bluuebunny/crossref_metadata_2025 huggingface dataset:
SARS-CoV-2 viral variants can rapidly be identified for clinical decision making and population surveillance using a high-throughput digital droplet PCR assay
Authors: Pernet Olivier , Weisenhaus Maia , Stafylis Chrysovalantis , Williams Christopher , Campan Mihaela , Pettersson Jonas , Green Nicole , Lee David M. , Thomas Paul D. , Ward Pamela , Hu Howard , Klausner Jeffrey D. , Kovacs Andrea A. Z. ,   the U. S. C. Variant Study Group, Hernandez-Tamayo Cassidy , Van Orman Sarah , Gilliland Frank , Conti David , Ghanem-Uzqueda Angie , Yepez Daniel , Stellar Sofia , Tadanki Aditya P. , Max Jillian , Fottrell Honour , Ong Ethan , Navarro Sabrina , Moses Kaelyn , Akaolisa Michael , Hosseini Bijan , Sunesara Shaleen , Wang Yuzhu , Zaw Andrew , Strum Earl , Casagrande Yolee , Hernandez-Rodriguez Nathalie , Thomas Paul , Chu Tara , Emerson Jane
Published: May 2023

Epidemiologic surveillance of circulating SARS-CoV-2 variants is essential to assess impact on clinical outcomes and vaccine efficacy. Whole genome sequencing (WGS), the gold-standard to identify variants, requires significant infrastructure and expertise. We developed a digital droplet polymerase chain reaction (ddPCR) assay that can rapidly identify circulating variants of concern/interest (VOC/VOI) using variant-specific mutation combinations in the Spike gene. To validate the assay, 800 saliva samples known to be SARS-CoV-2 positive by RT-PCR were used. During the study (July 2020-March 2022) the assay was easily adaptable to identify not only existing circulating VAC/VOI, but all new variants as they evolved. The assay can discriminate nine variants (Alpha, Beta, Gamma, Delta, Eta, Epsilon, Lambda, Mu, and Omicron) and sub-lineages (Delta 417N, Omicron BA.1, BA.2). Sequence analyses confirmed variant type for 124/124 samples tested. This ddPCR assay is an inexpensive, sensitive, high-throughput assay that can easily be adapted as new variants are identified.
Numerical study and experimental validation of the size effect of smooth and mode I cracked semi-circular bend specimens
Authors: Mousa Saeed , Mutnbak Mohammed , Saba Abd-Allah M. , Abd-Elhady Amr A. , Sallam Hossam El-Din M.
Published: May 2023

The edge-cracked semi-circular bend (SCB) specimen subjected to three-point bending loading is used in many applications to measure the fracture behavior of quasi-brittle materials. The main objective of the present work was to study the effect of the crack length to SCB specimen radius ratio (a/R), span to specimen diameter ratio (S/D), and specimen size on its flexural and mode I crack growth behavior. The contour integral method was implemented using the 3-D finite element method to determine the mode I stress intensity factor. In addition, high-strength concrete specimens were experimentally studied to validate the numerical results. The results show that the maximum compression stress is not sensitive to the S/D value, while the tensile stress is very sensitive. The value of S/D is the main parameter controlling the crack driving force (i.e., the crack mouth opening displacement (CMOD) and the normalized stress intensity factor, YI). For the same S/D, the SCB specimen diameter value change has a marginal effect on CMOD and YI. The specimen with S/D = 0.8 showed that it is the most compatible specimen with three-point bending test conditions, regardless of the SCB specimen size. A good agreement between the numerical and experimental results was achieved.
A deep-learning framework for spray pattern segmentation and estimation in agricultural spraying systems
Authors: Acharya Praneel , Burgers Travis , Nguyen Kim-Doang
Published: May 2023

This work focuses on leveraging deep learning for agricultural applications, especially for spray pattern segmentation and spray cone angle estimation. These two characteristics are important to understanding the sprayer system such as nozzles used in agriculture. The core of this work includes three deep-learning convolution-based models. These models are trained and their performances are compared. After the best model is selected based on its performance, it is used for spray region segmentation and spray cone angle estimation. The output from the selected model provides a binary image representing the spray region. This binary image is further processed using image processing to estimate the spray cone angle. The validation process is designed to compare results obtained from this work with manual measurements.
Analysis of biofilm and bacterial communities in the towel environment with daily use
Authors: Kato Haruro , Okino Nagisa , Kijitori Hiroki , Izawa Yoshifumi , Wada Yasunao , Maki Masataka , Yamamoto Takako , Yano Takehisa
Published: May 2023

Towels differ remarkably from other textile products in their fibre structure and usage, and microbial behaviours on towels remain underexplored. Thus, we evaluated biofilm formation on towels during use for 6 months in daily life and analysed its relationship with odour, dullness, and laundry habits. The towels exhibited odour and dullness after 2 months of use and biofilm structures were observed over the 6 months, especially in the ground warp part. Polysaccharides, proteins, nucleic acids, and viable counts on the towels increased over time. The microbiota was significantly different from that on human skin and clothing. Several species of Alphaproteobacteria were correlated with dullness intensity and the quantity of biofilm components. Therefore, bacterial species that specifically adapt to the towel fibre environment could form biofilms. Our results demonstrate bacterial diversity in textile products and suggest careful consideration of the textile fibre material, structure, and usage pattern to control bacterial communities.
Effects of exogenous glycine betaine and cycloleucine on photosynthetic capacity, amino acid composition, and hormone metabolism in Solanum melongena L.
Authors: Niu Tianhang , Zhang Jing , Li Jing , Gao Xiaoping , Ma Hongyan , Gao Yanqiang , Chang Youlin , Xie Jianming
Published: May 2023

Although exogenous glycine betaine (GB) and cycloleucine (Cyc) have been reported to affect animal cell metabolism, their effects on plant growth and development have not been studied extensively. Different concentrations of exogenous glycine betaine (20, 40, and 60 mmol L−1) and cycloleucine (10, 20, and 40 mmol L−1), with 0 mmol L−1 as control, were used to investigate the effects of foliar spraying of betaine and cycloleucine on growth, photosynthesis, chlorophyll fluorescence, Calvin cycle pathway, abaxial leaf burr morphology, endogenous hormones, and amino acid content in eggplant. We found that 40 mmol L−1 glycine betaine had the best effect on plant growth and development; it increased the fresh and dry weight of plants, increased the density of abaxial leaf hairs, increased the net photosynthetic rate and Calvin cycle key enzyme activity of leaves, had an elevating effect on chlorophyll fluorescence parameters, increased endogenous indoleacetic acid (IAA) content and decreased abscisic acid (ABA) content, and increased glutamate, serine, aspartate, and phenylalanine contents. However, cycloleucine significantly inhibited plant growth; plant apical dominance disappeared, plant height and dry and fresh weights decreased significantly, the development of abaxial leaf hairs was hindered, the net photosynthetic rate and Calvin cycle key enzyme activities were inhibited, the endogenous hormones IAA and ABA content decreased, and the conversion and utilization of glutamate, arginine, threonine, and glycine were affected. Combined with the experimental results and plant growth phenotypes, 20 mmol L−1 cycloleucine significantly inhibited plant growth. In conclusion, 40 mmol L−1 glycine betaine and 20 mmol L−1 cycloleucine had different regulatory effects on plant growth and development.
Unsupervised learning for prognostic validity in patients with chronic pain in transdisciplinary pain care
Authors: Strigo Irina A. , Simmons Alan N. , Giebler Jameson , Schilling Jan M. , Moeller-Bertram Tobias
Published: May 2023

Chronic pain is not a singular disorder and presents in various forms and phenotypes. Here we show data from a cohort of patients seeking treatment in a transdisciplinary pain clinic. Patients completed a multidimensional patient-reported battery as part of routine initial evaluation at baseline and at each of the four subsequent visits over 1-year follow-up (0, 1, 3, 6, 12 months). The goal of this work was to use unsupervised modeling approach to identify whether patients with chronic pain undergoing transdisciplinary intensive rehabilitation treatment: (1) can be derived based upon self-reported outcome measures at baseline (or before treatment initiation), (2) are clinically validated based on their clinical diagnosis and medication use, and (3) differ in treatment trajectories over 1 year of transdisciplinary treatment. We applied unsupervised clustering on baseline outcomes using nine patient-reported symptoms and examined treatment trajectories. The three-cluster solution was internally validated. Psychiatric diagnosis, chronic back pain-related disability and symptoms severity determined cluster assignment and treatment prognosis. Conversely, clinical pain severity had lesser effect. Furthermore, clusters showed stability over time despite symptoms improvement. The accurate and meaningful subgrouping of the underlying chronic pain phenotypes would greatly enhance treatment and provide personalized and effective pain management.
Associations between circulating microRNAs and lipid-rich coronary plaques measured with near-infrared spectroscopy
Authors: Sæther Julie Caroline , Vesterbekkmo Elisabeth Kleivhaug , Taraldsen Maria Dalen , Gigante Bruna , Follestad Turid , Røsjø Helge Rørvik , Omland Torbjørn , Wiseth Rune , Madssen Erik , Bye Anja
Published: May 2023

Lipid-rich coronary atherosclerotic plaques often cause myocardial infarction (MI), and circulating biomarkers that reflect lipid content may predict risk of MI. We investigated the association between circulating microRNAs (miRs) are lipid-rich coronary plaques in 47 statin-treated patients (44 males) with stable coronary artery disease undergoing percutaneous coronary intervention. We assessed lipid content in non-culprit coronary artery lesions with near-infrared spectroscopy and selected the 4 mm segment with the highest measured lipid core burden index (maxLCBI4mm). Lipid-rich plaques were predefined as a lesion with maxLCBI4mm ≥ 324.7. We analyzed 177 circulating miRs with quantitative polymerase chain reaction in plasma samples. The associations between miRs and lipid-rich plaques were analyzed with elastic net. miR-133b was the miR most strongly associated with lipid-rich coronary plaques, with an estimated 18% increase in odds of lipid-rich plaques per unit increase in miR-133b. Assessing the uncertainty by bootstrapping, miR-133b was present in 82.6% of the resampled dataset. Inclusion of established cardiovascular risk factors did not attenuate the association. No evidence was found for an association between the other analyzed miRs and lipid-rich coronary plaques. Even though the evidence for an association was modest, miR-133b could be a potential biomarker of vulnerable coronary plaques and risk of future MI. However, the prognostic value and clinical relevance of miR-133b needs to be assessed in larger cohorts.
Effects of whole-body vibration warm-up on subsequent jumping and running performance
Authors: Ewertowska Paulina , Świtała Katarzyna , Grzyb Wojciech , Urbański Robert , Aschenbrenner Piotr , Krzysztofik Michał
Published: May 2023

The aim of this study was to examine whether acute whole-body vibration, a single bout of drop jumps, or a combination of both may enhance countermovement jump (CMJ) and would affect volitional pace 3 km running performance. Twelve healthy and recreationally active males completed 4 conditions in randomized order: (i) 5 sets of 30 s calf raises on the platform but without vibration; (ii) 5 sets of 30 s calf raises on the vibration platform with 30 s rest intervals between sets; (iii) 5 sets of 6 drop jump with a 30 s rest interval between sets; (iv) 5 sets of 30 s calf raises on the vibration platform followed by 6 drop jumps with a 30 s rest interval between sets. Before, 3-min after, and immediately after a 3 km run each participant performed CMJ. No significant difference between conditions (p = 0.327) for the 3 km time trial was found. Whereas CMJ height and relative peak power were significantly improved in post-3 km run than at baseline (p < 0.001 and p = 0.025) and post-warm-up (p = 0.001 and p = 0.002) in all conditions. The present study indicates that warm-up consisting of either whole-body vibration, drop jumps, or a combination of both failed to acutely improve CMJ and 3 km volitional pace running performance in physically active males. However, the increase in the CMJ performance was noted after the end of the 3 km run, which may indicate that the warm-up protocols used were insufficient to enhance subsequent performance.
Reduced mitophagy is an early feature of NAFLD and liver-specific PARKIN knockout hastens the onset of steatosis, inflammation and fibrosis
Authors: Undamatla R. , Fagunloye O. G. , Chen J. , Edmunds L. R. , Murali A. , Mills A. , Xie B. , Pangburn M. M. , Sipula I. , Gibson G. , St. Croix C. , Jurczak M. J.
Published: May 2023

Nonalcoholic fatty liver disease (NAFLD) encompasses a spectrum of pathologies that includes steatosis, steatohepatitis (NASH) and fibrosis and is strongly associated with insulin resistance and type 2 diabetes. Changes in mitochondrial function are implicated in the pathogenesis of NAFLD, particularly in the transition from steatosis to NASH. Mitophagy is a mitochondrial quality control mechanism that allows for the selective removal of damaged mitochondria from the cell via the autophagy pathway. While past work demonstrated a negative association between liver fat content and rates of mitophagy, when changes in mitophagy occur during the pathogenesis of NAFLD and whether such changes contribute to the primary endpoints associated with the disease are currently poorly defined. We therefore undertook the studies described here to establish when alterations in mitophagy occur during the pathogenesis of NAFLD, as well as to determine the effects of genetic inhibition of mitophagy via conditional deletion of a key mitophagy regulator, PARKIN, on the development of steatosis, insulin resistance, inflammation and fibrosis. We find that loss of mitophagy occurs early in the pathogenesis of NAFLD and that loss of PARKIN accelerates the onset of key NAFLD disease features. These observations suggest that loss of mitochondrial quality control in response to nutritional stress may contribute to mitochondrial dysfunction and the pathogenesis of NAFLD.
The legacy of one hundred years of climate change for organic carbon stocks in global agricultural topsoils
Authors: Poeplau Christopher , Dechow Rene
Published: May 2023

Soil organic carbon (SOC) of agricultural soils is observed to decline in many parts of the world. Understanding the reasons behind such losses is important for SOC accounting and formulating climate mitigation strategies. Disentangling the impact of last century’s climate change from effects of preceding land use, management changes and erosion is difficult and most likely impossible to address in observations outside of warming experiments. However, the record of last century’s climate change is available for every part of the globe, so the potential effect of climate change on SOC stocks can be modelled. In this study, an established and validated FAO framework was used to model global agricultural topsoil (0–30 cm) SOC stock dynamics from 1919 to 2018 as attributable to climate change. On average, global agricultural topsoils could have lost 2.5 ± 2.3 Mg C ha−1 (3.9 ± 5.4%) with constant net primary production (NPP) or 1.6 ± 3.4 Mg C ha−1 (2.5 ± 5.5%) when NPP was considered to be modified by temperature and precipitation. Regional variability could be explained by the complex patterns of changes in temperature and moisture, as well as initial SOC stocks. However, small average SOC losses have been an intrinsic and persistent feature of climate change in all climatic zones. This needs to be taken into consideration in reporting or accounting frameworks and halted in order to mitigate climate change and secure soil health.
Agricultural Applications of Activated Carbon
Authors: El-sayed Mohamed E. A. , Ayoub Haytham A. , Abdelhafeez Islam A.
Published: May 2023

Maximizing the utilization of renewable and natural resources for multidisciplinary applications is in line with the sustainable development goals. Recently, activated carbon (AC) has been widely reported in various applications including environmental, energy, medical, and engineering applications, due to its very high surface area, strong adsorption capacity, and rich surface functional groups. In this chapter, we will comprehensively highlight the recent developments of and findings on the applications of AC in the field of agriculture. Besides that, it will shed light on the different agricultural applications of AC such as fertilization, environmental, and sensing applications. The current challenges and future applications of AC towards sustainable agriculture will be also discussed.
Advanced Applications of Activated Carbon: Catalysis and Engineering
Authors: Fazli-Ku M. S. F. , Tye C. T.
Published: May 2023

Activated carbon (AC) is a porous carbonaceous material with distinct physical and chemical properties that has widespread use in a variety of applications. In recent years, AC has been explored and has become more popular as a catalyst or catalyst support in various reactions. The surface area, porosity, and surface chemistry of ACs are appropriate for consideration in catalysis applications. The procedures used in the synthesis of AC, such as precursor selection, carbonization, and physical or chemical activation, have a direct impact on the properties of the resulting AC. The properties can be enhanced with surface modifications to improve its catalytic activity. This work covers the recent use of AC as the catalyst in several reactions, as well as methods investigated to improve the AC properties for catalytic performance. This chapter could serve as a guideline for understanding the properties and application of AC-based catalysts.
From mouth to gut: microfluidic in vitro simulation of human gastro-intestinal digestion and intestinal permeability
Authors: Xavier Miguel , Rodrigues Patrícia M. , Neto Mafalda D. , Guedes Maria I. , Calero Victor , Pastrana Lorenzo , Gonçalves Catarina
Published: May 2023

We present a novel microfluidic platform combining a Digestion-Chip and a Gut-Chip. The setup is able to simulate digestion and test digested samples in the cell-based Gut-Chip to evaluate intestinal permeability without compromising cell viability.
Efficient quasi-classical trajectory calculations by means of neural operator architectures
Authors: Priyadarshini Maitreyee Sharma , Venturi Simone , Zanardi Ivan , Panesi Marco
Published: May 2023

Novel methodology developed to use neural operators in estimating state-to-state chemical kinetics.
New perspectives on the multianion approach to adapt electrode materials for lithium and post-lithium batteries
Authors: Pérez-Vicente Carlos , Alcántara Ricardo
Published: May 2023

A cation coordinated by several anions changes the energy of materials and their electrochemical properties.
Frontally polymerized foams: thermodynamic and kinetical aspects of front hindrance by particles
Authors: Lepcio Petr , Daguerre-Bradford John , Cristadoro Anna Maria , Schuette Markus , Lesser Alan J.
Published: May 2023

Reduced reaction enthalpy due to particles’ non-reactive volume is balanced by lower heat capacity. Front propagation is hindered by slowed curing kinetics.
Gold nanoparticle probes for colorimetric detection of plasma galectin-3: a simple and rapid approach
Authors: António Maria , Lima Tânia , Ferreira Rita , Fardilha Margarida , Bastos José Mesquita , Vitorino Rui , Daniel-da-Silva Ana L.
Published: May 2023

First colorimetric and low-cost approach for detecting and quantifying galectin-3 using gold nanoparticles (AuNPs) bioconjugated with Gal-3 antibody.
Ambient mass spectrometry and near-infrared spectroscopy – a direct comparison of methods for the quantification of sucralose in e-liquids
Authors: Schlappack Tobias , Kappacher Christoph , Demetz Michela , Jakschitz Thomas , Bonn Günther K. , Huck Christian W. , Rainer Matthias
Published: May 2023

E-liquids have become increasingly popular in society in recent years. Therefore, there is great interest in the development of new analysis methods such as ambient-MS or NIR that enable reliable, fast and cost-effective analysis of e-liquids.
An intelligent extraction approach of feature information from three-dimensional DAD chromatogram for integrated quality control of traditional Chinese medicines: Gardenia jasminoides root as an example
Authors: Zhang Hui , Liu Xiaoyi , Chen Yuan , Bai Rui , Zhang Hongxu , Pan Yixia , Zhu Jieqiang , Yan Jizhong
Published: May 2023

An intelligently and globally extracting feature information method, different from a multi-wavelength fusion method, is used in HPLC-DAD chromatography. It combined with chemometrics is suitable for quality control of traditional Chinese medicines.
A guide to functionalisation and bioconjugation strategies to surface-initiated polymer brushes
Authors: Neri-Cruz Carlos Eduardo , Teixeira Franciane Mouradian Emidio , Gautrot Julien E.
Published: May 2023

This review presents recent advances in surface initiated polymer brush functionalisation, as a guide for the design of functional interfaces.
Direct electrochemical synthesis of quinones from simple aromatics and heteroaromatics
Authors: Zhang Ling , Fu Youtian , Yang Lei , Cao Liming , Yi Junjun , Sun Maolin , Cheng Ruihua , Ma Yueyue , Ye Jinxing
Published: May 2023

An electrochemical protocol for the direct oxidation of both arenes and heteroarenes to quinones under mild conditions was developed.
Germanium photopatterning via poly(cyclogermapentene)s
Authors: Medroa del Pino William , Ferero Pico Andres A. , Gupta Manisha , Rivard Eric
Published: May 2023

A series of air-stable poly(cyclogermapentene)s were prepared via the dehydrocoupling of 1,1-dihydrocyclogermapentene monomers.
Reusable electrochemiluminescence biosensor based on tetrahedral DNA signal amplification for ultrasensitive detection of microRNAs
Authors: Zhang Jingjing , Zhu Jingfeng , Guo Fenglian , Jiang Jinke , Xie Mo , Hao Lin , Chao Jie
Published: May 2023

An efficient, simple and reusable electrochemiluminescence biosensor was constructed based on a NiFe-LDH@AuNPs composite material and tetrahedral DNA nanostructure probe for highly sensitive detection of miRNA.
Novel E-mode GaN high-electron-mobility field-effect transistor with a superlattice barrier doped with Mg by thermal diffusion
Authors: Xing Zhiheng , Sun Peiye , Wu Nengtao , Li Shanjie , Luo Ling , Zeng Fanyi , Li Guoqiang
Published: May 2023

A novel E-mode GaN high-electron-mobility field-effect transistor with a superlattice barrier doped with Mg by thermal diffusion. This strategy can provide new ideas for the commercialisation of E-mode devices.
Crystal engineering of SAPO-11 sieves by forming intermediate phases
Authors: Agliullin Marat R. , Arzumanov Sergei S. , Gerasimov Evgeny Yu. , Grigorieva Nellya G. , Bikbaeva Vera R. , Serebrennikov Dmitry V. , Khalilov Leonard M. , Kutepov Boris I.
Published: May 2023

New opportunities to control the morphology and size of SAPO-11 molecular sieve crystals through the preliminary formation of intermediate phases.
Height-dependent oscillatory motion of a plastic cup with a camphor disk floated on water
Authors: Fujita Risa , Takayama Nami , Matsuo Muneyuki , Iima Makoto , Nakata Satoshi
Published: May 2023

We have developed a self-propelled object, which is composed of a plastic cup and a camphor disk, on water to reflect its three-dimensional shape in the nature of motion.
Silicon/nickel oxide core/shell nanospheres as a hole transport layer for high efficiency and light-stable perovskite solar cells
Authors: Zhai Jifeng , Yin Xin , Xiong Jie , Du Pingfan , Chen Wei-Hsiang , Song Lixin
Published: May 2023

A core–shell structure material of silicon/nickel oxide nanosheets provides huge potential for high efficiency and long-term stability of metal halide perovskite solar cells.
Single atom supported on MXenes for the alkaline hydrogen evolution reaction: species, coordination environment, and action mechanism
Authors: Sun Zijun , Li Rui , Xi Qing , Xie Fangxia , Jian Xuan , Gao Xiaoming , Li Houfen , Yu Zhuobin , Liu Jianxin , Zhang Xiaochao , Wang Yawen , Wang Yunfang , Yue Xiuping , Fan Caimei
Published: May 2023

The efficient alkaline hydrogen evolution reaction on RuS–Mo2Ti2C3O2is achieved by the synergistic effect of Mo2Ti2C3O2and atomic state Ru.
Solid-state emitters presenting a modular excited-state proton transfer (ESIPT) process: recent advances in dual-state emission and lasing applications
Authors: Durko-Maciag Martyna , Ulrich Gilles , Jacquemin Denis , Mysliwiec Jaroslaw , Massue Julien
Published: May 2023

This review aims at providing a broad readership about recent advances in the fields of dual solution-solid emitters and lasing applications based on organic dyes displaying an excited-state intramolecular proton transfer (ESIPT) process.
Lithium storage performance enhanced by lithiation-induced structural phase transitions of fluorinated MXenes
Authors: Wu Qinghua , Wang Zhe , Hu Qianku , Ji Yuhuan , Li Dandan , Wang Junkai , Xia Qixun , Wang Libo , Zhou Aiguo
Published: May 2023

Fluorine atoms on MXene surface will migrate during lithiation and various lithium storage structures will form with lithium increasing.
On the nature of inter-anion coinage bonds
Authors: Li Jiayao , Feng Qiuyan , Wang Changwei , Mo Yirong
Published: May 2023

To explore the binding energy profiles and elucidate the bonding nature in counter-intuitive anion⋯anion coinage bonds (CiBs), thirty-one complexes were constructed, and the inter-anion CiBs were studied theoretically.
P-Centred redox reactions of a 1,4-dihydro-1,4-phosphasiline
Authors: Ramachandran Mridhul R. K. , Brehm Philipp C. , Schnakenburg Gregor , Sasamori Takahiro , Boeré René T. , Streubel Rainer
Published: May 2023

Synthesis of a new tricyclic 1,4-dihydro-1,4-phosphasiline is described, including the selective reduction of the P atom to form the novel P-anionic derivative. Its redox chemistry is investigated via cyclic voltammetry analysis and DFT studies.
Oxidation-induced C–H bond activation in iridium pincer complexes
Authors: Polukeev Alexey V. , Tasić Magdalena
Published: May 2023

An oxidation-induced intramolecular C–H activation in POCOP and PCP-ligated iridium pincer complexes is reported. A possible mechanism is discussed with the help of an electrochemical study and DFT calculations.
Preparation and characterization of nanostructured Fe-doped CoTe2 electrocatalysts for the oxygen evolution reaction
Authors: Yang Zhi , Tan Hao , Qi Yu , Ma Shiyu , Bai Jilin , Liu Lifeng , Xiong Dehua
Published: May 2023

Co foam supported nanostructured Fe-doped CoTe2 electrocatalysts were prepared by a one-step hydrothermal method; the superior OER performance of Fe-doped CoTe2 can be attributed to the 3D porous structure and the synergistic effect of Co and Fe elements.
Edible and medicinal mushrooms (Pleurotus ostreatus, Ustilago maydis, Ganoderma lucidum) reduce endoplasmic reticulum stress and inflammation in adipose tissue of obese Wistar rats fed with a high fat plus saccharose diet
Authors: González-Ibáñez Laura , Meneses María E. , Sánchez-Tapia Mónica , Pérez-Luna Daniel , Torres Nimbe , Torre-Villalvazo Iván , Bonilla Myrna , Petlacalco Beatriz , Castillo Ivan , López-Barradas Adriana , Macías Antonio , Tovar Armando R. , Martínez-Carrera Daniel
Published: May 2023

Edible and medicinal mushrooms reduce endoplasmic reticulum stress and inflammation in adipose tissue of obese Wistar rats fed with a high fat plus saccharose diet.
Efficient dimerization of perfluoroolefin with strong nucleophilic ionic liquid catalysts by adjusting the interaction of anions and cations
Authors: Huang Shiqi , Meng Xianglei , Gao Yanzhao , Liu Minmin , Zhang Junjie , Zhou Yu , Song Yuting , Diao Yanyan
Published: May 2023

Ionic liquids, as an efficient nucleophilic catalyst, is used for the first time in the dimerization of perfluoroolefin, and further promotes the greening of fluorochemical reactions.
Enabling batch and microfluidic non-thermal plasma chemistry: reactor design and testing
Authors: Roszkowska P. , Dickenson A. , Higham J. E. , Easun T. L. , Walsh J. L. , Slater A. G.
Published: May 2023

A microfluidic plasma jet reactor equipped with optical emission spectroscopy: benchmarking investigations for the fundamentals of non-thermal plasma chemistry.
Order–disorder engineering of RuO2nanosheets towards pH-universal oxygen evolution
Authors: Zhang Yu , Zhang Yuefeng , Zeng Zhiyuan , Ho Derek
Published: May 2023

An amorphous–crystalline structure is utilized to suppress Ru leaching from the crystalline RuO2phase and simultaneously reduce the energy barrier of oxygen evolution.
Switching magnetic strip orientation using electric fields
Authors: Chen Aitian , Piao Hong-Guang , Zhang Chenhui , Ma Xiao-Ping , Algaidi Hanin , Ma Yinchang , Li Yan , Zheng Dongxing , Qiu Ziqiang , Zhang Xi-Xiang
Published: May 2023

The ordered magnetic strip domains in Ni films are switched between the y- and x-axes driven by electric-field due to electric-field-modulated in-plane magnetic anisotropies via strain-mediated magnetoelectric coupling.
Theoretical investigations on the chiral transition of Cu(ii) chelated by bis-α-alanine in the aqueous-liquid phase
Authors: Jiang Chunxu , Tan Yong , Wang Tingting , Wang Zuocheng , Peng Guoqiang , Hao Chengxin , Zhao Lihong
Published: May 2023

The chiral enantiomeric transition of bis-α-alanine chelated Cu(ii) complexes (α-Ala)2-Cu(ii) was investigated for the first time using the M06 and MN15 methods combined with the SMD model approach.
Industrial basalt fiber-loaded CuNi for the continuous synthesis of DMC from CO2 and methanol
Authors: Luo Li , Deng Jie , Wang Yingying , Tang Qiang , Hou Mengyue , Zhang Ziyue , Lu Shijian , Chen Yongdong
Published: May 2023

CuNi/BF-N monolithic catalyst catalyzesthe synthesis of DMC from CO2 and CH3OH.
Optimization of the NH2-UiO-66@MoS2 heterostructure for enhanced photocatalytic hydrogen evolution performance
Authors: Ren Zenghuan , Zhang Xinghao , Shi Xiaofan , Yang Di , Yu Mei-Hui , Zheng Wenjun , Zhang Jijie
Published: May 2023

The chemical connected heterojunction endows optimized interface to improve the photogenerated carriers separation efficiency, which can enhance the photocatalytic hydrogen evolution rate than physical heterojunction.
A distorted octahedron-dependent red-emitting Li2K4TiOGe4O12:Mn4+ phosphor for white LEDs
Authors: Wu Haiyan , Zhu Guang , Zhang Jian , Xie Hui , Tan Tao , Gao Yan , Jiang Lihong , Li Chengyu , Zhang Hongjie
Published: May 2023

A novel red-emitting Li2K4TiOGe4O12:Mn4+ (LKTGO) phosphor for w-LEDs based on Mn4+ was introduced into LKTGO with distorted octahedral crystallographic sites.
Highly efficient Ni–Mn/SiO2catalyst for the selective hydrogenation of biomass-derived levulinic acid to γ-valerolactone under mild conditions
Authors: Chen Mengting , Zhong Qifeng , Ma Jiao , Zhang Zhiyang , Liu Yingxin , Wei Zuojun , Deng Shuguang
Published: May 2023

Herein, we report a highly efficient non-noble bimetallic Ni–Mn/SiO2catalyst for the selective hydrogenation of biomass-derived levulinic acid to γ-valerolactone under mild reaction conditions.
Catalytic hydrosilylation using an immobilized Co-terpyridine complex activated by inorganic salts and its application in a flow reactor
Authors: Kobayashi Katsuaki , Fukaya Norihisa , Nakazawa Hiroshi
Published: May 2023

The Co-terpyridine complex immobilized on silica gel works as a reusable hydrosilylation catalyst under K2CO3activation. This setup can be applicable to a continuous flow reactor system.
A deep learning framework for predictions of excited state properties of light emissive molecules
Authors: Tan Zheng , Li Yan , Zhang Ziying , Penfold Thomas , Shi Weimei , Yang Shiqing , Zhang Wanli
Published: May 2023

We have proposed a deep learning protocol to effectively forecast the electronic transition properties of delayed fluorescence molecules, and achieved a significant predictive accuracy when the torsional profile of the dataset is enriched.
Rapid synthesis of MnS/NiCo-LDH heterostructures for high-performance supercapacitors
Authors: Cao Xiaochen , Yuan Meini , Ding Congming , Tang Xuebin
Published: May 2023

With a more compact structure and better electrochemical performance, MnS/NiCo-LDH is more suitable as an electrode material for supercapacitors.
Machine learning the peak emission wavelength of Mn4+-activated inorganic phosphors
Authors: Ding Cong , Li Zhongfa , Zhang Wenjun , Ou Jun , Wen Xue , Xin Chengyue , Su Min
Published: May 2023

Predicting the peak emission wavelength of phosphors using machine learning and using “Clustering” to summarize the rule between the emission wavelength and the host.
Promoting solution-phase superlattices of CsPbBr3 nanocrystals
Authors: Mireles Villegas Noel , Hernandez Josue C. , John Joshua C. , Sheldon Matthew
Published: May 2023

Efficient inter-particle coupling interactions in solution-phase CsPbBr3 superlattices give rise to enhanced optoelectronic properties.
A combined 3D-atomic/nanoscale comprehension and ab initio computation of iron carbide structures tailored in Q&P steels via Si alloying
Authors: Ghosh Sumit , Rakha Khushboo , Aravindh Sasikala Devi Assa , Reza Shahriar , Pallaspuro Sakari , Somani Mahesh , Huttula Marko , Kömi Jukka
Published: May 2023

The work provides in-depth multiscale characterization of iron carbide formation/transition during Q&P processing of steels with varying Si contents and related thermodynamics, clarifying competition with the precipitation of stabler iron carbides.
Exactly controlled linear CO liberation: an A- and B-ring simultaneously extended flavonol-based red fluorescent photoCORM
Authors: Zhang Yi , Sun Ying-Ji , Yu Chao , Li Yan-Qin
Published: May 2023

The first A/B-ring simultaneously extended-flavonol-based red fluorescent photoCORM Nbp-flaH can rapidly release precisely controlled linear CO triggered by visible/sun-light, and can be real-time imaged and tracked in situ in live HeLa cells.
Mechanochemical reactivity of a multimodal 2H-bis-naphthopyran mechanophore
Authors: Osler Skylar K. , McFadden Molly E. , Zeng Tian , Robb Maxwell J.
Published: May 2023

A 2H-bis-napthopyran (2H-BNP) mechanophore generates an unusually stable bis-merocyanine product upon mechanical activation.
Electro-catalytic multicomponent reaction toward asymmetrical biaryls through heteroarylation of in situ generated fused polycyclic heteroaromatics
Authors: Guan Wenjing , Hang Jinlin , Qiao Yaqi , Liu Chengkou , Yuan Chengcheng , Chen Jiawei , Qin Hong , Fang Zheng , Ji Dong , Guo Kai
Published: May 2023

A straightforward metal-, oxidant-free electrosynthesis of highly complex and asymmetrical biheterocyclics through arylation of in situ generated fused polycyclics was developed.
Headspace solid-phase microextraction comprehensive 2D gas chromatography-time of flight mass spectrometry (HS-SPME-GC × GC-TOFMS) for origin traceability of the genus Hymenaea resinites
Authors: Su Xiaopeng , Yu Jing , Shi Zhaotong , Wang Yamei , Li Yan
Published: May 2023

Headspace SPME-GC × GC-TOFMS was used to analyze the volatile fraction of resinite. Marker molecules and PCA of VOCs’ aboundances allowed for distinction. To distinguish the different geographical origin of the genus Hymenaea resinite.
Conversion of 5-hydroxymethylfurfural to furan-2,5-dicarboxylic acid by a simple and metal-free catalytic system
Authors: Wang Xue , Guo Xinyuan , Wang Xinmei , Li Chi , Wang Shanjun , Li Han , Gao Yan’an , Li Yiying , Wang Jinhui , Xu Huanjun
Published: May 2023

A simple and metal-free catalytic system composed of NaOtBu/DMF efficiently converted 5-HMF to FDCA with an 80.85% yield. 5-HMF analogues and various types of alcohols were also transformed to corresponding acids in satisfactory to excellent yield.
Synthesis of 2,5-dimethylhexene by isobutene dimerization with H2S co-feeding
Authors: Watanabe Ryo , Tanikawa Riku , Kurosaki Arisa , Oshima Kazumasa , Kishida Masahiro , Verma Priyanka , Fukuhara Choji
Published: May 2023

The 2,5-dimethyl-1-hexene could be produced by dimerization of isobutene in the presence of hydrogen sulfide due to the generation of SH radicals.
Synthesis and characterization of ammonium-based protic ionic liquids for carbon dioxide absorption
Authors: Ab Rahim Asyraf Hanim , Yunus Normawati M. , Jaffar Zahirah , Allim Muhammad Faizadmesa , Othman Zailani Nurhidayah Zulakha , Mohd Fariddudin Shazri Amirah , Abd Ghani Noraini , Umar Mursyidah
Published: May 2023

A series of ammonium-based protic ionic liquids, APILs have been synthesized and characterized and their CO2 absorption capacity and potential recyclability have been determined for their potential usein the application of CO2 removal.
Effect of air bubbling on electroless Pd plating for the practical application of hydrogen selective membranes
Authors: Lee Eun-Han , Kim Tae-Woo , Byun Segi , Seo Doo-Won , Hwang Hyo-Jung , Yoon Hyung-Chul , Kim Hansung , Ryi Shin-Kun
Published: May 2023

In this study, an air bubbling electroless plating (ELP) method was newly developed for the production of Pd composite membranes.
Modification of Mg/Al-LDH by vanadate: effects on tribological properties and corrosion resistance
Authors: Ying Lixia , Wang Di , Nie Chongyang , Zhu Tianlin , Cao Fangping , Liu Ruxin , Wang Zhiyong
Published: May 2023

In this study, Mg/Al layered double hydroxide (LDH) composite coatings were prepared on the surface of anodized 1060 aluminum alloy by an in situ growth method, and then the vanadate anions were embedded in the interlayer corridor of LDH by an ion exchange process.
Deep insights to explain the mechanism of carbon dot formation at various reaction times using the hydrothermal technique: FT-IR, 13C-NMR, 1H-NMR, and UV-visible spectroscopic approaches
Authors: Mohammed Sewara J. , Omer Khalid M. , Hawaiz Farouq E.
Published: May 2023

The mechanism for synthesizing CDs remains unclear. This graphical abstract proposes a one-step hydrothermal method for CD formation from 4-aminoantipyrine, with varying reaction times. It illustrates the key steps involved in the synthesis process.
Environmental exposure and nanotoxicity of titanium dioxide nanoparticles in irrigation water with the flavonoid luteolin
Authors: Frazier Epicurioua A. , Patil Rajendra P. , Mane Chandrakant B. , Sanaei Daryoush , Asiri Fahad , Seo Seong S. , Sharifan Hamidreza
Published: May 2023

Luteolin is a susceptive anticancer flavonoid in many crops and rare medicinal plants that can be affected by exposure to TiO2 NPs in water systems.
The solvent effect on the morphology and molecular ordering of benzothiadiazole-based small molecule for inkjet-printed thin-film transistors
Authors: Trinh Cuc Kim , Oh Ha Som , Lee Hanleem
Published: May 2023

The effect of ratios of CHCl3 : toluene on film morphology and molecular arrangementviainkjet printing technology was investigated. The 3HTBTT-based inkjet-printed TFT using a CHCl3 : toluene ratio of 1.5 : 1 was successfully fabricated.
An ultrasensitive “mix-and-detect” kind of fluorescent biosensor for malaoxon detection using the AChE-ATCh-Ag-GO system
Authors: Alex. A Vinotha , Mukherjee Amitava
Published: May 2023

The developed AChE inhibition-based fluorescent biosensor using Ag-GO nanohybrid for malaoxon detection exhibits the lowest LOD and LOQ of 0.9 fM and 3 fM, respectively.
Energetic optimization of thermochemical air separation for the production of sustainable nitrogen
Authors: Klaas Lena , Bulfin Brendan , Kriechbaumer Dorottya , Neumann Nicole , Roeb Martin , Sattler Christian
Published: May 2023

Sustainable ammonia production requires fossil-free feedstocks such as high-purity nitrogen. The nitrogen can be produced efficiently in a two-stage process with a thermochemical cycle.
Regulation of the CRISPR-Cas12a system by methylation and demethylation of guide RNA
Authors: Hu Zhian , Sun Ao , Yang Jinlei , Naz Gul , Sun Gongwei , Li Zhengping , Gogo Liu Jun-Jie , Zhang Sichun , Zhang Xinrong
Published: May 2023

Methylation in the 5′ handle of gRNA disrupts the interaction between the Cas12a and gRNA. The deactivated CRISPR can be reactivated by demethylases, that enabled the development of biosensors and the precise regulation of gene expression.
Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer
Authors: Dhamija Avinash , Chandel Dolly , Rath Sankar Prasad
Published: May 2023

The work demonstrates unique chiral guest’s triggered spring-like contraction and extension motions coupled with unidirectional twisting upon successive coordination to a flexible and ‘nano-size’ achiral trizinc(ii)porphyrin trimer.
The application of the hierarchical approach for the construction of foldameric peptide self-assembled nanostructures
Authors: Szefczyk Monika , Szulc Natalia , Gąsior-Głogowska Marlena , Bystranowska Dominika , Żak Andrzej , Sikora Andrzej , Polańska Oliwia , Ożyhar Andrzej , Berlicki Łukasz
Published: May 2023

In this paper, we show that the outer positions of the coiled-coil structures are unequally prone to foldamerization.
A many-body dissipative particle dynamics parametrisation scheme to study behaviour at air–water interfaces
Authors: Hendrikse Rachel L. , Amador Carlos , Wilson Mark R.
Published: May 2023

The many-body dissipative particle dynamics parametrisation scheme developed in this work allows us to predict the surface tension and conformation of surfactants at air/water interfaces.
Membrane-controlled CO2 electrocatalysts with switchable C2 product selectivity and high faradaic efficiency for ethanol
Authors: Akter Tania , Barile Christopher J.
Published: May 2023

Membrane-modified Ag and Cu catalysts convert CO2 to ethanol with up to 72% faradaic efficiency.
Biomimetic porous cellular foam with space thermal domains for efficient uranium extraction from seawater
Authors: Xu Yachao , Zhu Jiahui , Zhang Hongsen , Liu Qi , Liu Jingyuan , Chen Rongrong , Yu Jing , Wang Jun
Published: May 2023

After 30 days of extraction in natural marine environment, the light-induced uranium extraction capacity of CPAO/CN from seawater reaches 5.86 mg g−1, which is 8.5 times that of CN.
Research development of porphyrin-based metal–organic frameworks: targeting modalities and cancer therapeutic applications
Authors: Jiang Xiang , Zhao Yuewu , Sun Shengkai , Xiang Ying , Yan Jincong , Wang Jine , Pei Renjun
Published: May 2023

Porphyrins are naturally occurring organic molecules that have attracted widespread attention for their potential in the field of biomedical research.
Bird pecking damage risk assessment of UHV transmission line composite insulators based on deep learning
Authors: Zhang Yujiao , Sun Hongda , Li Houxu , Qi Donglian , Yan Yunfeng , Chen Zhiwei , Huang Xiongfeng
Published: May 2023

Here, a method for assessing the risk of bird pecking damage of composite insulators in ultra high voltage (UHV) lines is proposed using electric field (E‐field) simulation and deep learning. The distribution of E‐field on composite insulators is analysed via numerical simulation for different damage locations and damage sizes. Then, using the defective images of composite insulator strings captured in real inspection environments, the corresponding annotation image data set is constructed according to the finite element calculation results of E‐field under different damage conditions, and through the application of the YOLOX deep learning neural network, the risk assessment of the damage caused by bird pecking of insulators for UHV lines is conducted. Furthermore, to prevent overfitting of YOLOX with small‐scale images, transfer learning, as well as data enhancement, are applied to the YOLOX training process. According to the results, the mean average precision (mAP) of the model is 0.79, indicating that it is capable of high accuracy recognition, provides guidance for operation and maintenance personnel.
Elastic and electron capture processes in slow He+–He collision
Authors: Wang Yu , Wang Feng , Lin Xiaohe , Liu Ling , Wu Yong , Wang Jianguo
Published: May 2023

Aims. The elastic and electron-capture processes of He+ ions with ground helium atoms are very important for studies in astrophysics. It is essential to have reliable state-selective charge transfer, elastic, and transport cross-sections, along with the corresponding reaction rate coefficient data, especially for low collision energies.

Methods. We investigated the elastic and non-radiative electron-capture processes in He+(1s)–He(1s2) collisions are investigated employing the full quantum-mechanical molecular orbital close-coupling method. The adopted ab initio adiabatic potentials and coupling matrix elements were obtained by a multi-reference single- and double-excitation configuration interaction approach.

Results. We computed the elastic, charge-transfer, and transport cross-sections in the energy range of 0.01–2500eVamu−1 and the reaction rate coefficient in the temperature range of 10–109 K. Good agreement was achieved when compared to the available experimental and theoretical results. Shape resonance, Regge, and Glory oscillations were also found in the elastic and charge transfer cross-sections in the energy region considered here.
Investigating the large-scale environment of wide-angle tailed radio galaxies in the local Universe
Authors: Missaglia V. , Paggi A. , Massaro F. , Capetti A. , Baldi R. D. , Kraft R. P. , Paolillo M. , Tramacere A. , Campana R. , Pillitteri I.
Published: May 2023

We present a statistical analysis of the large-scale (up to two Mpc) environment of a homogeneous and complete sample, both in radio and optical selection, of wide-angle tailed radio galaxies (WATs) in the local Universe (i.e., with redshifts z ≲ 0.15). The analysis is carried out using the parameters obtained from cosmological neighbors within two Mpc of the target source. Results regarding the large-scale environments of the WATs are then compared with those of Fanaroff–Riley type I (FR Is) and type II (FR IIs) radio galaxies listed in two other homogeneous and complete catalogs and selected with the same criterion adopted for the WATs catalog. We obtain indication that at low redshift, WATs inhabit environments with a larger number of galaxies than those of FR Is and FR IIs. In the explored redshift range, the physical size of the galaxy group or cluster in which the WATs reside appears to be almost constant with respect to FR Is and FR IIs, being around one Mpc. From the distribution of the concentration parameter, defined as the ratio between the number of cosmological neighbors lying within 500 kpc and within one Mpc, we conclude that WATs tend to inhabit the central region of the group or cluster in which they reside, in agreement with the general paradigm that WATs are the brightest cluster or group galaxy.