bluuebunny/crossref_metadata_2025 huggingface dataset:
Single-nuclei isoform RNA sequencing unlocks barcoded exon connectivity in frozen brain tissue
Authors: Hardwick Simon A. , Hu Wen , Joglekar Anoushka , Fan Li , Collier Paul G. , Foord Careen , Balacco Jennifer , Lanjewar Samantha , Sampson Maureen McGuirk , Koopmans Frank , Prjibelski Andrey D. , Mikheenko Alla , Belchikov Natan , Jarroux Julien , Lucas Anne Bergstrom , Palkovits Miklós , Luo Wenjie , Milner Teresa A. , Ndhlovu Lishomwa C. , Smit August B. , Trojanowski John Q. , Lee Virginia M. Y. , Fedrigo Olivier , Sloan Steven A. , Tombácz Dóra , Ross M. Elizabeth , Jarvis Erich , Boldogkői Zsolt , Gan Li , Tilgner Hagen U.
Published: March 2022

Single-nuclei RNA sequencing characterizes cell types at the gene level. However, compared to single-cell approaches, many single-nuclei cDNAs are purely intronic, lack barcodes and hinder the study of isoforms. Here we present single-nuclei isoform RNA sequencing (SnISOr-Seq). Using microfluidics, PCR-based artifact removal, target enrichment and long-read sequencing, SnISOr-Seq increased barcoded, exon-spanning long reads 7.5-fold compared to naive long-read single-nuclei sequencing. We applied SnISOr-Seq to adult human frontal cortex and found that exons associated with autism exhibit coordinated and highly cell-type-specific inclusion. We found two distinct combination patterns: those distinguishing neural cell types, enriched in TSS-exon, exon-polyadenylation-site and non-adjacent exon pairs, and those with multiple configurations within one cell type, enriched in adjacent exon pairs. Finally, we observed that human-specific exons are almost as tightly coordinated as conserved exons, implying that coordination can be rapidly established during evolution. SnISOr-Seq enables cell-type-specific long-read isoform analysis in human brain and in any frozen or hard-to-dissociate sample.
Temporally dynamic neural correlates of drug cue reactivity, response inhibition, and methamphetamine-related response inhibition in people with methamphetamine use disorder
Authors: Jafakesh Sara , Sangchooli Arshiya , Aarabi Ardalan , Helfroush Mohammad Sadegh , Dakhili Amirhossein , Oghabian Mohammad Ali , Kazemi Kamran , Ekhtiari Hamed
Published: March 2022

Cue-induced drug craving and disinhibition are two essential components of continued drug use and relapse in substance use disorders. While these phenomena develop and interact across time, the temporal dynamics of their underlying neural activity remain under-investigated. To explore these dynamics, an analysis of time-varying activation was applied to fMRI data from 62 men with methamphetamine use disorder in their first weeks of recovery in an abstinence-based treatment program. Using a mixed block-event, factorial cue-reactivity/Go-NoGo task and a sliding window across the task duration, dynamically-activated regions were identified in three linear mixed effects models (LMEs). Habituation to drug cues across time was observed in the superior temporal gyri, amygdalae, left hippocampus, and right precuneus, while response inhibition was associated with the sensitization of temporally-dynamic activations across many regions of the inhibitory frontoparietal network. Methamphetamine-related response inhibition was associated with temporally-dynamic activity in the parahippocampal gyri and right precuneus (corrected p-value < 0.001), which show a declining cue-reactivity contrast and an increasing response inhibition contrast. Overall, the declining craving-related activations (habituation) and increasing inhibition-associated activations (sensitization) during the task duration suggest the gradual recruitment of response inhibitory processes and a concurrent habituation to drug cues in areas with temporally-dynamic methamphetamine-related response inhibition. Furthermore, temporally dynamic cue-reactivity and response inhibition were correlated with behavioral and clinical measures such as the severity of methamphetamine use and craving, impulsivity and inhibitory task performance. This exploratory study demonstrates the time-variance of the neural activations undergirding cue-reactivity, response inhibition, and response inhibition during exposure to drug cues, and suggests a method to assess this dynamic interplay. Analyses that can capture temporal fluctuations in the neural substrates of drug cue-reactivity and response inhibition may prove useful for biomarker development by revealing the rate and pattern of sensitization and habituation processes, and may inform mixed cue-exposure intervention paradigms which could promote habituation to drug cues and sensitization in inhibitory control regions.
Modelling, characterization, and applications of silicon on insulator loop terminated asymmetric Mach Zehnder interferometer
Authors: El Shamy Raghi S. , Afifi Abdelrahman E. , Badr Mohamed M. , Swillam Mohamed A.
Published: March 2022

This work presents a loop terminated asymmetric Mach–Zehnder interferometer (LT-aMZI) structure based on the widespread silicon-on-insulator (SOI) platform. Four different path length differences of the LT-aMZI, which correspond to free spectral ranges (FSR) from 0.8 to 6.4 nm, are designed. These designs are compared to the common asymmetric Mach–Zehnder interferometer (C-aMZI) and are shown to be more compact. These devices are suitable for optical filtering as well as wavelength demultiplexing (WDM) applications. A compact analytical model is derived that accurately describe the operation of the LT-MZI devices. The designs are then fabricated using Electron Beam Lithography (EBL) and characterized. The experimental data show good agreement when compared to the simulation results. To our knowledge, this is the first time LT-aMZI fabrication and characterization. Moreover, the LT-MZI spectrum can be tuned not only by the interferometer arms phase difference like C-MZI, but also by using its directional couplers coefficients, forming a spectral tunable filter. Finally, we determine the performance parameters of optical sensors and modulators and show that our proposed LT-MZI structure will enhance the sensor figure of merit (FOM) and modulator speed, power consumption and Vπ × L compared to C-MZI. A comparison between symmetric and asymmetric MZI sensors and the advantage of the latter is also mentioned.
Quantity of IgG response to SARS-CoV-2 spike glycoprotein predicts pulmonary recovery from COVID-19
Authors: Nairz Manfred , Sahanic Sabina , Pizzini Alex , Böhm Anna , Tymoszuk Piotr , Mitterstiller Anna-Maria , von Raffay Laura , Grubwieser Philipp , Bellmann-Weiler Rosa , Koppelstätter Sabine , Schroll Andrea , Haschka David , Zimmermann Martina , Blunder Silvia , Trattnig Kristina , Naschberger Helene , Klotz Werner , Theurl Igor , Petzer Verena , Gehrer Clemens , Mindur John E. , Luger Anna , Schwabl Christoph , Widmann Gerlig , Weiss Günter , Löffler-Ragg Judith , Tancevski Ivan , Sonnweber Thomas
Published: March 2022

The CovILD study is a prospective, multicenter, observational cohort study to systematically follow up patients after coronavirus disease-2019 (COVID-19). We extensively evaluated 145 COVID-19 patients at 3 follow-up visits scheduled for 60, 100, and 180 days after initial confirmed diagnosis based on typical symptoms and a positive reverse transcription-polymerase chain reaction (RT-PCR) for severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). We employed comprehensive pulmonary function and laboratory tests, including serum concentrations of IgG against the viral spike (S) glycoprotein, and compared the results to clinical data and chest computed tomography (CT). We found that at the 60 day follow-up, 131 of 145 (90.3%) participants displayed S-specific serum IgG levels above the cut-off threshold. Notably, the highly elevated IgG levels against S glycoprotein positively correlated with biomarkers of immune activation and negatively correlated with pulmonary function and the extent of pulmonary CT abnormalities. Based on the association between serum S glycoprotein-specific IgG and clinical outcome, we generated an S-specific IgG-based recovery score that, when applied in the early convalescent phase, accurately predicted delayed pulmonary recovery after COVID-19. Therefore, we propose that S-specific IgG levels serve as a useful immunological surrogate marker for identifying at-risk individuals with persistent pulmonary injury who may require intensive follow-up care after COVID-19.
Irrigation of peritoneal cavity with cold atmospheric plasma treated solution effectively reduces microbial load in rat acute peritonitis model
Authors: Oztan Mustafa Onur , Ercan Utku Kürşat , Aksoy Gokmen Ayşegül , Simsek Fatma , Ozdemir Gizem Dilara , Koyluoglu Gökhan
Published: March 2022

Accurate and timely diagnosis of appendicitis in children can be challenging, which leads to delayed admittance or misdiagnosis that may cause perforation. Surgical management involves the elimination of the focus (appendectomy) and the reduction of the contamination with peritoneal irrigation to prevent sepsis. However, the validity of conventional irrigation methods is being debated, and novel methods are needed. In the present study, the use of cold plasma treated saline solution as an intraperitoneal irrigation solution for the management of acute peritonitis was investigated. Chemical and in vitro microbiological assessments of the plasma-treated solution were performed to determine the appropriate plasma treatment time to be used in in-vivo experiments. To induce acute peritonitis in rats, the cecal ligation and perforation (CLP) model was used. Sixty rats were divided into six groups, namely, sham operation, plasma irrigation, CLP, dry cleaning after CLP, saline irrigation after CLP, and plasma-treated saline irrigation after CLP group. The total antioxidant and oxidant status, oxidative stress index, microbiological, and pathological evaluations were performed. Findings indicated that plasma-treated saline contains reactive species, and irrigation with plasma-treated saline can effectively inactivate intraperitoneal contamination and prevent sepsis with no short-term local and/or systemic toxicity.
Global and localized network characteristics of the resting brain predict and adapt to foreign language learning in older adults
Authors: Kliesch Maria , Becker Robert , Hervais-Adelman Alexis
Published: March 2022

Resting brain (rs) activity has been shown to be a reliable predictor of the level of foreign language (L2) proficiency younger adults can achieve in a given time-period. Since rs properties change over the lifespan, we investigated whether L2 attainment in older adults (aged 64–74 years) is also predicted by individual differences in rs activity, and to what extent rs activity itself changes as a function of L2 proficiency. To assess how neuronal assemblies communicate at specific frequencies to facilitate L2 development, we examined localized and global measures (Minimum Spanning Trees) of connectivity. Results showed that central organization within the beta band (~ 13–29.5 Hz) predicted measures of L2 complexity, fluency and accuracy, with the latter additionally predicted by a left-lateralized centro-parietal beta network. In contrast, reduced connectivity in a right-lateralized alpha (~ 7.5–12.5 Hz) network predicted development of L2 complexity. As accuracy improved, so did central organization in beta, whereas fluency improvements were reflected in localized changes within an interhemispheric beta network. Our findings highlight the importance of global and localized network efficiency and the role of beta oscillations for L2 learning and suggest plasticity even in the ageing brain. We interpret the findings against the background of networks identified in socio-cognitive processes.
Characterizing the neurocognitive profiles of children with moyamoya disease using the Das Naglieri cognitive assessment system
Authors: Kusano Yusuke , Funaki Takeshi , Ueda Keita , Nishida Noyuri , Tanaka Kanade , Miyamoto Susumu , Matsuda Shuichi
Published: March 2022

Although cognitive impairment is well-documented in children with moyamoya disease (MMD), selective decline in specific neurocognitive domains remains controversial. The purpose of this study was to characterize the neurocognitive profile of children with MMD using the Das Naglieri Cognitive Assessment System (CAS) and the Wechsler Intelligence Scale for Children, Fourth Edition (WISC-IV). We analyzed the neurocognitive data of 30 children (median age, 7 years) with MMD who were assessed with the CAS and the WISC-IV before surgery. We focused on the comparison of standard scores and intraindividual differences across domains. The CAS scores significantly varied across four measures (standard scores, p < 0.001; intraindividual differences, p < 0.001). Post-hoc analyses revealed that the standard scores and intraindividual differences for successive processing were significantly lower than those for planning and attention. The WISC-IV scores did not significantly vary among the four measures, although the working memory index was the lowest among the four measures. The within-individual weakness in successive processing, a form of working memory function, may be a distinct characteristic of children with MMD. The CAS may be more sensitive than the WISC-IV for detecting this selective neurocognitive weakness in children with MMD.
First-principles calculations of high-pressure physical properties anisotropy for magnesite
Authors: Liu Zi-Jiang , Sun Xiao-Wei , Zhang Cai-Rong , Zhang Shun-Jing , Zhang Zheng-Rong , Jin Neng-Zhi
Published: March 2022

The first-principles calculations based on density functional theory with projector-augmented wave are used to study the anisotropy of elastic modulus, mechanical hardness, minimum thermal conductivity, acoustic velocity and thermal expansion of magnesite (MgCO3) under deep mantle pressure. The calculation results of the phase transition pressure, equation of state, elastic constants, elastic moduli, elastic wave velocities and thermal expansion coefficient are consistent with those determined experimentally. The research results show that the elastic moduli have strong anisotropy, the mechanical hardness gradually softens with increasing pressure, the conduction velocity of heat in the [100] direction is faster than that in the [001] direction, the plane wave velocity anisotropy first increases and then gradually decreases with increasing pressure, and the shear wave velocity anisotropy increases with the increase of pressure, the thermal expansion in the [100] direction is greater than that in the [001] direction. The research results are of great significance to people’s understanding of the high-pressure physical properties of carbonates in the deep mantle.
Liver fat in adult survivors of severe acute malnutrition
Authors: Thompson Debbie S. , Royal-Thomas Tamika Y. N. , Tennant Ingrid A. , Soares Deanne P. , Byrne Christopher D. , Forrester Terrence E. , Gluckman Peter D. , Boyne Michael S.
Published: March 2022

The association between severe acute malnutrition (SAM) in early childhood and liver fat in adults is unknown. We hypothesized that exposure to SAM, especially severe wasting, is associated with fatty liver later in life. In this observational study, abdominal CT was used to quantify mean liver attenuation (MLA) and liver:spleen attenuation ratio (L/S). Birth weight (BW), serum lipids, insulin resistance (homeostatic model assessment), anthropometry and intrabdominal fat were collected. Mean differences between diagnostic groups were tested and hierarchical regression analysis determined the best predictors of liver fat. We studied 88 adult SAM survivors and 84 community participants (CPs); age 29.0 ± 8.4 years, BMI 23.5 ± 5.0 kg/m2 (mean ± SDs). SAM survivors had less liver fat than CPs (using L/S) (p = 0.025). Severe wasting survivors (SWs) had lower BW (-0.51 kg; p = 0.02), were younger, thinner and had smaller waist circumference than oedematous malnutrition survivors (OMs). In the final regression model adjusting for age, sex, birth weight and SAM phenotype (i.e., oedematous malnutrition or severe wasting), SWs had more liver fat than OMs (using MLA) (B = 2.6 ± 1.3; p = 0.04) but similar liver fat using L/S (p = 0.07) and lower BW infants had less liver fat (MLA) (B = -1.8 ± 0.8; p = 0.03). Greater liver fat in SWs than OMs, despite having less body fat, supports our hypothesis of greater cardiometabolic risk in SWs. Other postnatal factors might influence greater liver fat in survivors of severe wasting, suggesting the need to monitor infants exposed to SAM beyond the acute episode.
Short term feeding of industrial hemp with a high cannabidiolic acid (CBDA) content increases lying behavior and reduces biomarkers of stress and inflammation in Holstein steers
Authors: Kleinhenz Michael D. , Weeder Mikaela , Montgomery Shawnee , Martin Miriam , Curtis Andrew , Magnin Geraldine , Lin Zhoumeng , Griffin Jason , Coetzee Johann F.
Published: March 2022

Industrial hemp (IH) is defined as Cannabis sativa containing < 0.3% delta-9 tetrahydrocannabinol (THC) and was legalized in the 2018 Farm Bill. The impact of cannabinoids in IH fed to livestock, especially after repeat exposure, has not been thoroughly investigated. Sixteen male castrated Holstein cattle weighting (± SD) 447 ± 68 kg were enrolled onto the study. Cattle were allocated into two treatment groups either receiving IH (HEMP, n = 8) or a control (CNTL, n = 8). Cattle in the HEMP group were fed 25 g IH mixed in 200 g of grain once a day for 14 days to target a daily dose of 5.5 mg/kg of cannabidiolic acid (CBDA). Behavior was continuously monitored with accelerometers and blood samples were collected at predetermined time points for plasma cannabinoid, serum cortisol, serum haptoglobin, liver enzymes, serum amyloid A, and prostaglandin E2 concentrations. The HEMP group spent a mean 14.1 h/d (95% CI 13.6–14.6 h/d) lying compared to the 13.4 h/d (95% CI 12.9–13.8 h/d) for the CNTL cattle (P = 0.03). Cortisol concentrations in the HEMP group were lower than the CNTL group (P = 0.001). Cattle in the HEMP group demonstrated an 8.8% reduction in prostaglandin E2 concentrations from baseline compared to a 10.2% increase from baseline observed in the CNTL group. No differences for haptoglobin or serum amyloid A were observed. These results suggest that feeding IH with a high CBDA content for 14 days increases lying behavior and decreases biomarkers of stress and inflammation in cattle.
Bio inspired general artificial muscle using hybrid of mixed electrolysis and fluids chemical reaction (HEFR)
Authors: Zakeri Ramin , Zakeri Reza
Published: March 2022

One of the issues in the field of soft-robotic systems is that how to create a fast displacement mechanism which it operates close to nature. This paper presents a deep study of hybrid of mixed electrolysis and fluids chemical reaction (HEFR) method for general applications, considering contraction/expansion of a single/multiple (taped) soft bio-inspired actuators in various conditions and a practical instance of a moving wing mechanism. This research extends the recent study of corresponding author’s team (Zakeri and Zakeri, Deformable airfoil using hybrid of mixed integration electrolysis and fluids chemical reaction (HEFR) artificial muscle technique. Sci Rep 11:5497, 2021) that previous study concentrated on just single bio actuator in deformable airfoil. This work offers a general artificial muscle which it employs the hybrid of mixed electrolysis (electrolysis module with 10 mL capacity without any separation of materials such as O2 or H2), two fluids for chemical reaction (sodium bicarbonate (NaHCO3 (s)) and acetic acid (CH3COOH (l))) and also multilayer soft skin bags (40 × 30 mm). The analyzed parameters are amount of displacement (contraction/expansion) over time (response time), the ratio of output force to total weight and extremely low expense of manufacturing. The main results are as follows: the released energy from 1 mL sodium bicarbonate, 10 mL acetic acid and a 12 V electrolysis module have ability to give a response time less than 1 s (25 mm expansion and 4 mm contraction) with 12 W power consumption and also bio actuator can easily displace a 250 g object (total weight of components is almost 33 g). Also, it has been shown that the response time of mixed electrolysis in the proposed inactive solution (without any fresh chemical reaction) will be nine times to pure water. In the active solution (refresh chemical reaction), response time of HEFR will be accelerated 2.44 times to pure chemical reaction. By applying the multilayer soft skin bags or soft actuators (multi contraction and multi expansion model), a practical movable flapping wing has been presented which a full cycle of flapping would take 2 s. The proposed method has ability to show a quick response time, without making any noise, very low construction cost and practical for general and frequent uses.
Characteristics of recurrent cases after conservative therapy in adolescent lumbar spondylolysis
Authors: Tatsumura Masaki , Gamada Hisanori , Okuwaki Shun , Eto Fumihiko , Nagashima Katsuya , Mammoto Takeo , Hirano Atsushi , Funayama Toru , Yamazaki Masashi
Published: March 2022

Occasionally lumbar spondylolysis in adolescents will recur after conservative treatment. The goal of this study was to retrospectively review the conditions in which recurrence transpired in a subset of adolescent patients diagnosed with acute lumbar spondylolysis. A retrospective survey was conducted in 141 patients who had been treated for spondylolysis and had obtained bone union. Twenty subjects were selected who had recurrent lumbar spondylolysis after returning to sports activity following the initial spondylolysis treatment. There were 18 males and two females with an average age at the time of initial visit of 13.3 years and 14.1 years at the time of recurrence. The average period of initial treatment was 101 days, and the average time to recurrence after healing was 149 days. There were three cases at L3, two cases at L4 and 15 cases at L5. At recurrence, 18 patients had unilateral involvement and two patients presented with bilateral occurrence. Four cases did not achieve bony union. In this study, the recurrence rate was 13.2%. Eighty percent of cases had recurrence within six months after healing. After recurrence, 20% of the cases reached pseudoarthrosis. It is useful to take regular MRI images to detect recurrence within six months after returning to sports.
TNF inhibitors increase the risk of nontuberculous mycobacteria in patients with seropositive rheumatoid arthritis in a mycobacterium tuberculosis endemic area
Authors: Park Dong Won , Kim Yun Jin , Sung Yoon-Kyoung , Chung Sung Jun , Yeo Yoomi , Park Tai Sun , Lee Hyun , Moon Ji-Yong , Kim Sang-Heon , Kim Tae-Hyung , Yoon Ho Joo , Sohn Jang Won
Published: March 2022

The aim of this study is to examine the impact of tumor necrosis factor inhibitors (TNFI) on nontuberculous mycobacterium (NTM) infection in rheumatoid arthritis (RA) patients in a mycobacterium tuberculosis (MTB) endemic area. We selected 1089 TNFI-treated RA patients and 4356 untreated RA patients using propensity-matching analysis according to age, gender, and Charlson comorbidity index using the Korean National Health Insurance Service database from July 2009 to December 2010. Both groups were followed-up until the end of 2016 to measure the incidence of mycobacterial diseases. The incidence rate of NTM in TNFI-treated RA group was similar to those of MTB (328.1 and 340.9 per 100,000 person-years, respectively). The adjusted hazard ratio (aHR) of NTM for TNFI-treated RA compared to untreated RA was 1.751(95% CI 1.105–2.774). The risk of TNFI-associated NTM in RA was 2.108-fold higher among women than men. The age-stratified effects of TNFI on NTM development were significantly high in RA patients aged 50–65 years (aHR 2.018). RA patients without comorbidities had a higher incidence of NTM following TNFI treatment (aHR 1.742). This real-world, observational study highlights the need to increase awareness of NTM in TNFI-treated RA patients in an MTB endemic area.
An ultrasensitive microfluidic approach reveals correlations between the physico-chemical and biological activity of experimental peptide antibiotics
Authors: Cama Jehangir , Al Nahas Kareem , Fletcher Marcus , Hammond Katharine , Ryadnov Maxim G. , Keyser Ulrich F. , Pagliara Stefano
Published: March 2022

Antimicrobial resistance challenges the ability of modern medicine to contain infections. Given the dire need for new antimicrobials, polypeptide antibiotics hold particular promise. These agents hit multiple targets in bacteria starting with their most exposed regions—their membranes. However, suitable approaches to quantify the efficacy of polypeptide antibiotics at the membrane and cellular level have been lacking. Here, we employ two complementary microfluidic platforms to probe the structure–activity relationships of two experimental series of polypeptide antibiotics. We reveal strong correlations between each peptide’s physicochemical activity at the membrane level and biological activity at the cellular level. We achieve this knowledge by assaying the membranolytic activities of the compounds on hundreds of individual giant lipid vesicles, and by quantifying phenotypic responses within clonal bacterial populations with single-cell resolution. Our strategy proved capable of detecting differential responses for peptides with single amino acid substitutions between them, and can accelerate the rational design and development of peptide antimicrobials.
Impact behaviour of 3D printed cellular structures for mouthguard applications
Authors: Saunders John , Lißner Maria , Townsend David , Petrinic Nik , Bergmann Jeroen
Published: March 2022

Ethylene-Vinyl Acetate (EVA) is the most popular material for manufacturing mouthguards. However, EVA mouthguards are problematic, for example inconsistent thicknesses across the mouthguard. Additive manufacturing provides a promising solution to this problem, as it can manufacture mouthguards with a greater precision. This paper compares the energy dissipation of EVA, the current material used for mouthguards, to various designs of a 3D printed material, some of which contain air cells. Impact testing was carried out at three different strain rates. The Split-Hopkinson bar was used for medium and high strain rate tests, and an Instron test rig was used for low strain rate testing. The best performing design dissipated 25% more energy than EVA in the medium and high strain rate testing respectively while the low strain rate testing was inconclusive. This research has shown that additive manufacturing provides a viable method of manufacturing mouthguards. This opens up the opportunity for embedding electronics/sensors into additive manufactured mouthguards.
In-situ interfacial compatibilization via edge-sulfurated few layer graphene during the formation of crosslinked graphene-rubber nanocomposites
Authors: Krishnan Sangeeth , M.G Maya , Das Akhil , Bhargavan Suja , Ganesan Krithika , Sivaram Swaminathan , Vadivelu Prabha , Ragupathy Lakshminarayanan
Published: March 2022

Herein, we report various physico-chemical approaches to probe the nature of the interface between few layers graphene (FLG) and carboxylated nitrile rubber (XNBR) nanocomposites prepared through efficient blending of XNBR latex with an aqueous dispersion of FLG. The extent of physical interaction between FLG and XNBR was investigated using Lorentz–Park and Cunneen–Russell models. The chemical interface between FLG and sulfur crosslinked XNBR was studied using model reactions between sulfur and graphene in presence of zinc 2-mercaptobenzothiazole (ZMBT). We propose that an edge sulfurated FLG is formed, which could chemically bond with XNBR during the vulcanization process. Density Functional Theory (DFT) was employed to unravel the mechanistic insights, which support this hypothesis and suggest a kinetically favorable sulfuration of both XNBR and FLG. The formation of a chemical bond between edge-FLG and XNBR through the proposed intermediacy of sulfurated FLG leads to the observed improvement in mechanical properties of the nanocomposites.
Alpha and theta peak frequency track on- and off-thoughts
Authors: Hua Jingyu , Wolff Annemarie , Zhang Jianfeng , Yao Lin , Zang Yufeng , Luo Jing , Ge Xianliang , Liu Chang , Northoff Georg
Published: March 2022

Our thoughts are highly dynamic in their contents. At some points, our thoughts are related to external stimuli or tasks focusing on single content (on-single thoughts), While in other moments, they are drifting away with multiple simultaneous items as contents (off-multiple thoughts). Can such thought dynamics be tracked by corresponding neurodynamics? To address this question, here we track thought dynamics during post-stimulus periods by electroencephalogram (EEG) neurodynamics of alpha and theta peak frequency which, as based on the phase angle, must be distinguished from non-phase-based alpha and theta power. We show how, on the psychological level, on-off thoughts are highly predictive of single-multiple thought contents, respectively. Using EEG, on-single and off-multiple thoughts are mediated by opposite changes in the time courses of alpha (high in on-single but low in off-multiple thoughts) and theta (low in on-single but high in off-multiple thoughts) peak frequencies. In contrast, they cannot be distinguished by frequency power. Overall, these findings provide insight into how alpha and theta peak frequency with their phase-related processes track on- and off-thoughts dynamically. In short, neurodynamics track thought dynamics.
Reading and erasing of the phosphonium analogue of trimethyllysine by epigenetic proteins
Authors: Belle Roman , Kamps Jos J. A. G. , Poater Jordi , Kumar Kiran , Pieters Bas J. G. E. , Salah Eidarus , Claridge Timothy D. W. , Paton Robert S. , Bickelhaupt F. Matthias , Kawamura Akane , Schofield Christopher J. , Mecinović Jasmin
Published: March 2022

Nε-Methylation of lysine residues in histones plays an essential role in the regulation of eukaryotic transcription. The ‘highest’ methylation mark, Nε-trimethyllysine, is specifically recognised by Nε-trimethyllysine binding ‘reader’ domains, and undergoes demethylation, as catalysed by 2-oxoglutarate dependent JmjC oxygenases. We report studies on the recognition of the closest positively charged Nε-trimethyllysine analogue, i.e. its trimethylphosphonium derivative (KPme3), by Nε-trimethyllysine histone binding proteins and Nε-trimethyllysine demethylases. Calorimetric and computational studies with histone binding proteins reveal that H3KP4me3 binds more tightly than the natural H3K4me3 substrate, though the relative differences in binding affinity vary. Studies with JmjC demethylases show that some, but not all, of them can accept the phosphonium analogue of their natural substrates and that the methylation state selectivity can be changed by substitution of nitrogen for phosphorus. The combined results reveal that very subtle changes, e.g. substitution of nitrogen for phosphorus, can substantially affect interactions between ligand and reader domains / demethylases, knowledge that we hope will inspire the development of highly selective small molecules modulating their activity.
The unexpectedly short Holocene Humid Period in Northern Arabia
Authors: Neugebauer Ina , Dinies Michèle , Plessen Birgit , Dräger Nadine , Brauer Achim , Brückner Helmut , Frenzel Peter , Gleixner Gerd , Hoelzmann Philipp , Krahn Kim J. , Pint Anna , Schwab Valérie F. , Schwarz Anja , Tjallingii Rik , Engel Max
Published: March 2022

The early to middle Holocene Humid Period led to a greening of today’s arid Saharo-Arabian desert belt. While this phase is well defined in North Africa and the Southern Arabian Peninsula, robust evidence from Northern Arabia is lacking. Here we fill this gap with unprecedented annually to sub-decadally resolved proxy data from Tayma, the only known varved lake sediments in Northern Arabia. Based on stable isotopes, micro-facies analyses and varve and radiocarbon dating, we distinguish five phases of lake development and show that the wet phase in Northern Arabia from 8800–7900 years BP is considerably shorter than the commonly defined Holocene Humid Period (~11,000–5500 years BP). Moreover, we find a two century-long peak humidity at times when a centennial-scale dry anomaly around 8200 years BP interrupted the Holocene Humid Period in adjacent regions. The short humid phase possibly favoured Neolithic migrations into Northern Arabia representing a strong human response to environmental changes.
Parameter free evaluation of SN2 reaction rates for halide substitution in halomethane
Authors: Bortoli Marco , Campeggio Jonatan , Orian Laura , Zerbetto Mirco , Polimeno Antonino
Published: March 2022

We present a multiscale, parameter-free approach to the estimation of a series of archetypal SN2 substitutions of halides in halomethane.
Binding affinity and conformation of a conjugated AS1411 aptamer at a cationic lipid bilayer interface
Authors: Li Penghua , Wang Liqun , Sun Meng , Yao Jiyuan , Li Wenhui , Lu Wangting , Zhou Youhua , Zhang Geng , Hu Chenglong , Zheng Wanquan , Wei Feng
Published: March 2022

The interfacial behaviors of conjugated AS1411 molecules at lipid bilayer interfaces were investigated by SFG-VS. The AS1411 molecules at the DMTAP bilayer show a higher binding affinity but a slower binding kinetics compared to the DMDAP bilayer.
Property–activity relations of multifunctional reactive ensembles in cation-exchanged zeolites: a case study of methane activation on Zn2+-modified zeolite BEA
Authors: Kolganov Alexander A. , Gabrienko Anton A. , Chernyshov Ivan Yu. , Stepanov Alexander G. , Pidko Evgeny A.
Published: March 2022

Periodic DFT calculations highlight the importance of an ensemble representation of the extra-framework active sites in metal-containing zeolites. Their reactivity is controlled by the interplay of the Lewis acidity of the cation, local basicity and the geometry of the zeolite matrix.
Tuning the chemoselectivity of the Pd-catalysed hydrogenation of pyridinecarbonitriles: an efficient and simple method for preparing pyridyl- or piperidylmethylamines
Authors: Lévay Krisztina , Madarász János , Hegedűs László
Published: March 2022

Differentiation between the products can be fine-tuned by simply adjusting the amount of acidic additive.
A dynamic view on the chemical composition and bioactive properties of mulberry fruit using anin vitrodigestion and fermentation model
Authors: Dou Zu-Man , Chen Chun , Fu Xiong , Liu Rui-Hai
Published: March 2022

Mulberry is a kind of fruit rich in nutrients, however, the beneficial effects of mulberry fruits are related not only to the amount consumed, but also to the bioavailability of these nutrients in the organism.
Ginsenoside Rk1 regulates glutamine metabolism in hepatocellular carcinoma through inhibition of the ERK/c-Myc pathway
Authors: Lu Haoping , Yin Huayu , Qu Linlin , Ma Xiaoxuan , Fu Rongzhan , Fan Daidi
Published: March 2022

Diagram of possible mechanisms by which Rk1 exerts a proliferation-inhibiting effect in HCC.
Electrospinning based on benign solvents: current definitions, implications and strategies
Authors: Avossa Joshua , Herwig Gordon , Toncelli Claudio , Itel Fabian , Rossi René Michel
Published: March 2022

A building block approach, using a variety of benign solvent compositions and additives, offers a continuously developing strategy to render solvent-based electrospinning increasingly sustainable for the generation of polymer nanofibers.
Tetra-primer ARMS-PCR combined with dual-color fluorescent lateral flow assay for the discrimination of SARS-CoV-2 and its mutations with a handheld wireless reader
Authors: Wang Yunxiang , Chen Hong , Wei Hongjuan , Rong Zhen , Wang Shengqi
Published: March 2022

Wild-type SARS-CoV-2 or its D614G and N501Y mutations can be selectively amplified by tetra-primer ARMS-PCR and detected by two test lines on a single dual-color fluorescent test strip with a handheld wireless device.
RGB-multicolor fluorescent carbon dots by changing the reaction solvent type for white light-emitting diodes
Authors: Lei Xiangshan , Li Dan , Chen Yajun , Liu Qingdong , Yan Qifang , Wang Jiao , Han Bingyan , He Gaohong , An Baigang
Published: March 2022

RGB-multicolor fluorescent carbon dots from o-phenylenediamine and phenylalanine by changing the solvent type and for white light-emitting diodes.
Monodispersed copper phosphide nanocrystals in situ grown in a nitrogen-doped reduced graphene oxide matrix and their superior performance as the anode for lithium-ion batteries
Authors: Guo Chenfeng , Pan Kai , Xie Ying , Li Li
Published: March 2022

In the present work, a nanocomposite anode material consisting fully of monodispersed Cu3P nanocrystals in situ grown in three-dimensional nitrogen-doped reduced graphene oxide matrices has been manufactured via a “heating up” synthesis method.
Fluoranthene dyes for the detection of water content in methanol
Authors: Liu Yu-Chen , Lu Guo-Dan , Zhou Jia-Hui , Rong Jie-Wei , Liu Hui-Yan , Wang Hai-Ying
Published: March 2022

Novel fluoranthene dyes were obtained by cycloaddition reactions. The fluorescence spectra in different polar organic solvents were investigated, indicating that these dyes can be used to detect the water content in organic solvents as probes.
Sodium-ion diffusion studies of the cathode–electrolyte interfaces (NaxO2@Na2CO3, x=1 and 2) and discharge products of non-aqueous rechargeable sodium–air batteries
Authors: Benti Natei Ermias , Gurmesa Gamachis Sakata , Geffe Chernet Amente , Mohammed Ahmed Mustefa , Tiruye Girum Ayalneh , Mekonnen Yedilfana Setarge
Published: March 2022

Sodium–air batteries have superior theoretical specific energy to existing secondary batteries, even compared to state-of-the-art secondary lithium-ion batteries (LIBs).
Nitrative bicyclization of 1,7-diynes for accessing skeletally diverse tricyclic pyrroles
Authors: Wang Lu , Zhang Yin , Miao An-Qi , Zhang Tian-Shu , Wang Xiang , Hao Wen-Juan , Tu Shu-Jiang , Jiang Bo
Published: March 2022

A new metal-free nitrative bicyclization of 1,7-diynes with tBuONO in the presence of H2O is reported, producing three types of skeletally diverse tricyclic pyrroles with moderate to good yields by simply tuning the linkers of the 1,7-diynes.
A series of isostructural lanthanide metal–organic frameworks: effective fluorescence sensing for Fe3+, 2,4-DNP and 4-NP
Authors: Hu Qianlan , Xu Tong , Gu Jiaming , Zhang Lirong , Liu Yunling
Published: March 2022

A series of isostructural lanthanide metal–organic frameworks were constructed under solvothermal conditions. Among them, JLU-MOF201-Y and JLU-MOF201-Tb display high sensitivity and selectivity for Fe3+, 2,4-dinitrophenol and 4-hydroxyderricin.
Detection of remote proton–nitrogen correlations by 1H-detected 14N overtone solid-state NMR at fast MAS
Authors: Duong Nghia Tuan , Nishiyama Yusuke
Published: March 2022

Remote proton–nitrogen correlations are efficiently observed by 1H-detected 14N overtone solid-state NMR.
Microbiome-metabolomics deciphers the effects of Cistanche deserticola polysaccharides on aged constipated rats
Authors: Liu Xiaojie , Jian Chen , Li Mengyu , Wei Fuxiao , Liu Huanle , Qin Xuemei
Published: March 2022

CDPS improves the constipation symptoms of the aged rats.
Correction: N-Acetylglucosamine as a platform chemical produced from renewable resources: opportunity, challenge, and future prospects
Authors: Cao Shuling , Liu Yuxi , Shi Linming , Zhu Wanbin , Wang Hongliang
Published: March 2022

Correction for ‘N-acetylglucosamine as a platform chemical produced from renewable resources: opportunity, challenge, and future prospects’ by Shuling Cao et al., Green Chem., 2022, 24, 493–509, DOI: 10.1039/D1GC03725K.
The role of synthesis vis-à-vis the oxygen vacancies of Co3O4 in the oxygen evolution reaction
Authors: Roy Saraswati , Devaraj Nayana , Tarafder Kartick , Chakraborty Chanchal , Roy Sounak
Published: March 2022

The combustion synthesized Co3O4 due to high oxygen vacancies exhibited a significant oxygen evolution reaction as has been probed by electrocatalytic experiments and DFT calculations.
Efficient synthesis of bisulfide-bridged bicyclopeptides by intramolecular photoinduced electron transfer cycloreaction
Authors: Xiao Shimei , Zhao Lishuang , Yan Rui , Zhang Huanli , Liu Jiawen , Wang Zhiqiang , Tan Guanghui , Jin Yingxue
Published: March 2022

Nine bisulfide-bridged bicyclopeptides were synthesized firstly by intramolecular photoinduced electron transfer cyclo-reaction usingl-cystine as the linker.
Identification of glycolaldehyde, the simplest sugar, in plant systems
Authors: Li Yuehui , Si Duanhui , Shang Wenzhe , Wang Jing , Guo Jingya , Zhang Naitian , Hao Ce , Shi Yantao
Published: March 2022

Glycolaldehyde, a C2 compound, is the simplest sugar molecule, but whether it inherently exists in plants remains unclear due to its complicated existence form in different reaction conditions.
Correction: Effect of a chelating agent at different pH on the spectroscopic and structural properties of microwave derived hydroxyapatite nanoparticles: a bone mimetic material
Authors: Mishra Vijay Kumar , Bhattacharjee Birendra Nath , Kumar Devendra , Rai Shyam Bahadur , Parkash Om
Published: March 2022

Correction for ‘Effect of a chelating agent at different pH on the spectroscopic and structural properties of microwave derived hydroxyapatite nanoparticles: a bone mimetic material’ by Vijay Kumar Mishra et al., New J. Chem., 2016, 40, 5432–5441, DOI: 10.1039/C5NJ03322E.
Modifications, biological origin and antibacterial activity of naphthalenoid ansamycins
Authors: Skrzypczak Natalia , Przybylski Piotr
Published: March 2022

This report concerns biosyntheses, structural division and mechanism of biological potency in view of conformation and zwitterionization of naphthalenoid ansamycins. These macrolactams are discussed especially in view of antibacterial effects.
Introduction to the themed collection on synthetic methodologies for complex macromolecular structures in honour of Prof. Yusuf Yagci's 70th birthday
Authors: Mutlu Hatice , Du Prez Filip E. , Becer C. Remzi
Published: March 2022

Hatice Mutlu, Filip Du Prez and Remzi Becer present the Polymer Chemistry themed collection on synthetic methodologies for complex macromolecular structures in honour of Prof. Yusuf Yagci's 70th birthday.
Amorphous–crystalline FeNi2S4@NiFe–LDH nanograsses with molten salt as an industrially promising electrocatalyst for oxygen evolution
Authors: Wang Fu-Li , Yu Zhang Xin- , Zhou Jian-Cheng , Shi Zhuo-Ning , Dong Bin , Xie Jing-Yi , Dong Yi-Wen , Yu Jian-Feng , Chai Yong-Ming
Published: March 2022

The hydrolysis of S ion FeNi2S4 can promote the in-situ formation of ultrathin amorphous NiFe–LDH grown in situ on crystalline FeNi2S4, which can not only improve activity but also significantly enhance stability for oxygen evolution reaction.
Phosphorus doped two-dimensional CoFe2O4 nanobelts decorated with Ru nanoclusters and Co–Fe hydroxide as efficient electrocatalysts toward hydrogen generation
Authors: Yu Wenli , Chen Zhi , Xiao Weiping , Chai Yongming , Dong Bin , Wu Zexing , Wang Lei
Published: March 2022

Phosphorus doped two-dimensional CoFe2O4 nanobelts decorated with Ru and CoFe hydroxide clusters on iron foam (CoFeOxHy–Ru/P–CoFe2O4/IF) are synthesized as efficient electrocatalysts for the highly electrocatalytic HER.
Graphene oxide based crosslinker for simultaneous enhancement of mechanical toughness and self-healing capability of conventional hydrogels
Authors: Rumon Md. Mahamudul Hasan , Sarkar Stephen Don , Uddin Md. Mosfeq , Alam Md. Mahbub , Karobi Sadia Nazneen , Ayfar Aruna , Azam Md. Shafiul , Roy Chanchal Kumar
Published: March 2022

Introduction of a two-dimensional graphene oxide-based crosslinker simultaneously improve the mechanical and self-healing properties of hydrogels by offering an interesting combination of covalent and reversible hydrogen bonds to polymer backbones.
RbSnX3 (X = Cl, Br, I): promising lead-free metal halide perovskites for photovoltaics and optoelectronics
Authors: Rahman Md. Habibur , Jubair Md. , Rahaman Md. Zahidur , Ahasan Md. Shamim , Ostrikov Kostya (Ken) , Roknuzzaman Md
Published: March 2022

This work summarizes that RbSnX3 (X = Cl, Br, I) exhibits remarkable ductility and absorption in the ultraviolet (UV) region of the electromagnetic spectrum compared to those of CsBX3 (B = Ge, Sn, Pb; X = Cl, Br, I) metal halide perovskites.
In situ construction of flower-like CoP-in-carbon anode materials for high-rate and long-term lithium ion batteries
Authors: Ding Chuan , Wang Wei , Wang Min , Zeng Xueqin , Xu Weilong , Liu Tianyu
Published: March 2022

CoP/C nanoflowers featured with extremely high rate capacity and cycling stability were successfully synthesized through a simple acetate assisted solvothermal process and subsequent in situ transformation.
In situ growth of crystalline carbon nitride on LaOCl for photocatalytic overall water splitting
Authors: Lin Yuan , Wang Xuxu , Fu Xianzhi , Su Wenyue
Published: March 2022

In situ growth of crystalline carbon nitride on LaOCl with enhanced transfer and separation of photogenerated carriers for efficient photocatalytic overall water splitting.
Nitric oxide reduction reaction for efficient ammonia synthesis on topological nodal-line semimetal Cu2Si monolayer
Authors: Ren Zebin , Zhang Haona , Wang Shuhua , Huang Baibiao , Dai Ying , Wei Wei
Published: March 2022

NH3 synthesis from NO occurs spontaneously on the Cu2Si monolayer and the importance of p-block elements in electrocatalysis is revealed.
Recent progress and perspectives on single-atom catalysis
Authors: Lin Zhiqun , Escudero-Escribano María , Li Jun
Published: March 2022

Zhiqun Lin, María Escudero-Escribano and Jun Li introduce the Journal of Materials Chemistry A themed issue on single-atom catalysis.
Current state of Industrial Symbiosis and Energy Efficiency in the European energy intensive sectors
Authors: Branca Teresa Annunziata , Colla Valentina , Fornai Barbara , Petrucciani Alice , Pistelli Maria Ilaria , Faraci Eros Luciano , Cirilli Filippo , Schröder Antonius Johannes
Published: March 2022

The implementation of Industrial Symbiosis and Energy Efficiency is linked to the ongoing technological development. New technologies can lead to an increased up-take of these concepts, which affect all areas of process industries and involve the whole workforce. The present paper describes part of the work developed in the early stage of a current Erasmus+ project entitled “Skills Alliance for Industrial Symbiosis: A Cross-sectoral Blueprint for a Sustainable Process Industry (SPIRE-SAIS)”. Such project aims at developing an industry-driven and proactive skills strategy to assist the implementation and exploitation of Industrial Symbiosis and Energy Efficiency across the energy-intensive industrial sectors, which are represented by the association of Sustainable Process Industry through Resource and Energy Efficiency (SPIRE). The main aspects of the current state of implementation of Industrial Symbiosis and Energy Efficiency in European process industries are analyzed. In addition, upcoming techniques and developments are taken into account for the main considered sectors, e.g., Iron and Steel, Chemical, Non-ferrous Metals, Mineral, Water, Ceramics, and Cement. Achieved results on implementation of technologies and practices based on Industrial Symbiosis and Energy Efficiency, as well as new challenges coming from their accomplishments are considered. Companies’ perceptions on future implementation of Industrial Symbiosis and Energy Efficiency are explored, together with possible barriers resulting in implementation practices and expected solutions to satisfy related ongoing and future skill demands.
Die senile Katarakt
Authors: Neuhann Irmingard , Neuhann Lukas , Neuhann Thomas
Published: March 2022

Die Vorstellung der alten Griechen war, dass eine trübe Flüssigkeit über das Auge herabrinne – daher die vom Verb καταρρηγνυναι = herabfließen hergeleitete Bezeichnung. Diese Auffassung zur
Pathophysiologie der Katarakt hat sich heute grundlegend geändert.