright asteroids.
P450cam (CYP101A1) Mutants for Endosulfan Degradation: Complete Dehalogenation of Endosulfan Diol and Related Compounds
Authors: Rehman Abdul , Gkaleni Nicole , Balaraman Priyadarshini , Prasad Brinda , Plettner Erika 
Published: June 2022

Abstract
Cytochrome P450cam (CYP101A1) from the soil bacterium Pseudomonas putida oxidizes camphor regio- and stereoselectively at the 5-position, to give 5-exo-hydroxycamphor. Previously, we randomly mutated P450cam and selected seven mutants on the bicyclic polychlorinated insecticide and persistent organic pollutant, endosulfan (ES). Here we describe the activity of the seven mutants of P450cam with ES diol, ES, ES lactone, ES ether, ES sulfate, and heptachlor. ES diol, ES lactone, ES ether, and ES sulfate are persistent biotransformation products of ES in the environment. They all have the hexachlorinated norbornene (bicyclo[2.2.1] hept-2-ene) moiety intact. The P450cam mutants (and to a small extent the wild type) convert these substrates to substituted ortho-quinones, which we detected using 4-aminoantipyrine (4-AAP) in spectrophotometric assays. Here we have studied dehalogenation of ES and related compounds catalyzed by the endosulfan–selected P450cam mutants, using in vitro kinetics, chloride release assays, and 13C labeled endosulfan diol. We found that mutants ES7 (V247F/D297N/K314E) and ES6 (G120S) were significantly more active towards ES diol than the WT. On average, close to six Cl- ions are released per aromatic product detected upon turnover of ES diol. Finally, product isolation from reactions with non-labeled and 13C labeled ES diol confirmed that substituted catechols formed. Based on these findings, we propose that dehalogenagion begins with the oxidation of the ES double bond on the norbornene system, proceeds with eliminating six chloride ions and loss of the bridge as CO2 to furnish an ortho-quinone, which can be reduced non-enzymatically to the corresponding catechol.
WITHDRAWN: Effects of different physical factors on the heat conduction properties of carbon nanotubes on an atomic scale using molecular dynamics
Authors: Chen Junjie 
Published: June 2022

Abstract
Atomic-scale computations were carried out to investigate the properties of nanoscale thermal transport in single-walled carbon nanotubes. The effects of crystal length, atom number, and temperature on the thermal conductivity of single-walled carbon nanotubes were evaluated. The thermal conductivity of single-walled carbon nanotubes was determined to understand the characteristics of thermal transport in the nanostructured materials. The objective is to gain insight into the fundamental characteristics of thermal transport in single-walled carbon nanotubes. Particular emphasis is placed on the dependence of crystal length, atom number, and temperature on the thermal conductivity of single-walled carbon nanotubes, with an attempt to improve the heat conduction properties for carbon-based nanostructured materials. The results indicated that phonons are derived from the crystal lattice. The crystal length and temperature are the primary factors affecting the thermal conductivity of single-walled carbon nanotubes. The atom number has little effect on the thermal conductivity. The difference in thermal conductivity is insignificant between single-walled zigzag and armchair carbon nanotubes. However, the thermal conductivity of single-walled carbon nanotubes depends strongly upon the crystal length. There is a significant effect of crystal length on the thermal conductivity. Phonon-boundary scattering instead of phonon-phonon Umklapp scattering is the dominant scattering mechanism. The thermal conductivity of single-walled carbon nanotubes is approximately constant at high temperatures. At low temperatures well below the Debye temperature, thermal conductivity of single-walled carbon nanotubes decreases, as does the heat capacity.
Energy Efficient TDMA and Secure based MAC Protocol for WSN using AQL Coding and ASGWI Clustering
Authors: Vankdothu Ramdas , Abdul Hameed Mohd 
Published: June 2022

Abstract

This work presents a Secure and Energy Efficient TDMA based MAC Protocol in Wireless Sensor Networks. The presented technique is handled in the following stages. In the initial phase, adaptable step size grey wolf inspired (ASGWI) clustering methodology is presented for producing viable cluster trees by optimal selection of cluster heads. The ASGWI clustering decreases the expense of finding the ideal situation for the head hubs in a cluster. In the second stage, reliable routing is provided by the adaptive quantum logic (AQL) coding to advance the system security in WSN. At last, the energy effective secure information correspondence approach is proposed inside the cluster instead of the base station for TDMA scheduling. Here, the determination models of the objective function are created dependent on the remaining energy, Headcount, intra-cluster distance, and node degree. The presented TDMA scheduling for Cluster-tree topology in WSNs meets the practicality and the energy demands. The exploratory outcomes show the predominance of the introduced approach contrasting and the current strategies regarding network throughput, end-to-end delay, packet delivery ratio, and the remaining energy level of the nodes
Development of customized water quality index for medium- and long-term evaluation of urban river water quality
Authors: Lee J. H. , Lee J. Y. , Cha Y. S. , Cho S. J. , Kim T. H. , Cha Y. K. , Koo J. Y. 
Published: June 2022

Abstract
In this study, a customized WQI (Seoul water quality index, S-WQI) for urban rivers that can ultimately reflect their characteristics was developed by modifying and supplementing the existing Bascarόn WQI calculation method through linkage with statistical methods such as factor analysis. We used the water quality data generated monthly at 17 water quality monitoring networks (WQMNs) in Seoul for 18 years, from 2002 to 2019. Results of the research show that the monthly S-WQI showed an average 70 out of 100, ‘good (II)’ grades, whereas the average water quality grade according to the environmental standards was ‘slightly good (II),’ with an R2 value of 0.8298. The annual S-WQI was found to be 39 (bad) to 97 (very good), with an average of 72 (good). Through this study, S-WQI, a customized WQI for urban rivers, was judged to be a reasonable index that can represent the characteristics of urban river water quality. This is because it is easy to apply and is a calculation method that uses relatively fewer water quality items than the WQI calculated in the past, and it is highly likely to be linked to the currently implemented water quality grade system. In addition, to extend the application of WQI to various water quality survey points, based on the calculation methodology performed to derive the indices in this study, such as modified S-WQI (MS-WQI), by adding new water quality items and changing some items, it is also possible to develop an advanced customized WQI for urban rivers considering watershed characteristics and measurement items.
Fasting Plasma Glucose and Glycohemoglobin with Allergic Symptoms
and Specific Sensitization: Results from NHANES 2005-2006
Authors: Tao Ze-Zhang , Lu Gan , Deng Yu-Qin , Xi Yang , Li Song , Chen Shi-Ming , Kong Yong-Gang , Xu Yu , Li Fen 
Published: June 2022

Objective:
The National Health and Nutrition Examination Survey (NHANES) data has
been used to study the relationship between fasting plasma glucose (FPG) and glycohemoglobin
(A1c) in patients with allergic symptoms and specific sensitization, respectively.

Methods:
A total of 1,687 participants and a variety of logistic regression models were selected
based on the 2005-2006 NHANES (n = 10,348) for our study to describe the relationship between
FPG and A1c in subjects with the sensitivity of allergic symptoms, specific sensitization and specific
sensitization of 19 allergens, respectively. On this basis, a variety of logistic regression models
were further established for hierarchical analysis to study the limiting conditions when FPG and
A1c were related to allergic symptoms.

Results:
We adjusted the confounding factors and found that the risk of specific sensitization increased
with the increase in FPG and A1c. Stratified analysis showed that the risk of allergic symptoms
increased with the increase in FPG and A1c when born elsewhere other than in the U.S. and
Mexico or underweight or overweight or with hypertension. Furthermore, we found that the risk of
egg sensitization increased with the increase in FPG and A1c, while the risk of rat sensitization decreased
with the increase in FPG.

Conclusion:
Under certain conditions, FPG and A1c were risk factors for allergic symptoms. FPG
and A1c were risk factors for specific sensitization, especially egg sensitization. These findings indicate
a possible link between diabetes and allergies.
miRNA-633 and KAI1 as Potential Biomarkers of Malignant Melanoma
with Gastric Cancer
Authors: Wang Zheng-Xiang , Zhang Guang-Jing , Yang Xiu-Fang , Feng Shi-Jun , Ji Shan-Shan , Qi Ya-Bin 
Published: June 2022

Objective:
Malignant melanoma with gastric cancer is one of the most malignant
tumors. However, there have been no reports on the effects of KAI1 and miRNA-633 on the survival
and prognosis of patients with malignant melanoma with gastric cancer.

Methods:
Fifty patients with malignant melanoma and gastric cancer were collected from October
2017 to December 2019. The clinical parameters included clinical information, such as sex, age,
tumor size, and tumor staging. RT-qPCR was used to detect the expression of KAI1 and miRNA-
633. The role of KAI1 and miRNA-633 on the overall survival of melanoma was explored by the
Pearson chi-square test, Spearman-rho correlation test, Univariate and multivariate cox regression
analyses, and Kaplan–Meier method. Furthermore, the bioinformatic analysis was used to verify
the role of KAI1 and miRNA-633 on malignant melanoma with gastric cancer.

Results:
The expression of KAI1 and miRNA-633 was significantly related with the tumor size
and staging of tumor (p<0.05) based on the Pearson chi-square test. Spearman’s correlation coefficient
displayed that KAI1 was significantly correlated with the miRNA-633 (ρ=-0.439, p=0.001).
The result of multivariate cox proportional regression analysis showed that KAI1 (HR =0.109,
95% CI: 0.031-0.375, p< 0.001), and miRNA-633 (HR = 13.315, 95% CI: 3.844-46.119, p<0.001)
were significantly associated with overall survival.

Conclusion:
The low expression level of KAI1 and high expression of miRNA-633 are significantly
correlated with the poor overall survival prognosis of malignant melanoma with gastric cancer,
to provide a basis for KAI1 and miRNA-633 to become novel molecular targets for malignant melanoma
with gastric cancer.
Surface Engineered Dendrimers: A Potential Nanocarrier for the Effective Management of Glioblastoma Multiforme
Authors: Sahoo Rakesh Kumar , Gupta Tanisha , Batheja Sanya , Goyal Amit Kumar , Gupta Umesh 
Published: June 2022

Abstract:Gliomas are the most prevailing intracranial tumors, which account for approximately 36% of the primary brain tumors of glial cells. Glioblastoma multiforme (GBM) possesses a higher degree of malignancy among different gliomas. The blood-brain barrier (BBB) protects the brain against infections and toxic substances by preventing foreign molecules or unwanted cells from entering the brain parenchyma. Nano-carriers such as liposomes, nanoparticles, dendrimers, etc. boost the brain permeability of various anticancer drugs or other drugs. The favorable properties like small size, better solubility, and the modifiable surface of dendrimers have proven their broad applicability in the better management of GBM. However, in vitro and in vivo toxicities caused by dendrimers have been a significant concern. The presence of multiple functionalities on the surface of dendrimers enables the grafting of target ligand and/or therapeutic moieties. Surface engineering improves certain properties like targeting efficiency, pharmacokinetic profile, therapeutic effect, and toxicity reduction. This review will be focused on the role of different surface-modified dendrimers in the effective management of GBM.
In silico Design of Novel SAM Analogs as Potential Inhibitors Against
N2G966 16s rRNA Methyltransferase (RsmD)
Authors: Salaikumaran Muthu Raj , Prasad Burra Venkata Laxmi Siva 
Published: June 2022

Introduction:
Tuberculosis (TB), caused by Mycobacterium tuberculosis (M.tb), has its natural
history tracing back to 70,000 years. Latent M.tb infection is the reservoir of the TB epidemic. M.tb is
becoming more prevalent and acquiring multidrug resistance among the first-line antibiotics.

Methods:
Methylation is one of the main mechanisms through which bacteria develop resistance, hence
targeting methyltransferases provides the opportunity to achieve two-birds-with-one-stone: a) antibiotic:
inhibiting the translation activity and b) anti-resistance: eliminating methylation as a mode of resistance.
Currently, no known drugs or lead molecules are targeting the methyltransferases, in general, and rRNA
Small Subunit Methyltransferase D (RsmD) family, in particular, in M.tb species.

Results and Discussion:
S-Adenosyl-L-methionine(SAM) is known as the universal donor of a methyl
group which is an indispensable cofactor for the proper functioning of SAM-dependent methyltransferases.
This in silico study attempts to design and develop novel SAM-analog inhibitors against RsmD, which
in turn affects the growth and survival of M.tb in TB patients. The SAM-analogs were designed, after careful
study and analysis of RsmD pharmacophore and SAM binding properties. The functional groups such as
amide, amine, acetamide, formamide, hydroxyl, fluorine, iodine, and bromine were used to design novel
analogs with the aim to improve the binding of analog with RsmD. The analogs that gave better docking
scores followed by favourable binding affinities and ADMET properties than native SAM were ranked.

Conclusion:
Among the library of SAM analogs, the top two analogs with IDs: SAM_172 and SAM_153
need testing and validation for their efficacy through in vitro and in vivo studies.
Multi-Targeted Molecular Docking and Drug-Likeness Evaluation of some
Nitrogen Heterocyclic Compounds Targeting Proteins Involved in the
Development of COVID-19
Authors: Ravichandran Veerasamy , Hui Lok Yong , Mun Chan Sook , Sing Lai Cong , Rajak Harish , Karunakaran Rohini 
Published: June 2022

Background:
The severe acute respiratory syndrome coronavirus-2 is causing a disaster
through coronavirus disease-19 (COVID-19), affecting the world population with a high mortality
rate. Although numerous scientific efforts have been made, we do not have any specific drug for
COVID-19 treatment.

Objective:
Aim of the present study was to analyse the molecular interaction of nitrogen
heterocyclic based drugs (hydroxychloroquine, remdesivir and lomefloxacin) with various SARSCoV-
2 proteins (RdRp, PLPro, Mpro and spike proteins) using a molecular docking approach.

Methods:
We have performed docking study using PyRx software, and Discovery Studio Visualizer
was used to visualise the molecular interactions. The designed nitrogen heterocyclic analogues were
checked for Lipinski’s rule of five, Veber's Law and Adsorption, Distribution, Metabolism, and
Excretion (ADME) threshold. After obtaining the docking results of existing nitrogen heterocyclic
drugs, we modified the selected drugs to get molecules with better affinity against SARS-CoV-2.

Results:
Hydroxychloroquine bound to RdRp, spike protein, PLPro and Mpro at -5.2, -5.1, -6.7 and
-6.0 kcal/mol, while remdesivir bound to RdRp, spike protein, PLPro, and Mpro at -6.1, -6.9, -6.4
and -6.9 kcal/mol, respectively. Lomefloxacin bound to RdRp, spike protein, PLPro and Pro at -6.4,
-6.6, -7.2 and -6.9 kcal/mol. ADME studies of all these compounds indicated lipophilicity and high
gastro intestine absorbability. The modified drug structures possess better binding efficacy towards
at least one target than their parent compounds.

Conclusion:
The outcome reveals that the designed nitrogen heterocyclics could contribute to developing
the potent inhibitory drug SARS-CoV-2 with strong multi-targeted inhibition ability and
reactivity
Recent Progress on Catalyst Supports for Propane Dehydrogenation
Authors: Wang Guangjian , Yin Chaoqun , Feng Fushan , Zhang Qinqin , Fu Haitao , Bing Liancheng , Wang Fang , Han Dezhi 
Published: June 2022

Background:
Propane dehydrogenation (PDH) is the most potential propylene production technology, which can make up the large gap in downstream products of propylene. The catalyst supports lay the foundation for the catalytic activity and stability of the prepared catalysts in PDH reactions. Therefore, we focus on the discussion of single oxides, composite oxides, zeolites, and carbon materials as supports to demonstrate the improvement of the catalytic performance of the PDH catalysts.

Methods:
Recent studies on catalyst supports are reviewed, including the preparation, characterization, and PDH performance.

Results:
The supports with different morphologies and crystal structures have been reported for PDH. The enhanced strong interaction between the support and metal components is responsible for the superior PDH performance.

Conclusions:
The PDH catalysts mainly depend on the development of the support with specific physicochemical properties for the corresponding PDH processes. Therefore, it is crucial to develop the optimal supports to improve the PDH performance in the area of nanoscience materials.