bluuebunny/crossref_metadata_2025 huggingface dataset:
Untangling the influence of biotic and abiotic factors on habitat selection by a tropical rodent
Authors: Ward-Fear Georgia , Brown Gregory P. , Pearson David , Shine Richard
Published: June 2021

Understanding how animal populations respond to environmental factors is critical because large-scale environmental processes (e.g., habitat fragmentation, climate change) are impacting ecosystems at unprecedented rates. On an overgrazed floodplain in north-western Australia, a native rodent (Pale Field Rat, Rattus tunneyi) constructs its burrows primarily beneath an invasive tree (Chinee Apple, Ziziphus mauritiana) rather than native trees. The dense thorny foliage of the Chinee Apple may allow high rat densities either because of abiotic effects (shade, in a very hot environment) or biotic processes (protection from trampling and soil compaction by feral horses, and/or predation). To distinguish between these hypotheses, we manipulated Chinee Apple foliage to modify biotic factors (access to horses and predators) but not shade levels. We surveyed the rat population with Elliott traps under treatment and control trees and in the open woodland, in two seasons (the breeding season—January, and the nesting season—May). In the breeding season, we ran giving-up density experiments (GUD) with food trays, to assess the perceived risk of predation by rats across our three treatments. Selective trimming of foliage did not affect thermal regimes underneath the trees but did allow ingress of horses and we observed two collapsed burrows as a consequence (although long term impacts of horses were not measured). The perceived predation risk also increased (GUD values at food trays increased) and was highest in the open woodland. Our manipulation resulted in a shift in rat sex ratios (indicating female preference for breeding under control but not foliage-trimmed trees) and influenced rat behaviour (giving-up densities increased; large dominant males inhabited the control but not treatment trees). Our data suggest that the primary benefit of the Chinee Apple tree to native rodents lies in physical protection from predators and (potentially) feral horses, rather than in providing cooler microhabitat.
Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures
Authors: Lütgert J. , Vorberger J. , Hartley N. J. , Voigt K. , Rödel M. , Schuster A. K. , Benuzzi-Mounaix A. , Brown S. , Cowan T. E. , Cunningham E. , Döppner T. , Falcone R. W. , Fletcher L. B. , Galtier E. , Glenzer S. H. , Laso Garcia A. , Gericke D. O. , Heimann P. A. , Lee H. J. , McBride E. E. , Pelka A. , Prencipe I. , Saunders A. M. , Schölmerich M. , Schörner M. , Sun P. , Vinci T. , Ravasio A. , Kraus D.
Published: June 2021

We present structure and equation of state (EOS) measurements of biaxially orientated polyethylene terephthalate (PET, $$({\hbox {C}}_{10} {\hbox {H}}_8 {\hbox {O}}_4)_n$$

(

C
10

H
8

O
4

)

n

, also called mylar) shock-compressed to ($$155 \pm 20$$

155
±
20

) GPa and ($$6000 \pm 1000$$

6000
±
1000

) K using in situ X-ray diffraction, Doppler velocimetry, and optical pyrometry. Comparing to density functional theory molecular dynamics (DFT-MD) simulations, we find a highly correlated liquid at conditions differing from predictions by some equations of state tables, which underlines the influence of complex chemical interactions in this regime. EOS calculations from ab initio DFT-MD simulations and shock Hugoniot measurements of density, pressure and temperature confirm the discrepancy to these tables and present an experimentally benchmarked correction to the description of PET as an exemplary material to represent the mixture of light elements at planetary interior conditions.
Exploring physicochemical and cytogenomic diversity of African cowpea and common bean
Authors: Catarino Sílvia , Brilhante Miguel , Essoh Anyse Pereira , Charrua Alberto B. , Rangel Josefa , Roxo Guilherme , Varela Eromise , Moldão Margarida , Ribeiro-Barros Ana , Bandeira Salomão , Moura Mónica , Talhinhas Pedro , Romeiras Maria M.
Published: June 2021

In sub-Saharan Africa, grain legumes (pulses) are essential food sources and play an important role in sustainable agriculture. Among the major pulse crops, the native cowpea (Vigna unguiculata) and introduced common bean (Phaseolus vulgaris) stand out. This paper has two main goals. First, we provide a comprehensive view of the available genetic resources of these genera in Africa, including data on germplasm collections and mapping biodiversity-rich areas. Second, we investigate patterns of physicochemical and cytogenomic variation across Africa to explore the geographical structuring of variation between native and introduced beans. Our results revealed that 73 Vigna and 5 Phaseolus species occur in tropical regions of Africa, with 8 countries accounting for more than 20 native species. Conversely, germplasm collections are poorly represented when compared to the worldwide collections. Regarding the nuclear DNA content, on average, V. unguiculata presents significantly higher values than P. vulgaris. Also, V. unguiculata is enriched in B, Mg, S, and Zn, while P. vulgaris has more Fe, Ca, and Cu. Overall, our study suggests that the physicochemical and cytogenomic diversity of native Vigna species is higher than previously thought, representing valuable food resources to reduce food insecurity and hunger, particularly of people living in African developing countries.
Healthy decisions in the cued-attribute food choice paradigm have high test-retest reliability
Authors: Barakchian Zahra , Beharelle Anjali Raja , Hare Todd A.
Published: June 2021

Food choice paradigms are commonly used to study decision mechanisms, individual differences, and intervention efficacy. Here, we measured behavior from twenty-three healthy young adults who completed five repetitions of a cued-attribute food choice paradigm over two weeks. This task includes cues prompting participants to explicitly consider the healthiness of the food items before making a selection, or to choose naturally based on whatever freely comes to mind. We found that the average patterns of food choices following both cue types and ratings about the palatability (i.e. taste) and healthiness of the food items were similar across all five repetitions. At the individual level, the test-retest reliability for choices in both conditions and healthiness ratings was excellent. However, test-retest reliability for taste ratings was only fair, suggesting that estimates about palatability may vary more from day to day for the same individual.
Comparison of microsatellite instability detection by immunohistochemistry and molecular techniques in colorectal and endometrial cancer
Authors: Dedeurwaerdere Franceska , Claes Kathleen BM , Van Dorpe Jo , Rottiers Isabelle , Van der Meulen Joni , Breyne Joke , Swaerts Koen , Martens Geert
Published: June 2021

DNA mismatch repair deficiency (dMMR) testing is crucial for diagnosing Lynch syndrome and detection of microsatellite unstable (MSI) tumors eligible for immunotherapy. The aim of this study was to compare the relative diagnostic performance of three molecular MSI assays: polymerase chain reaction (PCR), MSI testing by Idylla and next-generation-sequencing (NGS) on 49 tumor samples (28 colorectal and 21 endometrial adenocarcinomas) versus immunohistochemistry (IHC). Discrepancies were investigated by MLH1 methylation analysis and integrated with germline results if available. Overall, the molecular assays achieved equivalent diagnostic performance for MSI detection with area under the ROC curves (AUC) of respectively 0.91 for Idylla and PCR, and 0.93 for NGS. In colorectal cancers with tumor cell percentages ≥ 30% all three molecular assays achieved 100% sensitivity and specificity (AUC = 1) versus IHC. Also, in endometrial cancers, all three molecular assays showed equivalent diagnostic performance, albeit at a clearly lower sensitivity ranging from 58% for Idylla to 75% for NGS, corresponding to negative predictive values from 78 to 86%. PCR, Idylla and NGS show similar diagnostic performance for dMMR detection in colorectal and endometrial cancers. Molecular MSI analysis has lower sensitivity for dMMR detection in endometrial cancer indicating that combined use of both IHC and molecular methods is recommended.

Clinical Trial Number/IRB: B1172020000040, Ethical Committee, AZ Delta General Hospital.
A unifying model to estimate thermal tolerance limits in ectotherms across static, dynamic and fluctuating exposures to thermal stress
Authors: Jørgensen Lisa Bjerregaard , Malte Hans , Ørsted Michael , Klahn Nikolaj Andreasen , Overgaard Johannes
Published: June 2021

Temperature tolerance is critical for defining the fundamental niche of ectotherms and researchers classically use either static (exposure to a constant temperature) or dynamic (ramping temperature) assays to assess tolerance. The use of different methods complicates comparison between studies and here we present a mathematical model (and R-scripts) to reconcile thermal tolerance measures obtained from static and dynamic assays. Our model uses input data from several static or dynamic experiments and is based on the well-supported assumption that thermal injury accumulation rate increases exponentially with temperature (known as a thermal death time curve). The model also assumes thermal stress at different temperatures to be additive and using experiments with Drosophila melanogaster, we validate these central assumptions by demonstrating that heat injury attained at different heat stress intensities and durations is additive. In a separate experiment we demonstrate that our model can accurately describe injury accumulation during fluctuating temperature stress and further we validate the model by successfully converting literature data of ectotherm heat tolerance (both static and dynamic assays) to a single, comparable metric (the temperature tolerated for 1 h). The model presented here has many promising applications for the analysis of ectotherm thermal tolerance and we also discuss potential pitfalls that should be considered and avoided using this model.
A homozygous nonsense mutation in DCBLD2 is a candidate cause of developmental delay, dysmorphic features and restrictive cardiomyopathy
Authors: Alhamoudi Kheloud M. , Barhoumi Tlili , Al-Eidi Hamad , Asiri Abdulaziz , Nashabat Marwan , Alaamery Manal , Alharbi Masheal , Alhaidan Yazeid , Tabarki Brahim , Umair Muhammad , Alfadhel Majid
Published: June 2021

DCBLD2 encodes discodin, CUB and LCCL domain-containing protein 2, a type-I transmembrane receptor that is involved in intracellular receptor signalling pathways and the regulation of cell growth. In this report, we describe a 5-year-old female who presented severe clinical features, including restrictive cardiomyopathy, developmental delay, spasticity and dysmorphic features. Trio-whole-exome sequencing and segregation analysis were performed to identify the genetic cause of the disease within the family. A novel homozygous nonsense variant in the DCBLD2 gene (c.80G > A, p.W27*) was identified as the most likely cause of the patient’s phenotype. This nonsense variant falls in the extracellular N-terminus of DCBLD2 and thus might affect proper protein function of the transmembrane receptor. A number of in vitro investigations were performed on the proband’s skin fibroblasts compared to normal fibroblasts, which allowed a comprehensive assessment resulting in the functional characterization of the identified DCBLD2 nonsense variant in different cellular processes. Our data propose a significant association between the identified variant and the observed reduction in cell proliferation, cell cycle progression, intracellular ROS, and Ca2 + levels, which would likely explain the phenotypic presentation of the patient as associated with lethal restrictive cardiomyopathy.
Associations between vitamin E, oxidative stress markers, total homocysteine levels, and physical activity or cognitive capacity in older adults
Authors: Alghadir Ahmad H. , Gabr Sami A. , Anwer Shahnawaz , Li Heng
Published: June 2021

This study examined the associations between vitamin E, oxidative stress markers, total homocysteine levels, and physical activity or cognitive capacity in older adults. One hundred and six older adults (62 men, 44 women) within the age range of 56–81 years participated. The Global Physical Activity Questionnaire and the Loewenstein Occupational Therapy Cognitive Assessment were used to assess physical activity and cognitive function, respectively. Vitamin E (e.g., α-tocopherol and γ-tocopherol), oxidative stress markers (e.g., total antioxidant capacity and nitric oxide), and total homocysteine were estimated. There were significant associations between physical activity (high versus moderate versus poor) and all biomarkers (allp = 0.000, andp = 0.010 for γ-tocopherol). While total homocysteine and total antioxidant capacity were significantly associated with cognitive capacity (p = 0.000), vitamin E levels (e.g., α-tocopherol and γ-tocopherol) and nitric oxide (p = 0.354, 0.103 and 0.060, respectively) were not related to cognitive capacity in older adults. This study concludes that physical activity was associated with Vitamin E, oxidative stress markers, total homocysteine, and cognitive capacity in older adults. Although cognitive capacity was associated with total homocysteine and total antioxidant capacity, it was unrelated to vitamin E levels and nitric oxide in older adults.
Lipid biomarkers in statin users with coronary artery disease annotated by coronary computed tomography angiography
Authors: Michelucci Elena , Giorgi Nicoletta Di , Finamore Francesco , Smit Jeff M. , Scholte Arthur J. H. A. , Signore Giovanni , Rocchiccioli Silvia
Published: June 2021

Molecular markers are suggested to improve the diagnostic and prognostic accuracy in patients with coronary artery disease (CAD) beyond current clinical scores based on age, gender, symptoms and traditional risk factors. In this context, plasma lipids are emerging as predictors of both plaque composition and risk of future events. We aim to identify plasma lipid biomarkers associated to CAD indexes of stenosis severity, plaque lipid content and a comprensive score of CAD extent and its risk. We used a simple high performance liquid chromatography-tandem mass spectrometry method to identify 69 plasma lipids in 132 subjects referred to Coronary Computed Tomography Angiography (CCTA) for suspected CAD, all under statin treatment. Patients were stratified in groups using three different CCTA-based annotations: CTA-risk score, lipid plaque prevalence (LPP) ratio and the coronary artery disease-reporting and data system (CAD-RADS). We identified a common set of lipid biomarkers composed of 7 sphingomyelins and 3 phosphatidylethanolamines, which discriminates between high risk CAD patients and controls regardless of the CAD annotations used (CTA score, LPP ratio, or CAD-RADS). These results highlight the potential of circulating lipids as biomarkers of stenosis severity, non calcified plaque composition and overall plaque risk of events.
Prediction accuracy of conventional and total keratometry for intraocular lens power calculation in femtosecond laser-assisted cataract surgery
Authors: Ryu Soyoung , Jun Ikhyun , Kim Tae-im , Seo Kyoung Yul , Kim Eung Kweon
Published: June 2021

This study evaluated the accuracy of total keratometry (TK) and standard keratometry (K) for intraocular lens (IOL) power calculation in eyes treated with femtosecond laser-assisted cataract surgery. The retrospective study included a retrospective analysis of data from 62 patients (91 eyes) who underwent uneventful femtosecond laser-assisted cataract surgery with Artis PL E (Cristalens Industrie, Lannion, France) IOL implantation by a single surgeon between May 2020 and December 2020 in Severance Hospital, Seoul, South Korea. The new IOLMaster 700 biometry device (Carl Zeiss Meditec, Jena, Germany) was used to calculate TK and K. The mean absolute error (MAE), median absolute error (MedAE), and the percentages of eyes within prediction errors of ± 0.25 D, ± 0.50 D, and ± 1.00 D were calculated for all IOL formulas (SRK/T, Hoffer-Q, Haigis, Holladay 1, Holladay 2, and Barrett Universal II). There was strong agreement between K and TK (intraclass correlation coefficient = 0.99), with a mean difference of 0.04 D. For all formulas, MAE tended to be lower for TK than for K, and relatively lower MAE and MedAE values were observed for SRK/T and Holladay 1. Furthermore, for all formulas, a greater proportion of eyes fell within ± 0.25 D of the predicted postoperative spherical equivalent range in the TK group than in the K group. However, differences in MAEs, MedAEs, and percentages of eyes within the above prediction errors were not statistically significant. In conclusion, TK and K exhibit comparable performance for refractive prediction in eyes undergoing femtosecond laser-assisted cataract surgery.
A predictive model for pain response following radiotherapy for treatment of spinal metastases
Authors: Wakabayashi Kohei , Koide Yutaro , Aoyama Takahiro , Shimizu Hidetoshi , Miyauchi Risei , Tanaka Hiroshi , Tachibana Hiroyuki , Nakamura Katsumasa , Kodaira Takeshi
Published: June 2021

To establish a predictive model for pain response following radiotherapy using a combination of radiomic and clinical features of spinal metastasis. This retrospective study enrolled patients with painful spine metastases who received palliative radiation therapy from 2018 to 2019. Pain response was defined using the International Consensus Criteria. The clinical and radiomic features were extracted from medical records and pre-treatment CT images. Feature selection was performed and a random forests ensemble learning method was used to build a predictive model. Area under the curve (AUC) was used as a predictive performance metric. 69 patients were enrolled with 48 patients showing a response. Random forest models built on the radiomic, clinical, and ‘combined’ features achieved an AUC of 0.824, 0.702, 0.848, respectively. The sensitivity and specificity of the combined features model were 85.4% and 76.2%, at the best diagnostic decision point. We built a pain response model in patients with spinal metastases using a combination of clinical and radiomic features. To the best of our knowledge, we are the first to examine pain response using pre-treatment CT radiomic features. Our model showed the potential to predict patients who respond to radiation therapy.
Three distinct atmospheric circulation patterns associated with high temperature extremes in South Korea
Authors: Kim Han-Kyoung , Moon Byung-Kwon , Kim Maeng-Ki , Park Jong-Yeon , Hyun Yu-Kyung
Published: June 2021

The negative impact of extreme high-temperature days (EHDs) on people’s livelihood has increased over the past decades. Therefore, an improved understanding of the fundamental mechanisms of EHDs is imperative to mitigate this impact. Herein, we classify the large-scale atmospheric circulation patterns associated with EHDs that occurred in South Korea from 1982 to 2018 using a self-organizing map (SOM) and investigate the dynamic mechanism for each cluster pattern through composite analysis. A common feature of all SOM clusters is the positive geopotential height (GPH) anomaly over the Korean Peninsula, which provides favorable conditions for EHDs through adiabatic warming caused by anomalous downward motion. Results show that Cluster 1 (C1) is related to the eastward-propagating wave train in the mid-latitude Northern Hemisphere, while Cluster 2 (C2) and 3 (C3) are influenced by a northward-propagating wave train forced by enhanced convection in the subtropical western North Pacific (WNP). Compared to C2, C3 exhibits strong and eastward-extended enhanced convection over the subtropical WNP, which generates an anomalous high-pressure system over the southern part of the Kamchatka Peninsula, reinforcing EHDs via atmospheric blocking. Our results can contribute to the understanding of East Asia climate variability because wave trains influence the climate dynamics of this region.
Overexpression of ferroptosis defense enzyme Gpx4 retards motor neuron disease of SOD1G93A mice
Authors: Chen Liuji , Na Ren , Danae McLane Kirsten , Thompson Cody Sylvester , Gao Ju , Wang Xinglong , Ran Qitao
Published: June 2021

Degeneration and death of motor neurons in Amyotrophic Lateral Sclerosis (ALS) are associated with increased lipid peroxidation. Lipid peroxidation is the driver of ferroptosis, an iron-dependent oxidative mode of cell death. However, the importance of ferroptosis in motor neuron degeneration of ALS remains unclear. Glutathione peroxidase 4 (Gpx4) is a key enzyme in suppressing ferroptosis by reducing phospholipid hydroperoxides in membranes. To assess the effect of increased protection against ferroptosis on motor neuron disease, we generated SOD1G93AGPX4 double transgenic mice by cross-breeding GPX4 transgenic mice with SOD1G93A mice, a widely used ALS mouse model. Compared with control SOD1G93A mice, both male and female SOD1G93AGPX4 mice had extended lifespans. SOD1G93AGPX4 mice also showed delayed disease onset and increased motor function, which were correlated with ameliorated spinal motor neuron degeneration and reduced lipid peroxidation. Moreover, cell toxicity induced by SOD1G93A was ameliorated by Gpx4 overexpression and by chemical inhibitors of ferroptosis in vitro. We further found that the anti-ferroptosis defense system in spinal cord tissues of symptomatic SOD1G93A mice and sporadic ALS patients might be compromised due to deficiency of Gpx4. Thus, our results suggest that ferroptosis plays a key role in motor neuron degeneration of ALS.
Noninvasive assessment of endometrial fibrosis in patients with intravoxel incoherent motion MR imaging
Authors: Hu Qing , Jiang Peipei , Feng Yongjing , Xu Yan , Zhou Nan , Chen Weibo , Zhu Li , Hu Yali , Zhou Zhengyang
Published: June 2021

Recently, few noninvasive methods have been reported to evaluate endometrial fibrosis. Our study was to investigate the feasibility of intravoxel incoherent motion (IVIM) MR imaging in the detection of endometrial fibrosis in patients with intrauterine injury. 30 patients with hysteroscopy-confirmed endometrial fibrosis and 28 healthy women were enrolled to undergo MR examination including the IVIM sequence. Endometrial thickness (ET); apparent diffusion coefficient (ADC); and IVIM parameters, including pure diffusion coefficient (D), pseudodiffusion coefficient (D*) and vascular fraction (f) were evaluated. A multivariable model combing ADC, D, and f values using binary logistic regression analysis was built to diagnose endometrial fibrosis. Endometrial fibrosis patients demonstrated lower endometrial ADC, D, f values and ET (all p < 0.05). The multivariable model, ADC, D, f values and ET performed well in diagnosing endometrial fibrosis with AUC of 0.979, 0.965, 0.920, 0.901 and 0.833, respectively. The multivariable model revealed a better diagnostic accuracy than D, f and ET (all p < 0.05). Although ADC achieved a better diagnostic value than ET (z = 2.082, p < 0.05), no difference in AUC was shown among ADC, D, and f (all p > 0.05); between ET and D (p > 0.05); and between ET and f (p > 0.05). The reproducibility of ADC, D, f and D* values in patients with endometrial fibrosis and healthy women were good to excellent (ICC: 0.614–0.951). IVIM parameters exhibit promising potential to serve as imaging biomarkers in the noninvasive assessment of endometrial fibrosis.
Mixed convection flow along a curved surface in the presence of exothermic catalytic chemical reaction
Authors: Ahmad Uzma , Ashraf Muhammad , Abbas Amir , Rashad A. M. , Nabwey Hossam A.
Published: June 2021

In the current study, the attention is paid on the phenomena of mixed convection flow under the effect of exothermic catalytic chemical reaction along the curved surface. The proposed problem is modeled in nonlinear coupled partial differential equations. In keeping view the principle of homogeneity the dimensional flow model is transformed into dimensionless by using an appropriate scaling. This well arranged form of equations is then discretized with the aid of finite difference method for the numerical solution. The solutions of the considered model are estimated and displayed in the graphs. Here, in the contemporary study variables of physical significance such as velocity profile, temperature distribution and mass concentration are encountered efficiently. The incorporated pertinent dimensionless numbers that is body shape parameter, mixed convection parameter, modified mixed convection parameter, Prandtle number, exothermic parameter, chemical reaction parameter, temperature relative parameter, dimensionless activation energy parameter, and Schmidt number for which variations in the concentrated physical variables are estimated and presented in graphical way. For each boundary conditions computations are performed along the curved surface for different body shape parameter (n) values range from 0 up to 0.5; the obtained results satisfied by the boundary conditions. The velocity profile becomes increasingly more significant for n equal to 1 and due to the uniformly heated surface temperature profile and mass concentration are uniformly distributed.
Combination of 131I-trastuzumab and lanatoside C enhanced therapeutic efficacy in HER2 positive tumor model
Authors: Vinod Nagarajan , Kim Jae Hyung , Choi Seungbum , Lim Ilhan
Published: June 2021

Lanatoside C has a promising anti-tumor activity and is a potential candidate for radiosensitizers. In this study, we have investigated the therapeutic efficacy of the combination of 131I-trastuzumab and lanatoside C for inhibition of human epidermal growth factor receptor 2 (HER2) positive tumor progression in NCI-N87 xenograft model. The combination treatment (131I-trastuzumab and lanatoside C) showed highest cytotoxicity when compared to non-treated control or trastuzumab alone or 131I alone or 131I-trastuzumab alone in vitro. Biodistribution studies using 131I-trastuzumab or combination of 131I-trastuzumab and lanatoside C showed tumor uptake in BALB/c nude mice bearing HER2 positive NCI-N87 tumor xenograft model. The higher tumor uptake was observed in 131I-trastuzumab (19.40 ± 0.04% ID/g) than in the combination of 131I-trastuzumab and lanatoside C (14.02 ± 0.02% ID/g) at 24 h post-injection. Most importantly, an antitumor effect was observed in mice that received the combination of 131I-trastuzumab and lanatoside C (p = 0.009) when compared to control. In addition, mice received lanatoside C alone (p = 0.085) or 131I-trastuzumab alone (p = 0.160) did not significantly inhibit tumor progression compared with control. Taken together, our data suggest that combination of 131I-trastuzumab and lanatoside C might be a potential synergistic treatment for radioimmunotherapy to control the HER2 positive tumor.
Polymer Functionalized Graphene
Authors: Nandi Arun Kumar
Published: June 2021

There is an immense variety of research on polymer functionalized graphene (PFG). Functionalization of graphene is necessary for improvement of the compatibility with polymers. Applications of these graphene polymer hybrids include in chemical and biological sensing, photovoltaic devices, supercapacitors and batteries, dielectric materials and drug/gene delivery vehicles. This book will shed light on the synthesis, properties and applications of these new materials, covering two methods (covalent and noncovalent) for producing polymer functionalized graphene. Chapters cover physical, optical, mechanical and electronic properties, applications of polymer functionalized graphene in energy harvesting and storage, and uses in biomedicine and bioengineering. Written by an expert in the field, Polymer Functionalized Graphene will be of interest to graduate students and researchers in polymer chemistry and nanoscience.
Recent trends in biocatalysis
Authors: Yi Dong , Bayer Thomas , Badenhorst Christoffel P. S. , Wu Shuke , Doerr Mark , Höhne Matthias , Bornscheuer Uwe T.
Published: June 2021

Technological developments enable the discovery of novel enzymes, the advancement of enzyme cascade designs and pathway engineering, moving biocatalysis into an era of technology integration, intelligent manufacturing and enzymatic total synthesis.
Distribution and propagation of mechanical stress in simulated structurally heterogeneous tissue spheroids
Authors: Cuvelier Maxim , Pešek Jiří , Papantoniou Ioannis , Ramon Herman , Smeets Bart
Published: June 2021

We unravel how mechanical stress heterogeneity and core-periphery asymmetry in tissue spheroids are modulated by their granular micro-structure, by means of simulations with a deformable cell model.
Low-cost smartphone-based LIBS combined with deep learning image processing for accurate lithology recognition
Authors: Wang Xu , Chen Sha , Wu Mengfan , Zheng Ruiqin , Liu Zhuo , Zhao Zhongjun , Duan Yixiang
Published: June 2021

A multi-channel smartphone-based spectrometer was developed for LIBS. The spectra and the spatial spectral distributions of plasma plumes were recorded as images and processed through a deep learning model for accurate rock type prediction.
Cost-efficient and user-friendly 17O/18O labeling procedures of fatty acids using mechanochemistry
Authors: Špačková Jessica , Fabra Charlyn , Cazals Guillaume , Hubert-Roux Marie , Schmitz-Afonso Isabelle , Goldberga Ieva , Berthomieu Dorothée , Lebrun Aurélien , Métro Thomas-Xavier , Laurencin Danielle
Published: June 2021

Two mechanochemical procedures for 17O/18O-isotope labeling of fatty acids are reported: a carboxylic acid activation/hydrolysis approach and a saponification approach.
BiMnPO5 with ferromagnetic Mn2+–(μ-O)2–Mn2+ units: a model for magnetic exchange in edge-linked Mn2+O6 octahedra
Authors: Li Rukang , Smith Ronald I. , Greaves Colin
Published: June 2021

Computations and neutron diffraction experiments are used to analyse the magnetic interactions in discrete pairs of edge-linked Mn(ii)O6 octahedra.
Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation
Authors: Pocock Ian A. , Alotaibi Alya M. , Jagdev Kesar , Prior Connor , Burgess Gregory R. , Male Louise , Grainger Richard S.
Published: June 2021

The simple combination of a bulky TIPS group on nitrogen and C–H activation using nBuLi–TMEDA allows direct functionalization of the hindered bay region of carbazole.
Electrochemically induced nucleation of oxidic crystals in melts – a review
Authors: Wisniewski Wolfgang , Rüssel Christian
Published: June 2021

Electrochemically induced nucleation refers to a method where an applied potential triggers an electrochemical reaction which changes the conditions in the melt so that nucleation can occur where it was previously not significantly possible.
Lead-free perovskite compounds CsSn1−xGexI3−yBry explored for superior visible-light absorption
Authors: Chang Junli , Jiang Liping , Wang Guangzhao , Zhao Wei , Huang Yuhong , Chen Hong
Published: June 2021

We determine using DFT that perovskite CsSn0.5Ge0.5I2Br is a good choice for photovoltaic applications.
QM calculations predict the energetics and infrared spectra of transient glutamine isomers in LOV photoreceptors
Authors: Andrikopoulos Prokopis C. , Chaudhari Aditya S. , Liu Yingliang , Konold Patrick E. , Kennis John T. M. , Schneider Bohdan , Fuertes Gustavo
Published: June 2021

The isomerisation of a conserved glutamine residue along the early photocycle of 3 LOV domains is explored by QM calculations, revealing IR spectral shifts upon rotation in agreement with time-resolved experiments.
Gas-phase aluminium acetylacetonate decomposition: revision of the current mechanism by VUV synchrotron radiation
Authors: Grimm Sebastian , Baik Seung-Jin , Hemberger Patrick , Bodi Andras , Kempf Andreas M. , Kasper Tina , Atakan Burak
Published: June 2021

Metal-containing and aromatic gas-phase species with a short lifetime are observed and assigned upon pyrolysis of Al(C5H7O2)3.
Electrochemical behavior and electrodeposition of gallium in 1,2-dimethoxyethane-based electrolytes
Authors: Monnens Wouter , Lin Pin-Cheng , Deferm Clio , Binnemans Koen , Fransaer Jan
Published: June 2021

The electrodeposition of gallium from GaCl3 in 1,2-dimethoxyethane (DME) is a two-step reduction process, leading to a deposit composed of spherical gallium droplets covered by thin gallium oxide shells.
Nuclear spin relaxation as a probe of zeolite acidity: a combined NMR and TPD investigation of pyridine in HZSM-5
Authors: Robinson Neil , Bräuer Pierre , York Andrew P. E. , D'Agostino Carmine
Published: June 2021

2D1H NMR relaxation time measurements reveal the relative surface affinities of pyridine within microporous HZSM-5 zeolites with varying silica/alumina ratios.
Heme is responsible for enhanced singlet oxygen deactivation in cytochrome c
Authors: Hovan Andrej , Berta Martin , Sedláková Dagmar , Miskovsky Pavol , Bánó Gregor , Sedlák Erik
Published: June 2021

Cytochrome c and apocytochrome c were used to illustrate how the heme prosthetic group influences the rate constant of singlet oxygen deactivation upon conformational change of cytochrome c.
Structure and dynamics of highly concentrated LiTFSI/acetonitrile electrolytes
Authors: Lundin Filippa , Aguilera Luis , Hansen Henriette Wase , Lages Sebastian , Labrador Ana , Niss Kristine , Frick Bernhard , Matic Aleksandar
Published: June 2021

Jump diffusion in/out of the solvation shell controls the ion transport in highly concentrated electrolytes.
Chemoproteomic methods for covalent drug discovery
Authors: Chan Wai Cheung , Sharifzadeh Shabnam , Buhrlage Sara J. , Marto Jarrod A.
Published: June 2021

The past decade has witnessed growing enthusiasm for covalent drug discovery. We review foundational and cutting-edge mass spectrometry chemoproteomic methods for covalent drug discovery: target ID, hit discovery, and lead characterization.
Bioresourced fillers for rubber composite sustainability: current development and future opportunities
Authors: Chang Boon Peng , Gupta Arvind , Muthuraj Rajendran , Mekonnen Tizazu H.
Published: June 2021

This article reviewed the recent progress in the development and utilization of sustainable biofillers for rubber composite applications, emphasizing the effect of the filler on the structure–processing–property relationship of rubber composites.
Correction: Extractive separation of rare earth elements and their determination by inductively coupled plasma optical emission spectrometry in geological samples
Authors: Pradhan Susanta Kumar , Ambade Balram
Published: June 2021

Correction for ‘Extractive separation of rare earth elements and their determination by inductively coupled plasma optical emission spectrometry in geological samples’ by Susanta Kumar Pradhan et al., J. Anal. At. Spectrom., 2020, 35, 1395–1404, DOI: 10.1039/D0JA00190B.
Understanding hierarchical spheres-in-grating assembly for bio-inspired colouration
Authors: Chen Shengyang , Haehnle Bastian , Van der Laan Xavier , Kuehne Alexander J. C. , Botiz Ioan , Stavrinou Paul N. , Stingelin Natalie
Published: June 2021

Mechanistic and predictive understanding is provided on spheres-in-grating assembly towards hierarchical structure with colouration effects as found in nature, exploiting embossed polymer gratings and self-assembled light-absorbing micro-spheres.
Bovine serum albumin interactive one dimensional hexanuclear manganese(iii) complex: synthesis, structure, binding and molecular docking studies
Authors: Khatun Rousunara , Dolai Malay , Sasmal Mihir , Sepay Nayim , Ali Mahammad
Published: June 2021

A hexanuclear Mn(III) complex was synthesized and structiurally characterized which exhibits fluorescence quenching of BSA probably through site selective binding at the mouth of site I in subdomain IIA.
Surface modification of Ni-rich LiNi0.8Co0.1Mn0.1O2 with perovskite LaFeO3 for high voltage cathode materials
Authors: Kim Hong Ki , Kang Hyeong Seop , Santhoshkumar P. , Park Jae Woo , Ho Chang Won , Sim Gyu Sang , Lee Chang Woo
Published: June 2021

LaFeO3-coated NCM811 electrode materials are fabricated by a simple wet chemical synthesis technique. The 0.5 wt% LaFeO3-coated NCM811 cathode material shows higher cycling stability when compared to the bare NCM811.
Thermoset resin curing simulation using quantum-chemical reaction path calculation and dissipative particle dynamics
Authors: Kawagoe Yoshiaki , Kikugawa Gota , Shirasu Keiichi , Okabe Tomonaga
Published: June 2021

We proposed a coarse-grained curing simulation technique for thermoset resin that combines DPD with anab initioquantum calculation. An all-atom MD system was reconstructed from the DPD system using reverse mapping to evaluate several properties.
Light-switchable deposits from evaporating drops containing motile microalgae
Authors: Bittermann Marius R. , Bonn Daniel , Woutersen Sander , Deblais Antoine
Published: June 2021

In this study, we show how deposits from evaporating drops containing motile microalgae can be tuned by changing parameters of the incident light source.
An integrated highly hydrated cellulose network with a synergistic photothermal effect for efficient solar-driven water evaporation and salt resistance
Authors: Chen Yu , Yang Jin , Zhu Lin , Jia Xiaohua , Wang Sizhe , Li Yong , Song Haojie
Published: June 2021

With integrated activated water in a hydrated cellulose network and the synergistic photothermal effect between PDA and MX, the obtained PDMX@DW evaporator achieved a high evaporation rate of 2.08 kg m−2 h−1 under 1 sun illumination.
Novel semiconducting nano-agents incorporating tirapazamine for imaging guided synergistic cancer hypoxia activated photo-chemotherapy
Authors: Zhang Guorong , Wang Weixiang , Zou Huihui , Wei Zheng , Song Chuanhui , Ran Jianchuan , Cao Zichen , Cai Yu , Han Wei
Published: June 2021

The imaging guided synergistic photothermal, photodynamic and chemical therapy of ITTC NPs and TPZ have great potential for clinical transformation in tumor diagnosis and therapy.
Precursor polymorph determines the organic semiconductor structure formed upon annealing
Authors: Pandolfi Lorenzo , Giunchi Andrea , Rivalta Arianna , D'Agostino Simone , Della Valle Raffaele Guido , Mas-Torrent Marta , Lanzi Massimilano , Venuti Elisabetta , Salzillo Tommaso
Published: June 2021

Polymorph selection in thin films of quinacridone obtained by the soluble latent pigment precursor method is found to be driven by the crystalline form of the precursor in a combined low-frequency Raman spectroscopy and X-ray diffraction study.
Engineering polymer solar cells: advancement in active layer thickness and morphology
Authors: Gupta Ritesh Kant , Garai Rabindranath , Hossain Maimur , Afroz Mohammad Adil , Kalita Dibashmoni , Iyer Parameswar Krishnan
Published: June 2021

This review consists of technological and molecular evolutions that have been developed recently to modulate the morphology and achieve a thick photoactive layer, which has taken us closer to commercialization of polymer solar cells.
Time‐frequency characterisation of bistatic Doppler signature of a wooded area walk at L‐band
Authors: Manfredi Giovanni , Hinostroza Sáenz Israel D. , Menelle Michel , Saillant Stéphane , Ovarlez Jean‐Philippe , Thirion‐Lefevre Laetitia
Published: June 2021

The Doppler signature of a man walking in a forested area analysed at L‐band is presented here. The aim is twofold: to assess the best time‐frequency distribution to characterise the activity; to highlight the similarity of the simulated data to the measured ones to validate the simulation tool. Indeed, the Doppler‐Time (DT) signal variation represents the main characteristic of Artificial Neural Networks (ANNs) for classification. The more accurately the DT characterises the activity, the higher the machine’s accuracy in classifying it. Besides, in the training data frame, reliable simulated models may supply the amount of data needed by ANN applications. Thus, a short‐time Fourier transform (STFT), a reassigned spectrogram (RE‐Spect), and a pseudo‐Wigner–Ville distribution have been applied to the measured and simulated data. The measurements have been performed using a bistatic radar working at 1 GHz. Then, the measurement setup has been replicated in simulation, and 3‐D human bodies walking in free space have been computed using physical optics. The results show that the STFT is the most suitable time‐frequency method for recognising and classifying the walk. Moreover, the simulated data are in agreement with the measured data, regardless of the chosen Cohen’s technique.
Drifting features: Detection and evaluation in the context of automatic RR Lyrae identification in the VVV
Authors: Cabral J. B. , Lares M. , Gurovich S. , Minniti D. , Granitto P. M.
Published: June 2021

Context. As most of the modern astronomical sky surveys produce data faster than humans can analyse it, machine learning (ML) has become a central tool in astronomy. Modern ML methods can be characterised as highly resistant to some experimental errors. However, small changes in the data over long angular distances or long periods of time, which cannot be easily detected by statistical methods, can be detrimental to these methods.

Aims. We develop a new strategy to cope with this problem, using ML methods in an innovative way to identify these potentially detrimental features.

Methods. We introduce and discuss the notion of drifting features, related with small changes in the properties as measured in the data features. We use the identification techniques of RR Lyrae variable objects (RRLs) in the VVV based on an earlier work and introduce a method for detecting drifting features. For the VVV, each sky observation zone is called a tile. Our method forces the classifier to learn from the sources (mostly stellar ‘point sources’) which tile the source originated from and to select the features that are most relevant to the task of finding candidate drifting features.

Results. We show that this method can efficiently identify a reduced set of features that contains useful information about the tile of origin of the sources. For our particular example of detecting RRLs in the VVV, we find that drifting features are mostly related to colour indices. On the other hand, we show that even if we have a clear set of drifting features in our problem, they are mostly insensitive to the identification of RRLs.

Conclusions. Drifting features can be efficiently identified using ML methods. However, in our example removing drifting features does not improve the identification of RRLs.
COVID-19 –global transition to a new architecture and urban development paradigm of the environment?
Authors: Aidarova Galina , Aminov Aidar
Published: June 2021

New trends in the social life at crucial points mean applying to the past experience and looking for new development models. COVID-19 has marked a global transition to a new architecture and urban planning paradigm of the environment in accordance with the sanitary, hygienic requirements and rational forms. In accordance with the current challenges it becomes necessary to reevaluate the concepts of urbanism and disurbanism redefining urban planning, existing typology, structural and functional organization as well as to search for new ways of architecture and urban development. Urban structures and sociology are expected to be reconsidered leading to reduced capacity of all public buildings, disappearance of some of them and replacement by recreation zones. Inexhaustible ideas and resources of past design approaches may be featured in the buildings styles. We could predict appearance of significant signs of new ethics in the new aesthetics which will mark the arrival of the third global «superstyle» which features have been already seen in the rigid construction approaches, in the social movements activities. Methods of architecture education are expected to be modified: in particular, the importance of advanced techniques in the educational process will increase and teamwork in the architecture projects will became vital.
Emergency architecture. Modular construction of healthcare facilities as a response to pandemic outbreak
Authors: Smolova Marina , Smolova Daria
Published: June 2021

Emerging infectious diseases originating from wildlife species continue to demolish humankind leaving an imprint on human history. December 2019 has marked the emergence of a novel coronavirus named SARS-CoV-2 (Covid-2019) originated in China in the city of Wuhan. Drastic emergence and spread of infectious disease have shown to appear in highly densified areas causing rapid spread of epidemic through population movement, transmission routes, major activity nodes, proximity, and connectivity of urban spaces. An extreme number of cases rising throughout the world caused space unavailability in healthcare facilities to serve patients infected with Covid-2019, therefore urging for innovative emergency management response from construction and architecture industry. Prefabricated modular construction has been widely utilized around the globe assembling rapid response facilities after catastrophic events such as tornadoes, hurricanes, and forest fires. An increasing number of Covid-2019 cases demanded effective and compressed implementation of medical centres to provide expeditious and secure healthcare. The paper examines the potential of standardization of modular construction of hospitals as a response to current and potential pandemic outbreaks. The research provides fundamental planning requirements of isolation units and their design flexibility as a key to rapid emergency solution.
Local development and cultural landscapes: getting to know the inaccessible villages of the greek war of independence
Authors: Tsakiri Efrossyni , Markou Maria , Moraitis Konstantinos , Haniotou Helene
Published: June 2021

The cultural landscapes have a dual, material and intangible nature being the result of interactions between people and nature through time. Considering that its understanding requires integrated analysis techniques we experimented a mapping method in «Revolutionary Palimpsests», a research project investigating the cultural landscapes of settlements that played an important role in the Greek War of Independence. Combining design, cartography and visual arts and focusing on socio-spatial complexities, our researchers produced maps of both artistic and informative nature revealing the mnemonic traces of such a historical event on those settlements. Maps’ exhibition in a visual art event is expected to sensitize the public to that local heritage. We argue that the protection and promotion of the cultural landscape plays a significant role in development, strengthening the local identity and commitment, also enhancing the attractiveness, that is essential especially for inaccessible settlements that are facing development deficiencies, such as many mountainous and island settlements in Greece. From about 150 mapped «revolutionary settlements» we will refer below to the example of two inaccessible areas, Souli in Epirus and Mani (Maina) in Peloponnese, exploring the question of whether the protection and promotion of their cultural landscape could contribute to development.