bluuebunny/crossref_metadata_2025 huggingface dataset:
Using deep learning to predict temporomandibular joint disc perforation based on magnetic resonance imaging
Authors: Kim Jae-Young , Kim Dongwook , Jeon Kug Jin , Kim Hwiyoung , Huh Jong-Ki
Published: March 2021

The goal of this study was to develop a deep learning-based algorithm to predict temporomandibular joint (TMJ) disc perforation based on the findings of magnetic resonance imaging (MRI) and to validate its performance through comparison with previously reported results. The study objects were obtained by reviewing medical records from January 2005 to June 2018. 299 joints from 289 patients were divided into perforated and non-perforated groups based on the existence of disc perforation confirmed during surgery. Experienced observers interpreted the TMJ MRI images to extract features. Data containing those features were applied to build and validate prediction models using random forest and multilayer perceptron (MLP) techniques, the latter using the Keras framework, a recent deep learning architecture. The area under the receiver operating characteristic (ROC) curve (AUC) was used to compare the performances of the models. MLP produced the best performance (AUC 0.940), followed by random forest (AUC 0.918) and disc shape alone (AUC 0.791). The MLP and random forest were also superior to previously reported results using MRI (AUC 0.808) and MRI-based nomogram (AUC 0.889). Implementing deep learning showed superior performance in predicting disc perforation in TMJ compared to conventional methods and previous reports.
Bio-multifunctional noncovalent porphyrin functionalized carbon-based nanocomposite
Authors: Rabiee Navid , Bagherzadeh Mojtaba , Ghadiri Amir Mohammad , Fatahi Yousef , Baheiraei Nafiseh , Safarkhani Moein , Aldhaher Abdullah , Dinarvand Rassoul
Published: March 2021

Herein, in a one-pot method, the reduced graphene oxide layers with the assistance of multiwalled carbon nanotubes were decorated to provide a suitable space for the in situ growth of CoNi2S4, and the porphyrins were incorporated into the layers as well to increase the sensitivity of the prepared nanostructure. The prepared nanocomposite can establish π–π interactions between the genetic material and on the surface of porphyrin rings. Also, hydrogen bonds between genetic domains and the porphyrin’ nitrogen and the surface hydroxyl groups are probable. Furthermore, the potential donor–acceptor relationship between the d7 transition metal, cobalt, and the genetic material provides a suitable way to increase the interaction and gene loading , and transfections. The reason for this phenomenon was optimized to increase the EGFP by up to 17.9%. Furthermore, the sensing ability of the nanocomposite towards H2O2 was investigated. In this regard, the limit of detection of the H2O2 obtained 10 µM. Also, the in situ biosensing ability in the HEK-293 and PC12 cell lines was evaluated by the addition of PMA. The nanocomposite showed the ability to detect the released H2O2 after adding the minimum amount of 120 ng/mL of the PMA.
Suggestion for a new deterministic model coupled with machine learning techniques for landslide susceptibility mapping
Authors: Min Dae-Hong , Yoon Hyung-Koo
Published: March 2021

Deterministic models have been widely applied in landslide risk assessment (LRA), but they have limitations in obtaining various geotechnical and hydraulic properties. The objective of this study is to suggest a new deterministic method based on machine learning (ML) algorithms. Eight crucial variables of LRA are selected with reference to expert opinions, and the output value is set to the safety factor derived by Mohr–Coulomb failure theory in infinite slope. Linear regression and a neural network based on ML are applied to find the best model between independent and dependent variables. To increase the reliability of linear regression and the neural network, the results of back propagation, including gradient descent, Levenberg–Marquardt (LM), and Bayesian regularization (BR) methods, are compared. An 1800-item dataset is constructed through measured data and artificial data by using a geostatistical technique, which can provide the information of an unknown area based on measured data. The results of linear regression and the neural network show that the special LM and BR back propagation methods demonstrate a high determination of coefficient. The important variables are also investigated though random forest (RF) to overcome the number of various input variables. Only four variables—shear strength, soil thickness, elastic modulus, and fine content—demonstrate a high reliability for LRA. The results show that it is possible to perform LRA with ML, and four variables are enough when it is difficult to obtain various variables.
Herb-target virtual screening and network pharmacology for prediction of molecular mechanism of Danggui Beimu Kushen Wan for prostate cancer
Authors: Li Hong , Hung Andrew , Yang Angela Wei Hong
Published: March 2021

Prostate cancer (PCa) is a cancer that occurs in the prostate with high morbidity and mortality. Danggui Beimu Kushen Wan (DBKW) is a classic formula for patients with difficult urination including PCa. This study aimed to investigate the molecular mechanisms of DBKW for PCa. We obtained DBKW compounds from our previous reviews. We identified potential targets for PCa from literature search, currently approved drugs and Open Targets database and filtered them by protein–protein interaction network analysis. We selected 26 targets to predict three cancer-related pathways. A total of 621 compounds were screened via molecular docking using PyRx and AutoDock Vina against 21 targets for PCa, producing 13041 docking results. The binding patterns and positions showed that a relatively small number of tight-binding compounds from DBKW were predicted to interact strongly and selectively with three targets. The top five high-binding-affinity compounds were selected to generate a network, indicating that compounds from all three herbs had high binding affinity against the 21 targets and may have potential biological activities with the targets. DBKW contains multi-targeting agents that could act on more than one pathway of PCa simultaneously. Further studies could focus on validating the computational results via experimental studies.
A meta-analysis on heart rate variability biofeedback and depressive symptoms
Authors: Pizzoli Silvia F. M. , Marzorati Chiara , Gatti Daniele , Monzani Dario , Mazzocco Ketti , Pravettoni Gabriella
Published: March 2021

Heart rate variability biofeedback (HRVB) has been used for a number of years to treat depressive symptoms, a common mental health issue, which is often comorbid with other psychopathological and medical conditions. The aim of the present meta-analysis is to test whether and to what extent HRVB is effective in reducing depressive symptoms in adult patients. We conducted a literature search on Pubmed, ProQuest, Ovid PsycInfo, and Embase up to October 2020, and identified 721 studies. Fourteen studies were included in the meta-analysis. Three meta-regressions were also performed to further test whether publication year, the questionnaire used to assess depressive symptoms, or the interval of time between T0 and T1 moderated the effect of HRVB. Overall, we analysed 14 RCTs with a total of 794 participants. The random effect analysis yielded a medium mean effect size g = 0.38 [95% CI = 0.16, 0.60; 95% PI =  − 0.19, 0.96], z = 3.44, p = 0.0006. The total heterogeneity was significant, QT = 23.49, p = 0.03, I2 = 45%, which suggested a moderate variance among the included studies. The year of publication (χ2(1) = 4.08, p = 0.04) and the questionnaire used to assess symptoms (χ2(4) = 12.65, p = 0.01) significantly moderated the effect of the interventions and reduced heterogeneity. Overall, results showed that HRVB improves depressive symptoms in several psychophysiological conditions in adult samples and should be considered as a valid technique to increase psychological well-being.
OMN6 a novel bioengineered peptide for the treatment of multidrug resistant Gram negative bacteria
Authors: Mandel Shira , Michaeli Janna , Nur Noa , Erbetti Isabelle , Zazoun Jonathan , Ferrari Livia , Felici Antonio , Cohen-Kutner Moshe , Bachnoff Niv
Published: March 2021

New antimicrobial agents are urgently needed, especially to eliminate multidrug resistant Gram-negative bacteria that stand for most antibiotic-resistant threats. In the following study, we present superior properties of an engineered antimicrobial peptide, OMN6, a 40-amino acid cyclic peptide based on Cecropin A, that presents high efficacy against Gram-negative bacteria with a bactericidal mechanism of action. The target of OMN6 is assumed to be the bacterial membrane in contrast to small molecule-based agents which bind to a specific enzyme or bacterial site. Moreover, OMN6 mechanism of action is effective on Acinetobacter baumannii laboratory strains and clinical isolates, regardless of the bacteria genotype or resistance-phenotype, thus, is by orders-of-magnitude, less likely for mutation-driven development of resistance, recrudescence, or tolerance. OMN6 displays an increase in stability and a significant decrease in proteolytic degradation with full safety margin on erythrocytes and HEK293T cells. Taken together, these results strongly suggest that OMN6 is an efficient, stable, and non-toxic novel antimicrobial agent with the potential to become a therapy for humans.
Impact of high dietary cornstarch level on growth, antioxidant response, and immune status in GIFT tilapia Oreochromis niloticus
Authors: Han Haojun , Wang Zhen , Wang Jiting , Wang Tingting , Li Yang , Guan Dongyan , Sun Huiwen
Published: March 2021

This study was conducted to investigate the relationship between different cornstarch levels in tilapia diet and immune function. All test fish were fed with three cornstarch levels: low-cornstarch (0, LS), medium-cornstarch (18%, MS) and high-cornstarch (36%, HS) diets. Three hundred and sixty fish (initial mean body weight 31.73 ± 1.36 g) were randomly allocated into twelve water-circulated tanks, and thirty fish per tank. Compared with the low and medium cornstarch diets, the results of growth showed that the high cornstarch diet significantly decreased the FBW, WGR, and SGR, and increased the FCR of tilapia (P < 0.05). The high cornstarch diet significantly decreased the content of crude protein and increased the content of crude lipid in whole body composition (P < 0.05). Moreover, the VSI and CF in HS diet were significantly higher than those of LS diet (P < 0.05). The results of blood biochemical index exhibited that the HS diet significantly increased the content of blood glucose, and liver/muscle glycogen (P < 0.05). The results of antioxidant experiments demonstrated that the content of SOD and T-AOC in MS diet were significantly higher than those of HS diet (P < 0.05). Meanwhile, the content of MDA in MS diet was significantly lower than that of HS diet (P < 0.05). The results of immune index test showed that the lysozyme activities in the serum, liver, and gill, and the phagocytic activity and index in MS diet were significantly higher than those of HS diet (P < 0.05). The challenge assay results revealed that the mortality rate of HS diet was higher than those of LS and MS diets, but the difference was not significant (P > 0.05). In conclusion, the overall results suggested that the 36% cornstarch diet reduced not only the growth performance, but also body immunity. Under this experimental condition, GIFT tilapia could tolerate 18% cornstarch, but not 36% cornstarch.
On the impact of vessel wall stiffness on quantitative flow dynamics in a synthetic model of the thoracic aorta
Authors: Zimmermann Judith , Loecher Michael , Kolawole Fikunwa O. , Bäumler Kathrin , Gifford Kyle , Dual Seraina A. , Levenston Marc , Marsden Alison L. , Ennis Daniel B.
Published: March 2021

Aortic wall stiffening is a predictive marker for morbidity in hypertensive patients. Arterial pulse wave velocity (PWV) correlates with the level of stiffness and can be derived using non-invasive 4D-flow magnetic resonance imaging (MRI). The objectives of this study were twofold: to develop subject-specific thoracic aorta models embedded into an MRI-compatible flow circuit operating under controlled physiological conditions; and to evaluate how a range of aortic wall stiffness impacts 4D-flow-based quantification of hemodynamics, particularly PWV. Three aorta models were 3D-printed using a novel photopolymer material at two compliant and one nearly rigid stiffnesses and characterized via tensile testing. Luminal pressure and 4D-flow MRI data were acquired for each model and cross-sectional net flow, peak velocities, and PWV were measured. In addition, the confounding effect of temporal resolution on all metrics was evaluated. Stiffer models resulted in increased systolic pressures (112, 116, and 133 mmHg), variations in velocity patterns, and increased peak velocities, peak flow rate, and PWV (5.8–7.3 m/s). Lower temporal resolution (20 ms down to 62.5 ms per image frame) impacted estimates of peak velocity and PWV (7.31 down to 4.77 m/s). Using compliant aorta models is essential to produce realistic flow dynamics and conditions that recapitulated in vivo hemodynamics.
Modulation of optical absorption in m-Fe1−xRuxS2 and exploring stability in new m-RuS2
Authors: Joshi H. , Ram M. , Limbu N. , Rai D. P. , Thapa B. , Labar K. , Laref A. , Thapa R. K. , Shankar A.
Published: March 2021

A first-principle computational method has been used to investigate the effects of Ru dopants on the electronic and optical absorption properties of marcasite FeS2. In addition, we have also revealed a new marcasite phase in RuS2, unlike most studied pyrite structures. The new phase has fulfilled all the necessary criteria of structural stability and its practical existence. The transition pressure of 8 GPa drives the structural change from pyrite to orthorhombic phase in RuS2. From the thermodynamical calculation, we have reported the stability of new-phase under various ranges of applied pressure and temperature. Further, from the results of phonon dispersion calculated at Zero Point Energy, pyrite structure exhibits ground state stability and the marcasite phase has all modes of frequencies positive. The newly proposed phase is a semiconductor with a band gap comparable to its pyrite counterpart but vary in optical absorption by around 106 cm−1. The various Ru doped structures have also shown similar optical absorption spectra in the same order of magnitude. We have used crystal field theory to explain high optical absorption which is due to the involvement of different electronic states in formation of electronic and optical band gaps. Lӧwdin charge analysis is used over the customarily Mulliken charges to predict 89% of covalence in the compound. Our results indicate the importance of new phase to enhance the efficiency of photovoltaic materials for practical applications.
Weighted gene co-expression network analysis identifies specific modules and hub genes related to coronary artery disease
Authors: Zheng Peng-Fei , Chen Lu-Zhu , Guan Yao-Zong , Liu Peng
Published: March 2021

This investigation seeks to dissect coronary artery disease molecular target candidates along with its underlying molecular mechanisms. Data on patients with CAD across three separate array data sets, GSE66360, GSE19339 and GSE97320 were extracted. The gene expression profiles were obtained by normalizing and removing the differences between the three data sets, and important modules linked to coronary heart disease were identified using weighted gene co-expression network analysis (WGCNA). Gene Ontology (GO) functional and Kyoto Encyclopedia of Genes and genomes (KEGG) pathway enrichment analyses were applied in order to identify statistically significant genetic modules with the Database for Annotation, Visualization and Integrated Discovery (DAVID) online tool (version 6.8;http://david.abcc.ncifcrf.gov). The online STRING tool was used to construct a protein–protein interaction (PPI) network, followed by the use of Molecular Complex Detection (MCODE) plug-ins in Cytoscape software to identify hub genes. Two significant modules (green-yellow and magenta) were identified in the CAD samples. Genes in the magenta module were noted to be involved in inflammatory and immune-related pathways, based on GO and KEGG enrichment analyses. After the MCODE analysis, two different MCODE complexes were identified in the magenta module, and four hub genes (ITGAM, degree = 39;CAMP, degree = 37;TYROBP, degree = 28;ICAM1, degree = 18) were uncovered to be critical players in mediating CAD. Independent verification data as well as our RT-qPCR results were highly consistent with the above finding.ITGAM,CAMP,TYROBPandICAM1are potential targets in CAD. The underlying mechanism may be related to the transendothelial migration of leukocytes and the immune response.
Osteoinductive 3D printed scaffold healed 5 cm segmental bone defects in the ovine metatarsus
Authors: Yang Yunzhi Peter , Labus Kevin M. , Gadomski Benjamin C. , Bruyas Arnaud , Easley Jeremiah , Nelson Brad , Palmer Ross H. , McGilvray Kirk , Regan Daniel , Puttlitz Christian M. , Stahl Alexander , Lui Elaine , Li Jiannan , Moeinzadeh Seyedsina , Kim Sungwoo , Maloney William , Gardner Michael J.
Published: March 2021

Autologous bone grafts are considered the gold standard grafting material for the treatment of nonunion, but in very large bone defects, traditional autograft alone is insufficient to induce repair. Recombinant human bone morphogenetic protein 2 (rhBMP-2) can stimulate bone regeneration and enhance the healing efficacy of bone grafts. The delivery of rhBMP-2 may even enable engineered synthetic scaffolds to be used in place of autologous bone grafts for the treatment of critical size defects, eliminating risks associated with autologous tissue harvest. We here demonstrate that an osteoinductive scaffold, fabricated by combining a 3D printed rigid polymer/ceramic composite scaffold with an rhBMP-2-eluting collagen sponge can treat extremely large-scale segmental defects in a pilot feasibility study using a new sheep metatarsus fracture model stabilized with an intramedullary nail. Bone regeneration after 24 weeks was evaluated by micro-computed tomography, mechanical testing, and histological characterization. Load-bearing cortical bridging was achieved in all animals, with increased bone volume observed in sheep that received osteoinductive scaffolds compared to sheep that received an rhBMP-2-eluting collagen sponge alone.
Comparison of trifocal or hybrid multifocal-extended depth of focus intraocular lenses: a systematic review and meta-analysis
Authors: Zhong Yueyang , Wang Kai , Yu Xiaoning , Liu Xin , Yao Ke
Published: March 2021

This meta-analysis aimed to evaluate the clinical outcomes following implantation of trifocal intraocular lenses (IOLs) or a hybrid multifocal-extended depth of focus (EDOF) IOL in cataract or refractive lens exchange surgeries. We examined 13 comparative studies with bilateral implantation of trifocal (898 eyes) or hybrid multifocal-EDOF (624 eyes) IOLs published through 1 March 2020. Better uncorrected and corrected near visual acuity (VA) were observed in the trifocal group (MD: − 0.143, 95% CI: − 0.192 to − 0.010, P < 0.001 and MD: − 0.149, 95% CI: − 0.217 to − 0.082, P < 0.001, respectively), while the hybrid multifocal-EDOF group presented better uncorrected intermediate VA (MD: 0.055, 95% CI: 0.016 to 0.093, P = 0.005). Trifocal IOLs were more likely to achieve spectacle independence at near distance (RR: 1.103, 95% CI: 1.036 to 1.152, P = 0.002). The halo photic effect was generated more frequently by the trifocal IOLs (RR: 1.318, 95% CI: 1.025 to 1.696, P = 0.031). Contrast sensitivity and subjective visual quality yielded comparable results between groups. Trifocal IOLs demonstrated better performance at near distance but apparently led to more photic disturbances. Our findings provided the most up-to-date and comprehensive evidence by comparing the benefits of advanced IOLs in clinical practice.
The size-weight illusion is unimpaired in individuals with a history of congenital visual deprivation
Authors: Pant Rashi , Guerreiro Maria J. S. , Ley Pia , Bottari Davide , Shareef Idris , Kekunnaya Ramesh , Röder Brigitte
Published: March 2021

Visual deprivation in childhood can lead to lifelong impairments in multisensory processing. Here, the Size-Weight Illusion (SWI) was used to test whether visuo-haptic integration recovers after early visual deprivation. Normally sighted individuals perceive larger objects to be lighter than smaller objects of the same weight. In Experiment 1, individuals treated for dense bilateral congenital cataracts (who had no patterned visual experience at birth), individuals treated for developmental cataracts (who had patterned visual experience at birth, but were visually impaired), congenitally blind individuals and normally sighted individuals had to rate the weight of manually explored cubes that differed in size (Small, Medium, Large) across two possible weights (350 g, 700 g). In Experiment 2, individuals treated for dense bilateral congenital cataracts were compared to sighted individuals in a similar task using a string set-up, which removed haptic size cues. In both experiments, indistinguishable SWI effects were observed across all groups. These results provide evidence that early aberrant vision does not interfere with the development of the SWI, and suggest a recovery of the integration of size and weight cues provided by the visual and haptic modality.
A new fossil piddock (Bivalvia: Pholadidae) may indicate estuarine to freshwater environments near Cretaceous amber-producing forests in Myanmar
Authors: Bolotov Ivan N. , Aksenova Olga V. , Vikhrev Ilya V. , Konopleva Ekaterina S. , Chapurina Yulia E. , Kondakov Alexander V.
Published: March 2021

The lower Cenomanian Kachin amber from Myanmar contains a species-rich assemblage with numerous plant and animal fossils. Terrestrial and, to a lesser degree, freshwater species predominate in this assemblage, while a few taxa with marine affinities were also discovered, e.g. isopods, ammonites, and piddocks. Here, we describe the Kachin amber piddock †Palaeolignopholas kachinensis gen. & sp. nov. It appears to be an ancestral stem lineage of the recent Lignopholas piddocks, which are estuarine to freshwater bivalves, boring into wood and mudstone rocks. Frequent occurrences and high abundance of †Palaeolignopholas borings and preserved shells in the Kachin amber could indicate that the resin-producing forest was partly situated near a downstream (estuarine to freshwater) section of a river. Multiple records of freshwater invertebrates (caddisflies, mayflies, stoneflies, odonates, and chironomids) in this amber could also manifest in favor of our paleo-environmental reconstruction, although a variety of local freshwater environments is known to occur in coastal settings.
Coagulation factor IX analysis in bioreactor cell culture supernatant predicts quality of the purified product
Authors: Zacchi Lucia F. , Roche-Recinos Dinora , Pegg Cassandra L. , Phung Toan K. , Napoli Mark , Aitken Campbell , Sandford Vanessa , Mahler Stephen M. , Lee Yih Yean , Schulz Benjamin L. , Howard Christopher B.
Published: March 2021

Coagulation factor IX (FIX) is a complex post-translationally modified human serum glycoprotein and high-value biopharmaceutical. The quality of recombinant FIX (rFIX), especially complete γ-carboxylation, is critical for rFIX clinical efficacy. Bioreactor operating conditions can impact rFIX production and post-translational modifications (PTMs). With the goal of optimizing rFIX production, we developed a suite of Data Independent Acquisition Mass Spectrometry (DIA-MS) proteomics methods and used these to investigate rFIX yield, γ-carboxylation, other PTMs, and host cell proteins during bioreactor culture and after purification. We detail the dynamics of site-specific PTM occupancy and structure on rFIX during production, which correlated with the efficiency of purification and the quality of the purified product. We identified new PTMs in rFIX near the GLA domain which could impact rFIX GLA-dependent purification and function. Our workflows are applicable to other biologics and expression systems, and should aid in the optimization and quality control of upstream and downstream bioprocesses.
CRISPR activation screen in mice identifies novel membrane proteins enhancing pulmonary metastatic colonisation
Authors: van der Weyden Louise , Harle Victoria , Turner Gemma , Offord Victoria , Iyer Vivek , Droop Alastair , Swiatkowska Agnieszka , Rabbie Roy , Campbell Andrew D. , Sansom Owen J. , Pardo Mercedes , Choudhary Jyoti S. , Ferreira Ingrid , Tullett Mark , Arends Mark J. , Speak Anneliese O. , Adams David J.
Published: March 2021

Melanoma represents ~5% of all cutaneous malignancies, yet accounts for the majority of skin cancer deaths due to its propensity to metastasise. To develop new therapies, novel target molecules must to be identified and the accessibility of cell surface proteins makes them attractive targets. Using CRISPR activation technology, we screened a library of guide RNAs targeting membrane protein-encoding genes to identify cell surface molecules whose upregulation enhances the metastatic pulmonary colonisation capabilities of tumour cells in vivo. We show that upregulated expression of the cell surface protein LRRN4CL led to increased pulmonary metastases in mice. Critically, LRRN4CL expression was elevated in melanoma patient samples, with high expression levels correlating with decreased survival. Collectively, our findings uncover an unappreciated role for LRRN4CL in the outcome of melanoma patients and identifies a potential therapeutic target and biomarker.
Interaction of clinical-stage antibodies with heme predicts their physiochemical and binding qualities
Authors: Lecerf Maxime , Kanyavuz Alexia , Rossini Sofia , Dimitrov Jordan D.
Published: March 2021

Immunoglobulin repertoires contain a fraction of antibodies that recognize low molecular weight compounds, including some enzymes’ cofactors, such as heme. Here, by using a set of 113 samples with variable region sequences matching clinical-stage antibodies, we demonstrated that a considerable number of these antibodies interact with heme. Antibodies that interact with heme possess specific sequence traits of their antigen-binding regions. Moreover they manifest particular physicochemical and functional qualities i.e. increased hydrophobicity, higher propensity of self-binding, higher intrinsic polyreactivity and reduced expression yields. Thus, interaction with heme is a strong predictor of different molecular and functional qualities of antibodies. Notably, these qualities are of high importance for therapeutic antibodies, as their presence was associated with failure of drug candidates to reach clinic. Our study reveled an important facet of information about relationship sequence-function in antibodies. It also offers a convenient tool for detection of liabilities of therapeutic antibodies.
Elucidating the electronic structures of β-Ag2MoO4 and Ag2O nanocrystals via theoretical and experimental approaches towards electrochemical water splitting and CO2 reduction
Authors: Zareie-Darmian Afsaneh , Farsi Hossein , Farrokhi Alireza , Sarhaddi Reza , Li Zhihai
Published: March 2021

In this paper, we demonstrate a combined theoretical and experimental study on the electronic structure, and the optical and electrochemical properties of β-Ag2MoO4 and Ag2O as significant Ag-containing compounds.
Mechanisms of absorption of vitamin D3 delivered in protein nanoparticles in the absence and presence of fat
Authors: Cohen Yifat , Margier Marielle , Lesmes Uri , Reboul Emmanuelle , Livney Yoav D.
Published: March 2021

Our work provides evidences that a protein based nano-delivery system, such as casein-micelles, is a suitable alternative to fat-droplets for the enrichment of nonfat foods and beverages with VD or other hydrophobic nutraceuticals.
Bright aspects of defects and dark traits of dopants in the photoluminescence of Er2X2O7:Eu3+ (X = Ti and Zr) pyrochlore: an insight using EXAFS, positron annihilation and DFT
Authors: Gupta Santosh K. , Sudarshan K. , Jena Paramananda , Ghosh P. S. , Yadav A. K. , Jha S. N. , Bhattacharyya D.
Published: March 2021

This work investigated the origin of blue PL in undoped and absence of Eu3+ red PL in the doped Er2X2O7 (X = Ti and Zr) pyrochlore using photon, positron and X-ray as spectroscopic probe and further complimenting with DFT.
Mechanistic models of microbial community metabolism
Authors: Dillard Lillian R. , Payne Dawson D. , Papin Jason A.
Published: March 2021

Microbial communities affect many facets of human health and well-being. Naturally occurring bacteria, whether in nature or the human body, rarely exist in isolation.
Effects of spin–phonon coupling on two-dimensional ferromagnetic semiconductors: a case study of iron and ruthenium trihalides
Authors: Liu Yinqiao , Liu Qinxi , Liu Ying , Jiang Xue , Zhang Xiaoliang , Zhao Jijun
Published: March 2021

We discuss the mechanisms of spin–phonon coupling (SPC) in 2D MX3 (M = Fe, Ru; X = Cl, Br, I), and find that the spin induced thermal conductivity variation ranges from −130% to 573%, showing a strong composition effect.
Upconversion nanoparticles modified by Cu2S for photothermal therapy along with real-time optical thermometry
Authors: Xiang Guotao , Xia Qing , Liu Xiaotong , Wang Yongjie , Jiang Sha , Li Li , Zhou Xianju , Ma Li , Wang Xiaojun , Zhang Jiahua
Published: March 2021

Effective photothermal conversion is realized with NaScF4: Yb3+/Er3+/Mn2+@NaScF4@SiO2@Cu2S nanoparticles along with high resolution optical thermometry in real time.
Fabrication and application of macroscopic nanowire aerogels
Authors: Niu Yutong , Li Fuzhong , Zhao Wuxi , Cheng Wei
Published: March 2021

We provide a comprehensive review on the latest advances in three-dimensional macroscopic aerogels assembled from one-dimensional inorganic nanowires.
Developments in waste tyre thermochemical conversion processes: gasification, pyrolysis and liquefaction
Authors: Nkosi N. , Muzenda E. , Gorimbo J. , Belaid M.
Published: March 2021

Fossil fuels, particularly crude oil, have proven to be a source of energy to households, transportation and power industries over the past decades.
Synergistic influence of mesoporous spinel nickel ferrite on the electrocatalytic activity of nano-structured palladium
Authors: Kaedi Fariba , Yavari Zahra , Abbasian Ahmad Reza , Asmaei Milad , Kerman Kagan , Noroozifar Meissam
Published: March 2021

Structure and surface area are critical factors for catalysts in fuel cells.
Selective hydrogenation of oleic acid to fatty alcohols over a Rh–Sn–B/Al2O3 catalyst: kinetics and optimal reaction conditions
Authors: Fonseca Benítez Cristhian A. , Mazzieri Vanina A. , Vera Carlos R. , Benitez Viviana M. , Pieck Carlos L.
Published: March 2021

The selective hydrogenation of oleic acid to oleyl alcohol over a Rh(1 wt%)–Sn(4 wt%)–B/Al2O3 catalyst was studied. A comprehensive set of experimental data was used for elucidating the reaction mechanism.
Hyperpolarisation of weakly binding N-heterocycles using signal amplification by reversible exchange
Authors: Rayner Peter J. , Gillions Joseph P. , Hannibal Valentin D. , John Richard O. , Duckett Simon B.
Published: March 2021

The scope of the hyperpolarisation method Signal Amplification by Reversible Exchange (SABRE) is dramatically expanded through the use of co-ligands to substrates that weakly interact with the active cataylst.
Ultra-high energy storage density and scale-up of antiferroelectric TiO2/ZrO2/TiO2 stacks for supercapacitors
Authors: Yi Sheng-Han , Lin Hsin-Chih , Chen Miin-Jang
Published: March 2021

Superior energy storage density and efficiency along with excellent scalability are simultaneously achieved in the TiO2/ZrO2/TiO2 antiferroelectric stack.
Broadband white luminescent phosphor Ba(Si7−xAlx)Liy(N10−x+yOx−y):Eu2+ with a high color rendering index for solid state lighting
Authors: Takeda Takashi , Funahashi Shiro , Xie Rong-Jun , Hirosaki Naoto
Published: March 2021

Broadband white luminescent particles by introducing Li into the crystal structure of Ba(Si7−xAlx)(N10−xOx):Eu2+.
Ferroelectric state and polarization switching behaviour of ultrafine BaTiO3 nanoparticles with large-scale size uniformity
Authors: Hao Yanan , Feng Zunpeng , Banerjee Soham , Wang Xiaohui , Billinge Simon J. L. , Wang Jiesu , Jin Kuijuan , Bi Ke , Li Longtu
Published: March 2021

A coherently non-centrosymmetric structure and remarkable macroscopic ferroelectric response of 4.5 nm BTO nanocrystals are reported.
Perovskite nanocrystal doped all-inorganic glass for X-ray scintillators
Authors: Xu Yinsheng , Zhao Xudong , Xia Mengling , Zhang Xianghua
Published: March 2021

Perovskite nanocrystal doped all-inorganic glass shows good X-ray response and fast decay as well as excellent stability, resulting in good scintillator performance for various X-ray detection scenarios.
Single microbead-based fluorescent aptasensor (SMFA) for direct isolation and in situ quantification of exosomes from plasma
Authors: Wang Fangfang , Zhang Yi , Chen Desheng , Zhang Zhuoqi , Li Zhengping
Published: March 2021

A single microbead (MB)-based fluorescent aptasensor (SMFA) for exosome detection is proposed.
TiO2 nanotube arrays decorated with BiOBr nanosheets by the SILAR method for photoelectrochemical sensing of H2O2
Authors: Li Mingqing , Li Li , Li Boya , Zhai Liying , Wang Baohui
Published: March 2021

Based on a two-step anodic oxidation method and successive ionic layer adsorption (SILAR) method, a TiO2 nanotube array (TNT) PEC sensor modified with BiOBr nanosheets was constructed.
Monoclonal antibody-based icELISA for the screening of diazinon in vegetable samples
Authors: Wu Hui-Ling , Wang Bing-Zhi , Wang Yu , Xiao Zhi-Li , Luo Lin , Chen Zi-Jian , Shen Yu-Dong , Xu Zhen-Lin
Published: March 2021

Diazinon (DAZ) is an organophosphorus pesticide (OP), which is commonly used to prevent and control harmful pests that endanger agricultural products.
A novel method for the rapid sensing of H2O2using a colorimetric AuNP probe and its DFT study
Authors: Borah Nirangkush , Boruah Purna K. , Kalita Amlan Jyoti , Guha Ankur K. , Das Manash R. , Tamuly Chandan
Published: March 2021

A simple novel method for the sensing of peroxide using a colorimetric probe of AuNPs synthesised byElsholtzia blandaBenth. is reported here. The limit of detection (LoD) value in peroxide sensing was found to be 0.7435 μM and the mechanism was supported by DFT.
Versatile fluorinated Pd@Au nanoplates doped with yttrium for tumor theranostics
Authors: Jiang Hailong , Li Jingchao , Shi Changrong , Ming Jiang , Zhang Deliang , Zhuang Rongqiang , Guo Zhide , Zhang Xianzhong
Published: March 2021

This study highlights the FY-Pd@Au NCs for highly efficient theranostic applications and provides a new paradigm to exploit to potential of 19F MRI probes.
Enamides and dienamides in phosphoric acid-catalysed enantioselective cycloadditions for the synthesis of chiral amines
Authors: Varlet Thomas , Masson Géraldine
Published: March 2021

This feature article describes how enamides and dienamides can participate in chiral phosphoric acid catalyzed enantioselective cycloadditions to prepare a wide range of cyclic amines.
Dynamical theory for the battery's electromotive force
Authors: Alicki Robert , Gelbwaser-Klimovsky David , Jenkins Alejandro , von Hauff Elizabeth
Published: March 2021

We propose a dynamical theory of how the chemical energy stored in a battery generates the electromotive force (emf).
Photochemistry using a host–guest charge transfer paradigm: DMABN as a dynamical probe of ground and excited states
Authors: Gera Rahul , Dasgupta Jyotishman
Published: March 2021

Dimethylaminobenzonitrile (DMABN) is used as a molecular probe of structural and dynamical aspects of a water-soluble host–guest charge transfer complex.
Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects
Authors: Surov Artem O. , Voronin Alexander P. , Drozd Ksenia V. , Gruzdev Matvey S. , Perlovich German L. , Prashanth Jupally , Balasubramanian Sridhar
Published: March 2021

Attempts to obtain new cocrystals of nonsteroidal antiandrogenic drug nilutamide produced alternative polymorphic forms of the compound (Form II and Form III) and their crystal structures were elucidated by single-crystal X-ray diffraction.
The roles of metal species supported on Fe3O4 aerogel for photoassisted 4-nitrophenol reduction and benzoic acid oxidation
Authors: Hu Chechia , Hung Yi-Chan , Tseng Pin-Yo , Yang Zhen-Jie , Lin Yi-Feng , Nguyen Van-Huy
Published: March 2021

Metal-supported Fe3O4 aerogel is employed for photoassisted 4-NP reduction and benzoic acid oxidation.
A solution to break the salt barrier for high-rate sustainable solar desalination
Authors: Zhu Lin , Sun Lei , Zhang Hong , Aslan Hüsnü , Sun Ye , Huang Yudong , Rosei Federico , Yu Miao
Published: March 2021

We present a strategy to break the salt barrier for sustainable solar steam generation from seawater, by constructing an efficient water–salt loop and employing a highly porous, super-hydrophobic material with high photothermal conversion capability.
Study on the online detection of atmospheric sulfur via laser-induced breakdown spectroscopy
Authors: Zhang Qihang , Chen Yu , Liu Yuzhu
Published: March 2021

A novel laser-induced breakdown spectroscopy experimental apparatus specializing in the detection of gas sample has been developed and applied to the direct online detection of atmospheric sulfur for the first time.
Determination of mercury (thimerosal) in vaccines using different oxidants and cold vapor atomic fluorescence spectrometry in dilute acids
Authors: de Oliveira Maria Janaína , Cunha Francisco Antônio S. , Caldas Santos Josué C.
Published: March 2021

A simple and fast method was developed for the determination of thimerosal (TH) in vaccines based on decomposition through the oxidizing systems of the organic mercury compound to inorganic mercury (Hgino) using CV AFS for detection.
Magnetic hydroxyapatite nanomaterial–cyclodextrin tethered polymer hybrids as anticancer drug carriers
Authors: Ramasamy Sivaraj , Dhamecha Dinesh , Kaliyamoorthi Kiruthiga , Pillai Archana Sumohan , Alexander Aleyamma , Dhanaraj Premnath , Menon Jyothi U. , Enoch Israel V. Muthu Vijayan
Published: March 2021

Osteosarcoma, the most common bone cancer, leads to a poor survival rate of patients. Drug targeting employing hydroxyapatite (HAp)-based nanocarriers represents a fascinating choice for non-invasive treatment of osteosarcoma.
Hierarchical nano-porous biochar prepared by a MgO template method for high performance of PNP adsorption
Authors: Li Honghai , Li Xiaoke , Ding Junwei , Li Xin , Zhao Wenting , Liu Mengxiao , Yu Wenlong
Published: March 2021

Hierarchical nano-porous biochar (HNBC) derived from Enteromorpha prolifera (EP) was prepared using a facile MgO templated strategy, which exhibits a remarkable adsorption performance forp-nitrophenol (PNP).
Preparation ofp-aminobenzoic acid grafted TiOxsemiconductive aerogels for photocatalytic reduction of CO2to methanol
Authors: Bie Shaohong , Liu Qingqing , Wen Man , Ye Xiangzhi , Xiong Chunrong
Published: March 2021

A PABA grafted Tixaerogel has both porous and semiconductive properties. The porosity, band gap, conductivity and even PL intensity of the aerogel are adjustable. The aerogel exhibited efficient photocatalytic performance in reduction of CO2.
Conflux of tunable Rashba effect and piezoelectricity in flexible magnesium monochalcogenide monolayers for next-generation spintronic devices
Authors: Mohanta Manish Kumar , Arora Anu , De Sarkar Abir
Published: March 2021

Intertwining of Rashba and piezoelectric effects in MgX monolayers for next generation self-powered flexible spintronic devices.
A yolk–shell Fe3O4@void@carbon nanochain as shuttle effect suppressive and volume-change accommodating sulfur host for long-life lithium–sulfur batteries
Authors: Zhou Ting , Shen Zihan , Wu Yong , Han Tianli , Zhu Mengfei , Qiao Xue , Zhu Yajun , Zhang Huigang , Liu Jinyun
Published: March 2021

A yolk–shell Fe3O4@S@C nanochain in which sulfur is encapsulated between the Fe3O4 core and the carbon shell is developed for Li–S batteries.
Cocrystallization-driven stabilization of metastable nanoclusters: a case study of Pd1Au9
Authors: Shen Honglei , Wei Xiao , Xu Chao , Jin Shan , Wang Shuxin , Kang Xi , Zhu Manzhou
Published: March 2021

Based on a case study of the Pd1Au9 nanocluster, a “cocrystallization-driven stabilization” approach to stabilize metastable nanoclusters and then determine their atomically precise structures is presented.
Rapid collagen-directed mineralization of calcium fluoride nanocrystals with periodically patterned nanostructures
Authors: Fang Weijian , Ping Hang , Wagermaier Wolfgang , Jin Shenbao , Amini Shahrouz , Fratzl Peter , Sha Gang , Xia Fanjie , Wu Jinsong , Xie Hao , Zhai Pengcheng , Wang Weimin , Fu Zhengyi
Published: March 2021

An amorphous calcium fluoride phase infiltrates collagen fibrils from gap zones and transforms into a periodically patterned nanostructure. These arranged nanocrystals expand gradually into the remaining space within the collagen fibrils.
PET/Ag NW/PMMA transparent electromagnetic interference shielding films with high stability and flexibility
Authors: Zhu Xingzhong , Guo Aoqi , Yan Zhiyang , Qin Feng , Xu Juan , Ji Yanda , Kan Caixia
Published: March 2021

A highly stable and flexible transparent electromagnetic interference shielding film is realized based on silver nanowire by integrating a polymer layer.
Electrochemical synthesis of sulfonated benzothiophenes using 2-alkynylthioanisoles and sodium sulfinates
Authors: Zhang Ming-Ming , Sun Yu , Wang Wan-Wan , Chen Kang-Kang , Yang Wen-Chao , Wang Lei
Published: March 2021

Electrochemical sulfonylation/cyclization of 2-alkynylthioanisoles with sodium sulfinates was developed under catalyst-, external oxidant- and metal-free conditions.
Polyamides containing a biorenewable aromatic monomer based on coumalate esters: from synthesis to evaluation of the thermal and mechanical properties
Authors: Stouten Jules , Wróblewska Aleksandra A. , Grit Glenn , Noordijk Jurrie , Gebben Bert , Meeusen-Wierts Monique H. M. , Bernaerts Katrien V.
Published: March 2021

A new biobased alternative for terephthalic acid (TPA) in (semi-)aromatic polyamides is proposed, namely 4-carboxybenzene propionic acid (4CBPA).
Cross-linked polyurethane with dynamic phenol-carbamate bonds: properties affected by the chemical structure of isocyanate
Authors: Shi Jiaxin , Zheng Tianze , Zhang Yao , Guo Baohua , Xu Jun
Published: March 2021

Based on the phenol–carbamate dynamic bond, we designed a strategy to regulate the rearrangement kinetics of the dynamic covalent network in polyurethanes by adjusting the chemical structure of aliphatic isocyanates.
Supramolecular-micelle-directed preparation of uniform magnetic nanofibers with length tunability, colloidal stability and capacity for surface functionalization
Authors: Tian Mingwei , Ma Chen , Huang Xiaoyu , Lu Guolin , Feng Chun
Published: March 2021

We report a versatile and efficient platform to prepare uniform magnetic nanofibers with length tunability, colloidal and morphological stability, capacity for surface functionalization and enhanced T2 contrast.
High molar mass poly(ricinoleic acid) via entropy-driven ring-opening metathesis polymerization
Authors: Ogawa Ryohei , Hillmyer Marc A.
Published: March 2021

High molar mass poly(ricinoleic acid) was synthesized via entropy-driven ring-opening metathesis polymerization of mono-, di- and mixed macrolactones of ricinoleic acid using a Grubbs second-generation catalyst and fully characterized.
Approaching full-range selectivity control in CO2 hydrogenation to methanol and carbon monoxide with catalyst composition regulation
Authors: Yao Libo , Pan Yanbo , Wu Dezhen , Li Jialu , Xie Rongxuan , Peng Zhenmeng
Published: March 2021

P-Modified In2O3 with composition regulation for approaching full-range selectivity control in CO2 hydrogenation to methanol and carbon monoxide.
Rubbing-assisted approach for highly-oriented collagen fibril arrays involving calcium phosphate precipitation
Authors: Chai Yadong , Okuda Mitsuhiro , Miyata Mari , Liu Zizhen , Tagaya Motohiro
Published: March 2021

Highly-ordered homogeneous collagen fibril arrays were successfully fabricated on a rubbed polyimide film for precipitating calcium phosphate.
Grignard coupling-based synthesis of vinyl-substituted hydridopolycarbosilane: effect of starting material and polymerization behavior
Authors: Jeong Minji , Choi Moon-Gun , Lee Yoonjoo
Published: March 2021

Polymerization of VHPCS by the Grignard coupling reaction depended on the type of starting material. In the case of Cl3SiCH2Cl starting material, a stepwise growth manner was shown, due to a coupling between –CH2Cl and the Si–Cl sites.
Surface modification and functionalization of powder materials by atomic layer deposition: a review
Authors: Hu Yiyun , Lu Jian , Feng Hao
Published: March 2021

Atomic layer deposition is a technique where gaseous precursors are used to form materials via self-limiting surface reactions. This allows conformal deposition materials on a high surface area support at the atomic level, and materials can by precisely constructed.
2-Amino-3,5-dicarbonitrile-6-sulfanylpyridines: synthesis and multiple biological activity – a review
Authors: Akhmadiev Nail S. , Akhmetova Vnira R. , Ibragimov Askhat G.
Published: March 2021

The latest advances in the catalytic synthesis of biologically active compounds with 2-amino-3,5-dicarbonitrile-6-sulfanylpyridine scaffold via the multicomponent reactions of malononitrile have been discussed.
Isolation, semi-synthesis, docking-based prediction, and bioassay-based activity of Dolichandrone spathacea iridoids: new catalpol derivatives as glucosidase inhibitors
Authors: Phuong Thao Tran Thi , Bui Thanh Q. , Quy Phan Tu , Bao Nguyen Chi , Van Loc Tran , Van Chien Tran , Chi Nguyen Linh , Van Tuan Nguyen , Van Sung Tran , Ai Nhung Nguyen Thi
Published: March 2021

Dolichandrone spathacea catalpol derivatives as glucosidase inhibitors: in silico and in vitro research.
Microwave-assisted xylanase reaction: impact in the production of prebiotic xylooligosaccharides
Authors: Mobarec Hugo , Villagomez Rodrigo , Nordberg Karlsson Eva , Linares-Pastén Javier A.
Published: March 2021

The microwave-assisted reaction markedly decreases the xylose content in the hydrolysates and significantly increases the yield of XOS, compared to conventional heating.
The influence of terpenes on the release of volatile organic compounds and active ingredients to cannabis vaping aerosols
Authors: Meehan-Atrash Jiries , Luo Wentai , McWhirter Kevin J. , Dennis David G. , Sarlah David , Jensen Robert P. , Afreh Isaac , Jiang Jia , Barsanti Kelley C. , Ortiz Alisha , Strongin Robert M.
Published: March 2021

Cannabinoid and VOC emissions from vaping cannabis concentrates vary depending on terpene content, power level and consumption method.
Metal–metal bonded alkaline-earth distannyls
Authors: Chapple Peter M. , Cartron Julien , Hamdoun Ghanem , Kahlal Samia , Cordier Marie , Oulyadi Hassan , Carpentier Jean-François , Saillard Jean-Yves , Sarazin Yann
Published: March 2021

The complete series of heterobimetallic alkaline-earth distannyls [Ae{SnR3}2·(thf)x] (Ae = Ca, Sr, Ba) have been prepared for R = Ph and SiMe3, and their bonding and electronic properties have been comprehensively investigated.
Electrochemically driven stereoselective approach to syn-1,2-diol derivatives from vinylarenes and DMF
Authors: Chung Da Sol , Park Steve H , Lee Sang-gi , Kim Hyunwoo
Published: March 2021

An electrochemical method that provides an operationally simple synthesis of masked syn-1,2-diols from styrenes and DMF has reported. The TFA ion is engaged in the formation of a key intermediate, which gives rise predominantly to syn-selectivity.