bluuebunny/crossref_metadata_2025 huggingface dataset:
Prediction of lithium response using genomic data
Authors: Stone William , Nunes Abraham , Akiyama Kazufumi , Akula Nirmala , Ardau Raffaella , Aubry Jean-Michel , Backlund Lena , Bauer Michael , Bellivier Frank , Cervantes Pablo , Chen Hsi-Chung , Chillotti Caterina , Cruceanu Cristiana , Dayer Alexandre , Degenhardt Franziska , Del Zompo Maria , Forstner Andreas J. , Frye Mark , Fullerton Janice M. , Grigoroiu-Serbanescu Maria , Grof Paul , Hashimoto Ryota , Hou Liping , Jiménez Esther , Kato Tadafumi , Kelsoe John , Kittel-Schneider Sarah , Kuo Po-Hsiu , Kusumi Ichiro , Lavebratt Catharina , Manchia Mirko , Martinsson Lina , Mattheisen Manuel , McMahon Francis J. , Millischer Vincent , Mitchell Philip B. , Nöthen Markus M. , O’Donovan Claire , Ozaki Norio , Pisanu Claudia , Reif Andreas , Rietschel Marcella , Rouleau Guy , Rybakowski Janusz , Schalling Martin , Schofield Peter R. , Schulze Thomas G. , Severino Giovanni , Squassina Alessio , Veeh Julia , Vieta Eduard , Trappenberg Thomas , Alda Martin
Published: January 2021

Predicting lithium response prior to treatment could both expedite therapy and avoid exposure to side effects. Since lithium responsiveness may be heritable, its predictability based on genomic data is of interest. We thus evaluate the degree to which lithium response can be predicted with a machine learning (ML) approach using genomic data. Using the largest existing genomic dataset in the lithium response literature (n = 2210 across 14 international sites; 29% responders), we evaluated the degree to which lithium response could be predicted based on 47,465 genotyped single nucleotide polymorphisms using a supervised ML approach. Under appropriate cross-validation procedures, lithium response could be predicted to above-chance levels in two constituent sites (Halifax, Cohen’s kappa 0.15, 95% confidence interval, CI [0.07, 0.24]; and Würzburg, kappa 0.2 [0.1, 0.3]). Variants with shared importance in these models showed over-representation of postsynaptic membrane related genes. Lithium response was not predictable in the pooled dataset (kappa 0.02 [− 0.01, 0.04]), although non-trivial performance was achieved within a restricted dataset including only those patients followed prospectively (kappa 0.09 [0.04, 0.14]). Genomic classification of lithium response remains a promising but difficult task. Classification performance could potentially be improved by further harmonization of data collection procedures.
Fast 3 T nigral hyperintensity magnetic resonance imaging in Parkinson’s disease
Authors: Hernadi Gabriella , Pinter David , Nagy Szilvia Anett , Orsi Gergely , Komoly Samuel , Janszky Jozsef , Kovacs Norbert , Perlaki Gabor
Published: January 2021

The absence of nigral hyperintensity is a promising MR marker for Parkinson’s disease (PD), but its small size imposes limitations on its routine use. Our aim was to compare Multi Echo Data Image Combination (MEDIC), segmented echo-planar imaging (EPISEG) and fluid-attenuated inversion recovery (FLAIR) sequences, as well as both magnitude (MAG) and susceptibility-weighted imaging (SWI) reconstructions of single-echo gradient echo for nigral hyperintensity imaging. Twenty-five healthy and twenty PD subjects were included. Sensitivity to motion artefacts, confidence of the radiologist in interpretation, rate of nondiagnostic scans and diagnostic accuracy were assessed. EPISEG was less motion-sensitive than MEDIC, MAG, and SWI, while FLAIR was less motion-sensitive than MAG and SWI. The reviewers were more confident when using EPISEG compared to any other techniques and MEDIC was superior to FLAIR. The proportions of nondiagnostic scans were lower for EPISEG than for other sequences. The best diagnostic performance was achieved for EPISEG (sensitivity = 65%, specificity = 96%). Using EPISEG, the absence of nigral hyperintensity in PD was associated with higher Hoehn-Yahr stage and MDS-UPDRS II + III. Nigral hyperintensity may be intact at the very early stages of PD. The promising properties of EPISEG may help the transfer of nigral hyperintensity imaging into daily clinical practice.
Computational fluid dynamics for enhanced tracheal bioreactor design and long-segment graft recellularization
Authors: Lee Hankyu , Marin-Araujo Alba E. , Aoki Fabio G. , Haykal Siba , Waddell Thomas K. , Amon Cristina H. , Romero David A. , Karoubi Golnaz
Published: January 2021

Successful re-epithelialization of de-epithelialized tracheal scaffolds remains a challenge for tracheal graft success. Currently, the lack of understanding of the bioreactor hydrodynamic environment, and its relation to cell seeding outcomes, serve as major obstacles to obtaining viable tracheal grafts. In this work, we used computational fluid dynamics to (a) re-design the fluid delivery system of a trachea bioreactor to promote a spatially uniform hydrodynamic environment, and (b) improve the perfusion cell seeding protocol to promote homogeneous cell deposition. Lagrangian particle-tracking simulations showed that low rates of rotation provide more uniform circumferential and longitudinal patterns of cell deposition, while higher rates of rotation only improve circumferential uniformity but bias cell deposition proximally. Validation experiments with human bronchial epithelial cells confirm that the model accurately predicts cell deposition in low shear stress environments. We used the acquired knowledge from our particle tracking model, as a guide for long-term tracheal repopulation studies. Cell repopulation using conditions resulting in low wall shear stress enabled enhanced re-epithelialization of long segment tracheal grafts. While our work focuses on tracheal regeneration, lessons learned in this study, can be applied to culturing of any tissue engineered tubular scaffold.
Novel Iodine nanoparticles target vascular mimicry in intracerebral triple negative human MDA-MB-231 breast tumors
Authors: Ridwan Sharif M. , Hainfeld James F. , Ross Vanessa , Stanishevskiy Yaroslav , Smilowitz Henry M.
Published: January 2021

Triple negative breast cancer (TNBC), ~ 10–20% of diagnosed breast cancers, metastasizes to brain, lungs, liver. Iodine nanoparticle (INP) radioenhancers specifically localize to human TNBC MDA-MB-231 tumors growing in mouse brains after iv injection, significantly extending survival of mice after radiation therapy (RT). A prominent rim of INP contrast (MicroCT) previously seen in subcutaneous tumors but not intracerebral gliomas, provide calculated X-ray dose-enhancements up to > eightfold. Here, MDA-MB-231-cells, INPs, CD31 were examined by fluorescence confocal microscopy. Most INP staining co-localized with CD31 in the tumor center and periphery. Greatest INP/CD31 staining was in the tumor periphery, the region of increased MicroCT contrast. Tumor cells are seen to line irregularly-shaped spaces (ISS) with INP, CD31 staining very close to or on the tumor cell surface and PAS stain on their boundary and may represent a unique form of CD31-expressing vascular mimicry in intracerebral 231-tumors. INP/CD31 co-staining is also seen around ISS formed around tumor cells migrating on CD31+ blood-vessels. The significant radiation dose enhancement to the prolific collagen I containing, INP-binding ISS found throughout the tumor but concentrated in the tumor rim, may contribute significantly to the life extensions observed after INP-RT; VM could represent a new drug/NP, particularly INP, tumor-homing target.
Odontogenesis-associated phosphoprotein truncation blocks ameloblast transition into maturation in OdaphC41*/C41* mice
Authors: Liang Tian , Hu Yuanyuan , Kawasaki Kazuhiko , Zhang Hong , Zhang Chuhua , Saunders Thomas L. , Simmer James P. , Hu Jan C.-C.
Published: January 2021

Mutations of Odontogenesis-Associated Phosphoprotein (ODAPH, OMIM *614829) cause autosomal recessive amelogenesis imperfecta, however, the function of ODAPH during amelogenesis is unknown. Here we characterized normal Odaph expression by in situ hybridization, generated Odaph truncation mice using CRISPR/Cas9 to replace the TGC codon encoding Cys41 into a TGA translation termination codon, and characterized and compared molar and incisor tooth formation in Odaph+/+, Odaph+/C41*, and OdaphC41*/C41* mice. We also searched genomes to determine when Odaph first appeared phylogenetically. We determined that tooth development in Odaph+/+ and Odaph+/C41* mice was indistinguishable in all respects, so the condition in mice is inherited in a recessive pattern, as it is in humans. Odaph is specifically expressed by ameloblasts starting with the onset of post-secretory transition and continues until mid-maturation. Based upon histological and ultrastructural analyses, we determined that the secretory stage of amelogenesis is not affected in OdaphC41*/C41* mice. The enamel layer achieves a normal shape and contour, normal thickness, and normal rod decussation. The fundamental problem in OdaphC41*/C41* mice starts during post-secretory transition, which fails to generate maturation stage ameloblasts. At the onset of what should be enamel maturation, a cyst forms that separates flattened ameloblasts from the enamel surface. The maturation stage fails completely.
The impact of smoking different tobacco types on the subgingival microbiome and periodontal health: a pilot study
Authors: Al Kawas Sausan , Al-Marzooq Farah , Rahman Betul , Shearston Jenni A. , Saad Hiba , Benzina Dalenda , Weitzman Michael
Published: January 2021

Smoking is a risk factor for periodontal disease, and a cause of oral microbiome dysbiosis. While this has been evaluated for traditional cigarette smoking, there is limited research on the effect of other tobacco types on the oral microbiome. This study investigates subgingival microbiome composition in smokers of different tobacco types and their effect on periodontal health. Subgingival plaques were collected from 40 individuals, including smokers of either cigarettes, medwakh, or shisha, and non-smokers seeking dental treatment at the University Dental Hospital in Sharjah, United Arab Emirates. The entire (~ 1500 bp) 16S rRNA bacterial gene was fully amplified and sequenced using Oxford Nanopore technology. Subjects were compared for the relative abundance and diversity of subgingival microbiota, considering smoking and periodontal condition. The relative abundances of several pathogens were significantly higher among smokers, such as Prevotella denticola and Treponema sp. OMZ 838 in medwakh smokers, Streptococcus mutans and Veillonella dispar in cigarette smokers, Streptococcus sanguinis and Tannerella forsythia in shisha smokers. Subgingival microbiome of smokers was altered even in subjects with no or mild periodontitis, probably making them more prone to severe periodontal diseases. Microbiome profiling can be a useful tool for periodontal risk assessment. Further studies are recommended to investigate the impact of tobacco cessation on periodontal disease progression and oral microbiome.
Connecting complex networks to nonadditive entropies
Authors: de Oliveira R. M. , Brito Samuraí , da Silva L. R. , Tsallis Constantino
Published: January 2021

Boltzmann–Gibbs statistical mechanics applies satisfactorily to a plethora of systems. It fails however for complex systems generically involving nonlocal space–time entanglement. Its generalization based on nonadditive q-entropies adequately handles a wide class of such systems. We show here that scale-invariant networks belong to this class. We numerically study a d-dimensional geographically located network with weighted links and exhibit its ‘energy’ distribution per site at its quasi-stationary state. Our results strongly suggest a correspondence between the random geometric problem and a class of thermal problems within the generalised thermostatistics. The Boltzmann–Gibbs exponential factor is generically substituted by its q-generalisation, and is recovered in the $$q=1$$

q
=
1

limit when the nonlocal effects fade away. The present connection should cross-fertilise experiments in both research areas.
Safety assessment of genetically modified rice expressing Cry1Ab protein in Sprague–Dawley rats
Authors: Hajimohammadi Bahador , Eslami Gilda , Zandi Hengameh , Ehrampoush Mohammad Hassan , Naimi Azar , Derakhshan Maryam , Hedayat Pegah , Fallahi Roozbeh , Fallahzadeh Hossein , Rezvani Mohammad Ebrahim , Vakili Mahmoud , Moshtaghioun Seyed Mohammad , Athari Seyyed Shamsadin , Asadi-Yousefabad Seyedeh Leili , Hosseini Saeedeh Sadat , Shirdeli Mehrnoush , Ahmadian Salman , Mortazavi Shirin , Loni Elahe , Ajamein Vahid , Ahmadi Amin , Askari Vahideh
Published: January 2021

Rice is considered one of the most important staple food crops. Genetically modified (GM) Bt rice, harbored cry1Ab gene expressing the insect-resistance protein has been developed to resistance to the insects. In this study, we assessed the safety of the GM Bt rice on Sprague–Dawley rats for 90 days. Totally, 120 rats in both sexes were used for three different diets, including 50% GM Bt rice, feeding with 50% rice, and standard feeding. Each 40 SD rats including 20 males and 20 females were considered as each diet. The clinical variables such as body weight and food consumption were measured and a range of clinical tests was examined, including hematology, serum chemistry parameters, urinalysis profile, thyroid, and sex hormone levels. Pathological assessments were also done. The results showed that the mean weekly feed utilization (%) had no significant difference among the studied groups. Also, blood biochemistry, hematological parameters, urine analysis, and hormonal levels had no significant differences among the groups. However, alanine aminotransferase was less in males versus female feeding with GM Bt rice. No histopathological changes were observed among the groups. In conclusion, this study demonstrated that GM Bt rice had no obvious adverse effects on rats' health.
Color and contrast vision in mouse models of aging and Alzheimer’s disease using a novel visual-stimuli four-arm maze
Authors: Vit Jean-Philippe , Fuchs Dieu-Trang , Angel Ariel , Levy Aharon , Lamensdorf Itschak , Black Keith L. , Koronyo Yosef , Koronyo-Hamaoui Maya
Published: January 2021

We introduce a novel visual-stimuli four-arm maze (ViS4M) equipped with spectrally- and intensity-controlled LED emitters and dynamic grayscale objects that relies on innate exploratory behavior to assess color and contrast vision in mice. Its application to detect visual impairments during normal aging and over the course of Alzheimer’s disease (AD) is evaluated in wild-type (WT) and transgenic APPSWE/PS1∆E9 murine models of AD (AD+) across an array of irradiance, chromaticity, and contrast conditions. Substantial color and contrast-mode alternation deficits appear in AD+ mice at an age when hippocampal-based memory and learning is still intact. Profiling of timespan, entries and transition patterns between the different arms uncovers variable AD-associated impairments in contrast sensitivity and color discrimination, reminiscent of tritanomalous defects documented in AD patients. Transition deficits are found in aged WT mice in the absence of alternation decline. Overall, ViS4M is a versatile, controlled device to measure color and contrast-related vision in aged and diseased mice.
N-Acetylcysteine improves intestinal function and attenuates intestinal autophagy in piglets challenged with β-conglycinin
Authors: Wang Huiyun , Li Chengcheng , Peng Meng , Wang Lei , Zhao Di , Wu Tao , Yi Dan , Hou Yongqing , Wu Guoyao
Published: January 2021

β-Conglycinin (β-CG), an anti-nutritional factor, is a major allergen in soybeans to induce intestinal dysfunction and diarrhea in neonatal animals, including piglets and human infants. This study with a piglet model determined the effects of N-acetylcysteine (NAC) on intestinal function and autophagy in response to β-CG challenge. Twenty-four 12-day-old piglets (3.44 ± 0.28 kg), which had been weaned at 7 days of age and adapted for 5 days after weaning, were randomly allocated to the control, β-CG, and β-CG + NAC groups. Piglets in the control group were fed a liquid diet containing 10% casein, whereas those in the β-CG and β-CG + NAC groups were fed the basal liquid diets containing 9.5% casein and 0.5% β-CG for 2 days. Thereafter, pigs in the β-CG + NAC group were orally administrated with 50 mg (kg BW)−1 NAC for 3 days, while pigs in the other two groups were orally administrated with the same volume of sterile saline. NAC numerically reduced diarrhea incidence (− 46.2%) and the concentrations of hydrogen peroxide and malondialdehyde, but increased claudin-1 and intestinal fatty-acid binding protein (iFABP) protein abundances and activities of catalase and glutathione peroxidase in the jejunum of β-CG-challenged piglets. Although β-CG challenge decreased the villus height, villus height/crypt depth ratio, and mRNA levels of claudin-1 and occludin, no significant differences were observed in these indices between the control and β-CG + NAC groups, suggesting the positive effects of NAC supplementation on intestinal mucosal barrier function. Moreover, NAC increased the concentrations of citrulline and D-xylose in the plasma, as well as the expression of genes for aquaporin (AQP) 3, AQP4, peptide transporter 1 (PepT1), sodium/glucose co-transporter-1 (SGLT-1), potassium inwardly-rectifying channel, subfamily J, member 13 (KCNJ13), and solute carrier family 1 member 1 (SLC1A1) in the jejunum, demonstrating that NAC augmented intestinal metabolic activity and absorptive function. Remarkably, NAC decreased Atg5 protein abundance and the LC3II/LC3I ratio (an indicator of autophagy) in the jejunum of β-CG-challenged piglets. Taken together, NAC supplementation improved intestinal function and attenuated intestinal autophagy in β-CG-challenged piglets.
Comparative study on a kilowatt-MPT-MS-based method with two ion polarity modes for the inert palladium metal
Authors: Jiang Tao , Jiang Feng , Zhuo Zemin , Liu Huaxin , Hu Bin , Li Mei , Li Lei , Huang Zhengxu , Zhou Zhen , Zhu Zhiqiang
Published: January 2021

Inert metals are of much importance and play a key role in modern industrial manufacturing.
Rational design of a lysosome-targeting and near-infrared absorbing Ru(ii)–BODIPY conjugate for photodynamic therapy
Authors: Qiao Liping , Liu Jiangping , Han Yunhong , Wei Fangmian , Liao Xinxing , Zhang Cheng , Xie Lina , Ji Liangnian , Chao Hui
Published: January 2021

A lysosome-targeting and near-infrared absorbing Ru(ii)–BODIPY conjugate exhibits prominent tumor inhibitory efficiency in malignant melanoma A375 cells and in vivo experiments.
Base-enabled access to diastereoselective spirofuran oxindoles and γ-functionalized allenoates
Authors: D. Basavaraja , M. S. Ajay Krishna , Krishnan Jagadeesh , C. S. Athira , R. R. Amrutha , Suresh Eringathodi , Somappa Sasidhar B.
Published: January 2021

Base assisted divergent reactivity of isatins and allenoates has been achieved, which afforded diastereoselective spirofuran oxindoles and γ-functionalized allenoates.
One-pot syntheses of rhena-2-benzopyrylium complexes with a fused metallacyclopropene unit
Authors: Bao Xiao , Li Yang , Bai Wei , Zhou Yan , Wang Yilun , Sun Yue , Jiang Jingyang
Published: January 2021

Facile syntheses of the first cyclopropametalla-2-benzopyrylium complexes containing fused metallapyrylium and metallacyclopropene units.
Promoter engineering improves transcription efficiency in biomolecular assays
Authors: Woo Jisu , Kim Jung Ho , Kim Seokjoon , Park Ki Soo
Published: January 2021

A novel T7 promoter with improved transcription efficiency has been developed. It is more suitable for diagnostic applications due to its small size and is successfully used for an RNase H activity assay with high sensitivity and selectivity.
Preparation of anthranils via chemoselective oxidative radical cyclization of 3-(2-azidoaryl) substituted propargyl alcohols
Authors: Gao Chao , Xu Jian , Zhu Shuxian , Jian Kaixia , Xuan Qingqing , Song Qiuling
Published: January 2021

In presence of K2S2O8 and HOAc, propargyl alcohols can go oxidative radical cyclizations to give a pool of anthranils. Excellent chemoselectivity was seen, and the synthesized anthranils can be employed as N-nucleophiles in various transformations.
Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands
Authors: de Bruin-Dickason Caspar N. , Rosengarten Christopher A. , Deacon Glen B. , Jones Cameron
Published: January 2021

The first examples of enantiopure, dinuclear magnesium(i) and magnesium(ii) hydride complexes have been kinetically stabilised using bulky chiral β-diketiminate and amidinate ligands (see picture).
Solvophobic interaction promoted supramolecular helical assembly of building blocks of weak intermolecular halogen bonding
Authors: Yan Xiaosheng , Cao Jinlian , Zhang Yanhan , Weng Peimin , Miao Daiyu , Zhao Zhixing , Li Zhao , Jiang Yun-Bao
Published: January 2021

Bromination of β-turn structured bis(N-amidothiourea) facilitates the formation of supramolecular helical polymers in water through halogen bonding and hydrophobic interaction, exhibiting an unusual negative nonlinear CD-ee dependence.
A simple Hückel model-driven strategy to overcome electronic barriers to retro-Brook silylation relevant to aryne and bisaryne precursor synthesis
Authors: Neal Edward A. , Werling A. Yannic R. , Jones Christopher R.
Published: January 2021

Predicting retro-Brook reaction success or failure with simple MM2-Hückel models enables streamlined strategies towards previously inaccessible functionalized aryne and bisaryne precursors.
Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process
Authors: Sundareswaran Supriya , Karuppannan Srinivasan
Published: January 2021

Stable form-I and metastable form-II polymorphs of vanillin are identified through morphology and separated in terms of supersaturation ranges from pure aqueous solution without the use of nucleation selecting materials.
The preparation, structure and luminescent properties of Mg–CaCO3:Eu3+ phosphors
Authors: Wang Hongyang , Wang Yulu , Zhao Qianran , Zhou Xiuqing , Zou Haifeng , Song Yanhua , Sheng Ye
Published: January 2021

Morphology and luminescence properties of Mg–CaCO3:Eu3+ phosphors are found to change with the initial magnesium ion concentration.
Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand
Authors: Xue Yun-Shan , Zhang Chen , Lv Jun Qing , Chen Ning-Ning , Wang Jun , Chen Xuan-Rong , Fan Liming
Published: January 2021

Four Zn(ii)/Co(ii) CPs act as bifunctional materials in the detection of Fe(iii) cation, Cr(vi) anion, and nitrofuran antibiotics and removal of methylene blue in aqueous media.
Predicting second virial coefficients of organic and inorganic compounds using Gaussian process regression
Authors: Cretu Miruna T. , Pérez-Ríos Jesús
Published: January 2021

Intuitive and accessible molecular features are used to predict the temperature-dependent second virial coefficient of organic and inorganic compounds with Gaussian process regression.
Quantitative analysis of the synergistic effect of Au nanoparticles on SnO2–rGO nanocomposites for room temperature hydrogen sensing
Authors: Wang Yale , Pu Haihui , Lu Ganhua , Sui Xiaoyu , Chen Junhong
Published: January 2021

The accelerating effect of gold additives on hydrogen sensing was quantitatively studied through Arrhenius analysis.
Interface coupling and charge doping in graphene on ferroelectric BiAlO3(0001) polar surfaces
Authors: Yuan Jin , Dai Jian-Qing , Ke Cheng , Wei Zi-Cheng
Published: January 2021

The interface coupling mechanism, charge doping effect, and effect of polarization reversal in the graphene/BiAlO3(0001) hybrid system are explored by first-principles DFT calculations.
Functionalised nanoclays as microstructure modifiers for calcium and magnesium silicate hydrates
Authors: Ferraro Giovanni , Romei Lisa , Fratini Emiliano , Chen Sow-Hsin , Jeng U-Ser , Baglioni Piero
Published: January 2021

Halloysite nanotubes with carboxylic or polycarboxylic functionalities can affect the growth of calcium and magnesium silicate hydrates at the nanoscale.
Advances in applied supramolecular technologies
Authors: Williams George T. , Haynes Cally J. E. , Fares Mohamed , Caltagirone Claudia , Hiscock Jennifer R. , Gale Philip A.
Published: January 2021

Supramolecular chemistry has successfully built a foundation of fundamental understanding. However, with this now achieved, we show how this area of chemistry is moving out of the laboratory towards successful commercialisation.
The application and improvement of TiO2 (titanate) based nanomaterials for the photoelectrochemical conversion of CO2 and N2 into useful products
Authors: Zheng Hejie , Zhang Si , Liu Xiaoqiang , O'Mullane Anthony P.
Published: January 2021

In this review, we describe the photoelectrochemical (PEC) transformation of atmospheric species such as carbon dioxide (CO2) and nitrogen (N2) into useful industrial products on TiO2 and TiO2 composite photoelectrodes.
Self-discharge of magnesium–sulfur batteries leads to active material loss and poor shelf life
Authors: Ford Hunter O. , Doyle Emily S. , He Peng , Boggess William C. , Oliver Allen G. , Wu Tianpin , Sterbinsky George E. , Schaefer Jennifer L.
Published: January 2021

The magnesium–sulfur battery holds great promise for energy storage due to its high energy density and low cost of materials. Unfortunately, current Mg–S electrolytes are found to enable severe self-discharge, leading to poor battery shelf-life.
Polyeutectic-based stable and effective electrolytes for high-performance energy storage systems
Authors: Zhang Changkun , Niu Zhihui , Bae Jiwoong , Zhang Leyuan , Zhao Yu , Yu Guihua
Published: January 2021

Polyeutectic electrolyte, as a new class of electrolytes, was proposed for various high-energy storage systems.
Ultraintense, ultrashort pulse X-ray scattering in small molecules
Authors: Ho Phay J. , Fouda Adam E. A. , Li Kai , Doumy Gilles , Young Linda
Published: January 2021

We examine X-ray scattering from an isolated organic molecule from the linear to nonlinear absorptive regime.
Icariin ameliorates streptozocin-induced diabetic nephropathy through suppressing the TLR4/NF-κB signal pathway
Authors: Qi Min-you , He Ying-hao , Cheng Yin , Fang Qing , Ma Ru-yu , Zhou Shao-jie , Hao Jia-qi
Published: January 2021

Protective effects of icariin on streptozotocin-induced diabetic mice by inhibiting the TLR4/NF-κB signal pathway.
Albicanol antagonizes Cd-induced apoptosis through a NO/iNOS-regulated mitochondrial pathway in chicken liver cells
Authors: Guan Yalin , Zhao Xia , Song Nuan , Cui Yuan , Chang Ying
Published: January 2021

Albicanol can reduce the excessive production of the NO free radical induced by Cd, and then inhibits the mitochondrial apoptosis pathway.
Biological carbon fixation: a thermodynamic perspective
Authors: Zhao Tongxing , Li Yin , Zhang Yanping
Published: January 2021

Changes of Gibbs free energy made insights into the carbon fixation pathways from thermodynamic perspective.
Catalytic hydrothermal deoxygenation of lipids and fatty acids to diesel-like hydrocarbons: a review
Authors: Yao Xiaoyi , Strathmann Timothy J. , Li Yalin , Cronmiller Lauren E. , Ma Huiling , Zhang Jing
Published: January 2021

This review summarizes the reactions, catalysts and influence factors in the hydrothermal deoxygenation of lipids and fatty acids to diesel-like hydrocarbons.
Phytocat – a bio-derived Ni catalyst for rapid de-polymerization of polystyrene using a synergistic approach
Authors: Johar Parul , Rylott Elizabeth L. , McElroy C. Robert , Matharu Avtar S. , Clark James H.
Published: January 2021

A bio-derived Ni catalyst (phytocat) was developed using microwave assistedin-situbiosynthesis. The efficient use of naturally bound nickel in phytocat was successful in synergistic valorization of polystyrene to yield valuable chemical building blocks.
Solvent-free hydrosilylation of alkenes and alkynes using recyclable platinum on carbon nanotubes
Authors: Jawale Dhanaji V. , Geertsen Valérie , Miserque Frédéric , Berthault Patrick , Gravel Edmond , Doris Eric
Published: January 2021

A recyclable Pt-carbon nanotube hybrid was developed for the hydrosilylation of a variety of substrates under environmentally friendly conditions (no solvent, room temperature, low catalyst loading, air atmosphere).
Solvolysis of benzyl phenyl ether in high-temperature aqueous methanol solution under high-pressure carbon dioxide
Authors: Taniguchi Kenkichi , Nanao Hidetaka , Sato Osamu , Yamaguchi Aritomo , Shirai Masayuki
Published: January 2021

Alcoholysis of benzyl phenyl ether to various aromatic compounds was studied in high-temperature aqueous methanol solution under high-pressure carbon dioxide conditions.
Valence states of cyclotron-produced thallium
Authors: Tereshatov Evgeny E. , Semelová Miroslava , Čubová Kateřina , Bartl Pavel , Němec Mojmír , Štursa Jan , Zach Václav , Folden Charles M. , Omtvedt Jon Petter , John Jan
Published: January 2021

Non-monovalent state of cyclotron-produced thallium in the reaction of accelerated3He ions with gold.
Ln(iii) complexes with a chiral 1H-pyrazolo[3,4-b]pyridine derivative fused with a (−)-α-pinene moiety: synthesis, crystal structure, and photophysical studies in solution and in the solid state
Authors: Bryleva Yuliya A. , Ustimenko Yuliya P. , Plyusnin Victor F. , Mikheilis Alexsandr V. , Shubin Aleksandr A. , Glinskaya Ludmila A. , Komarov Vladislav Yu. , Agafontsev Alexander M. , Tkachev Alexey V.
Published: January 2021

Novel chiral luminescent Ln(iii) complexes with a pyrazolo[3,4-b]pyridine derivative containing a natural monoterpene (−)-α-pinene moiety are reported.
Methyl sydnone imine and its energetic salts
Authors: Gettings Matthew L. , Byrd Edward F. C. , Zeller Matthias , Piercey Davin
Published: January 2021

First investigation of this new energetic cation, which may greatly expand the range of possible energetic salts available.
Synthesis of novel π-extended D–A–D-type dipyrido[3,2-a:2′,3′-c]phenazine derivatives and their photosensitized singlet oxygen generation
Authors: Hayashi Yuichiro , Morimoto Ami , Maeda Takeshi , Enoki Toshiaki , Ooyama Yousuke , Matsui Yasunori , Ikeda Hiroshi , Yagi Shigeyuki
Published: January 2021

Electron donor–acceptor–donor (D–A–D) π-conjugated molecules based on dipyrido[3,2-a:2′,3′-c]phenazine (dppz) were developed as photosensitizers for singlet oxygen generation.
Simulation of dendritic growth of a zinc anode in a zinc–nickel single flow battery using the phase field-lattice Boltzmann method
Authors: Yao Shouguang , Kan Xin , Zhou Rui , Ding Xi , Xiao Min , Cheng Jie
Published: January 2021

The mechanism of zinc dendrite formation was explored to obtain high-safety zinc nickel single liquid batteries.
Novel composites with a cross-linked polyaniline shell and oriented palygorskite as ideal microwave absorbers
Authors: Wang Sheng , Lian Wei , Ren Hengdong , Ma Jialin , Liu Yin , Zhang Tianshu , Kong Ling Bing
Published: January 2021

The obtained composites exhibit a cross-linked shell structure, which has a positive effect on the microwave absorption performance of the materials.
SERS-based immunoassay using core–shell nanotags and magnetic separation for rapid and sensitive detection of cTnI
Authors: Hu Cunming , Ma Li , Mi Fang , Guan Ming , Guo Chang , Peng Fei , Sun Shijiao , Wang Xiaomei , Liu Tingwei , Li Jiutong
Published: January 2021

Au-4MBA@Ag with a strong Raman signal was successfully synthesized, and combination with magnetic separation technology achieved sensitive detection of cTnI.
Simultaneous catalytic reduction ofp-nitrophenol and hydrogen production on MIL-101(Fe)-based composites
Authors: Huang Yixuan , Xie Liyan , Zhuo Kangji , Zhou Hao , Zhang Yanhui
Published: January 2021

MIL-101(Fe)-based composite materials and their application for the generation of H2by the catalytic reduction of nitro organics are reported in this study.
Depolymerization of polystyrene under ambient conditions
Authors: Balema Viktor P. , Hlova Ihor Z. , Carnahan Scott L. , Seyedi Mastooreh , Dolotko Oleksandr , Rossini Aaron J. , Luzinov Igor
Published: January 2021

Ball milling of polystyrene under ambient conditions in metal containing vials causes scission of macromolecules, resulting in partial dismantling to styrene. Reactions proceeds via intermediate carbon-based free radicals that are detectable by EPR.
A flexible and conductive MXene-coated fabric integrated with in situ sulfur loaded MXene nanosheets for long-life rechargeable Li–S batteries
Authors: Liu Kaige , Fan Yepeng , Ali Asad , Shen Pei Kang
Published: January 2021

A Ti3C2Tx modified MXene fabric (MF) was prepared by dip coating Ti3C2Tx ink on the surface of a common fabric (CF), and then Ti3C2Tx/S nanosheets were coated on the surface of the MF, to obtain a flexible MF@Ti3C2Tx/S electrode.
Poly(ionic liquid)s with branched side chains: polymer design for breaking the conventional record of ionic conductivity
Authors: Ikeda Taichi
Published: January 2021

Poly(ionic liquid)s with branched side chains can break the conventional record of ionic conductivity of single-ion conductors.
Mercapto-responsive polymeric nano-carrier capable of releasing sulfur dioxide
Authors: Li Ruru , Huang Xiaoyu , Lu Guolin , Feng Chun
Published: January 2021

This article reports platform to prepare polymeric nano-carriers capable of releasing SO2 and hydrophobic payloads upon triggering by mercapto-containing species.
Facile topological transformation of ABA triblock copolymers into multisite, single-chain-folding and branched multiblock copolymers via sequential click coupling and anthracene chemistry
Authors: He Yanzhe , Wang Zhigang , Liu Peng , Zhou Xiangdong , Zhao Youliang
Published: January 2021

Telechelic PtBA-b-PSt-b-PtBA copolymers were designed to achieve on-demand topological transformation into multisite, single-chain-folding and branched multiblock copolymers via click/click-like reactions.
Numerical study on the effect of discrete catalytic layer arrangement on methane steam reforming performance
Authors: Wang Han , Yang Guogang , Li Shian , Shen Qiuwan , Li Zheng , Chen Biaojie
Published: January 2021

The performance of methane reforming reaction can be improved by increasing the number of discrete catalytic layer gaps in the reactor.
Cobalt metal–organic framework-based ZIF-67 for the trace determination of herbicide molinate by ion mobility spectrometry: investigation of different morphologies
Authors: Davoodi Mehdi , Davar Fatemeh , Rezayat Mohammad R. , Jafari Mohammad T. , Shalan Ahmed Esmail
Published: January 2021

Co-MOF-based zeolitic imidazolate frameworks (ZIF-67) with various morphologies were prepared via an innovative way under distinct reaction conditions.
Recycling of spent coffee grounds for useful extracts and green composites
Authors: Leow Yihao , Yew Pek Yin Michelle , Chee Pei Lin , Loh Xian Jun , Kai Dan
Published: January 2021

Spent coffee grounds are mostly discarded as waste. Here we recycle them for chemical compounds and as composite material fillers. Our study evaluated the chemical composition of coffee oil extracts and mechanical properties of composites formed.
Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro
Authors: Tam Nguyen Minh , Nam Pham Cam , Quang Duong Tuan , Tung Nguyen Thanh , Vu Van V. , Ngo Son Tung
Published: January 2021

Binding of inhibitors to the monomeric SARS-CoV-2 Mpro is similar to the dimeric one.
Green synthesis of silver nanoparticles using plant extracts and their antimicrobial activities: a review of recent literature
Authors: Vanlalveni Chhangte , Lallianrawna Samuel , Biswas Ayushi , Selvaraj Manickam , Changmai Bishwajit , Rokhum Samuel Lalthazuala
Published: January 2021

Herein, we have reviewed new findings in the research domain of the green synthesis of silver nanoparticles using different plant extracts and their potential applications as antimicrobial agents covering the literature since 2015.
Preparation and catalytic performance of active metal sintered membrane reactor anchored with Pt atoms
Authors: Ren Xiaoliang , Wang Shufang , Ding Xiaoshu , Zhang Dongsheng , Wang Yanji
Published: January 2021

A novel, active metal sintered membrane reactor anchored with Pt atoms was successfully developed. The membrane reactor exhibited excellent catalytic performance and stability towards continuous liquid-phase hydrogenation of nitroaromatic compounds.
MeFSAT: a curated natural product database specific to secondary metabolites of medicinal fungi
Authors: Vivek-Ananth R. P. , Sahoo Ajaya Kumar , Kumaravel Kavyaa , Mohanraj Karthikeyan , Samal Areejit
Published: January 2021

First dedicated manually curated resource on secondary metabolites and therapeutic uses of medicinal fungi. Cheminformatics based analysis of the chemical space of fungal natural products.
Enterobactin- and salmochelin-β-lactam conjugates induce cell morphologies consistent with inhibition of penicillin-binding proteins in uropathogenic Escherichia coli CFT073
Authors: Sargun Artur , Johnstone Timothy C. , Zhi Hui , Raffatellu Manuela , Nolan Elizabeth M.
Published: January 2021

Siderophore-β-lactam conjugates based on enterobactin and diglucosylated enterobactin enter the periplasm of uropathogenic E. coli CFT073 via the FepA and IroN transporters, and target penicillin-binding proteins.
Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number
Authors: Choi Changhyeok , Yoon Sungho , Jung Yousung
Published: January 2021

The scaling relationship of methane activationviaa radical-like transition state shifts toward a more reactive region with decreasing coordination number of the active sites.
Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity
Authors: Tian Yancong , Jakoobi Martin , Boulatov Roman , Sergeev Alexey G.
Published: January 2021

The detailed mechanism of iridium-mediated C–C cleavage in unactivated arenes reveals the key factors enabling the process and helps predict the scope of the cleavage reaction.
A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters
Authors: Li Chifeng , Jimbo Atsuhiro , Yamaguchi Kazuya , Suzuki Kosuke
Published: January 2021

A “protecting group strategy” for unstable lacunary polyoxomolybdates enabled successful synthesis of two types of tetranuclear manganese clusters.
A pH-responsive ultrathin Cu-based nanoplatform for specific photothermal and chemodynamic synergistic therapy
Authors: Hu Tingting , Yan Liang , Wang Zhengdi , Shen Weicheng , Liang Ruizheng , Yan Dongpeng , Wei Min
Published: January 2021

A pH-responsive multifunctional nanosystem was synthesized by loading glucose oxidase (GOD) onto CuFe-layered double hydroxide (LDH) nanosheets, which exhibited synchronous acid-enhanced/responsive photothermal and chemodynamic synergistic therapy.
MD simulation of the interaction between sialoglycans and the second sialic acid binding site of influenza A virus N1 neuraminidase
Authors: Elli Stefano , Gambacorta Nicola , Rudd Timothy R. , Matrosovich Mikhail , Guerrini Marco
Published: January 2021

The neuraminidases (NAs) of avian influenza viruses (IAVs) contain a second sialic acid-binding site (2SBS), historically known as the hemadsorption site, which is separated from the sialyl-hydrolase catalytic site and serves to facilitate NA catalytic activity towards multivalent sialyl-capped glycoconjugates. Transmission and adaptation of avian IAVs to humans decreases hemadsorption and catalytic activities of the NA. Here, we report the molecular recognition features of the NA 2SBS of two pandemic H1N1 IAVs, A/Brevig Mission /1/1918 (BM18) and A/California/04/2009 (CA09), differing by their 2SBS activity. Using explicit solvent MD simulation, molecular mechanics, and glycosidic conformation analysis we initially analyzed the interactions of BM18 2SBS with two sialyllacto-N-tetraose pentasaccharides, 3′SLN-LC and 6′SLN-LC, which are models for the glycan receptors of IAVs in birds and humans, respectively. These studies characterize the binding specificity of BM18 2SBS towards human-type and avian-type receptors and identifies the key amino acids that affects binding. We next compared the interactions of the 2SBSs of BM18 and CA09 with 6′SLN-LC, revealing the critical effect of amino acid 372 on binding. Our results expand the current knowledge of the molecular features of NA 2SBSs and its alteration during the adaptation of avian IAVs to humans.
A new function for the xanthophyll zeaxanthin: glueing chlorophyll biosynthesis to thylakoid protein assembly
Authors: Bassi Roberto
Published: January 2021

Xanthophylls are coloured isoprenoid metabolites synthesized in many organisms with a variety of functions from the attraction of animals for impollination to absorption of light energy for photosynthesis to photoprotection against photooxidative stress. The finding by Proctor and co-workers makes a new addition to the last type of functions by showing that zeaxanthin is instrumental in coordinating chlorophyll biosynthesis with the insertion of pigment-binding proteins into the photosynthetic membrane by glueing the protein components catalyzing these functions into a supercomplex and regulating its activity.
Uncovering the mechanism of Ge-Gen-Qin-Lian decoction for treating ulcerative colitis based on network pharmacology and molecular docking verification
Authors: Xu Lin , Zhang Jiaqi , Wang Yifan , Zhang Zedan , Wang Fengyun , Tang Xudong
Published: January 2021

Background: Ge-Gen-Qin-Lian Decoction (GGQLD), a traditional Chinese medicine (TCM) formula, has been widely used for ulcerative colitis (UC) in China, but the pharmacological mechanisms remain unclear. This research was designed to clarify the underlying pharmacological mechanism of GGQLD against UC.

Method: In this research, a GGQLD-compound-target-UC network was constructed based on public databases to clarify the relationship between active compounds in GGQLD and potential targets. Gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analyses were performed to investigate biological functions associated with potential targets. A protein–protein interaction network was constructed to screen and evaluate hub genes and key active ingredients. Molecular docking was used to verify the activities of binding between hub targets and ingredients.

Results: Finally, 83 potential therapeutic targets and 118 corresponding active ingredients were obtained by network pharmacology. Quercetin, kaempferol, wogonin, baicalein, and naringenin were identified as potential candidate ingredients. GO and KEGG enrichment analyses revealed that GGQLD had anti-inflammatory, antioxidative, and immunomodulatory effects. The effect of GGQLD on UC might be achieved by regulating the balance of cytokines (e.g., IL-6, TNF, IL-1β, CXCL8, CCL2) in the immune system and inflammation-related pathways, such as the IL-17 pathway and the Th17 cell differentiation pathway. In addition, molecular docking results demonstrated that the main active ingredient, quercetin, exhibited good affinity to hub targets.

Conclusion: This research fully reflects the multicomponent and multitarget characteristics of GGQLD in the treatment of UC. Furthermore, the present study provided new insight into the mechanisms of GGQLD against UC.
Inflammation: a putative link between phosphate metabolism and cardiovascular disease
Authors: Voelkl Jakob , Egli-Spichtig Daniela , Alesutan Ioana , Wagner Carsten A.
Published: January 2021

Dietary habits in the western world lead to increasing phosphate intake. Under physiological conditions, extraosseous precipitation of phosphate with calcium is prevented by a mineral buffering system composed of calcification inhibitors and tight control of serum phosphate levels. The coordinated hormonal regulation of serum phosphate involves fibroblast growth factor 23 (FGF23), αKlotho, parathyroid hormone (PTH) and calcitriol. A severe derangement of phosphate homeostasis is observed in patients with chronic kidney disease (CKD), a patient collective with extremely high risk of cardiovascular morbidity and mortality. Higher phosphate levels in serum have been associated with increased risk for cardiovascular disease (CVD) in CKD patients, but also in the general population. The causal connections between phosphate and CVD are currently incompletely understood. An assumed link between phosphate and cardiovascular risk is the development of medial vascular calcification, a process actively promoted and regulated by a complex mechanistic interplay involving activation of pro-inflammatory signalling. Emerging evidence indicates a link between disturbances in phosphate homeostasis and inflammation. The present review focuses on critical interactions of phosphate homeostasis, inflammation, vascular calcification and CVD. Especially, pro-inflammatory responses mediating hyperphosphatemia-related development of vascular calcification as well as FGF23 as a critical factor in the interplay between inflammation and cardiovascular alterations, beyond its phosphaturic effects, are addressed.
Assessment of Reliability and Validity of the Cochlear Implant Skills Review: A New Measure to Evaluate Cochlear Implant Users' Device Skills and Knowledge
Authors: Vasil Kara , Lewis Jessica , Ray Christin , Baxter Jodi , Bernstein Claire , Brewer Diane , Presley Regina , Sydlowski Sarah , Bosworth Cassandra , Bakke Matthew , Hume-Johnson Kelly , Hehl Emily , Moberly Aaron C.
Published: January 2021

Purpose

The Cochlear Implant Skills Review (CISR) was developed as a measure of cochlear implant (CI) users' skills and knowledge regarding device use. This study aimed to determine intra- and interrater reliability and agreement and establish construct validity for the CISR.

Method

In this study, the CISR was developed and administered to a cohort of 30 adult CI users. Participants included new CI users with less than 1 year of CI experience and experienced CI users with greater than 1 year of CI experience. The CISR administration required participants to demonstrate skills using the various features of their CI processors. Intra- and interrater reliability were assessed using intraclass correlation coefficients, agreement was assessed using Cohen's kappa, and construct validity was assessed by relating CISR performance to duration of CI use.

Results

Overall reliability for the entire instrument was 92.7%. Inter- and intrarater agreement were generally substantial or higher. Duration of CI use was a significant predictor of CISR performance.

Conclusions

The CISR is a reliable and valid assessment measure of device skills and knowledge for adult CI users. Clinicians can use this tool to evaluate areas of needed instruction and counseling and to assess users' skills over time.