bluuebunny/crossref_metadata_2025 huggingface dataset:
On the Spin‐Up Strategy for Spatial Modeling of Permafrost Dynamics: A Case Study on the Qinghai‐Tibet Plateau
Authors: Ji Hailong , Nan Zhuotong , Hu Jianan , Zhao Yi , Zhang Yaonan
Published: February 2022

Spin‐up is essential to provide initial conditions for land surface models (LSM) when they cannot be given reliably as in the application to regional permafrost change studies. In this study, the impacts of spin‐up strategy including total spin‐up length and cycling scheme on modeling of permafrost dynamics on the Qinghai‐Tibet Plateau (QTP) were evaluated through two groups of experiments using a modified Noah LSM. The first group aims to test different total spin‐up lengths and the second group for different cycling schemes. The results show that the presence of permafrost prolongs the convergence of the model. Vertically, the slowest convergence is observed at the permafrost table. The insufficiency of total spin‐up length is prone to underestimate permafrost area and overestimate the degradation rate. Different cycling schemes considerably affect the resulting initial thermal fields and result in degradation rates with a difference of 3.37 × 103 km2/a on the QTP, which exceeds the difference (2.92 × 103 km2/a) in the degradation rates reported in existing studies. The multi‐year cycling scheme is generally preferred, but overlong cycle length should be avoided to prevent the introduction of climate change trends in the spin‐up period. We recommend a spin‐up strategy of a 500‐year cycling with the first 5‐ to 10‐year of forcing for modeling permafrost on the QTP with the Noah LSM. Our findings highlight the importance of the spin‐up strategy, which is usually neglected in present LSM‐based permafrost modeling studies.
Electroencephalographic studies in growth-restricted and small-for-gestational-age neonates
Authors: Stevenson Nathan J. , Lai Melissa M. , Starkman Hava E. , Colditz Paul B. , Wixey Julie A.
Published: February 2022

Foetal growth restriction (FGR) and being born small for gestational age (SGA) are associated with neurodevelopmental delay. Early diagnosis of neurological damage is difficult in FGR and SGA neonates. Electroencephalography (EEG) has the potential as a tool for the assessment of brain development in FGR/SGA neonates. In this review, we analyse the evidence base on the use of EEG for the assessment of neonates with FGR or SGA. We found consistent findings that FGR/SGA is associated with measurable changes in the EEG that present immediately after birth and persist into childhood. Early manifestations of FGR/SGA in the EEG include changes in spectral power, symmetry/synchrony, sleep–wake cycling, and the continuity of EEG amplitude. Later manifestations of FGR/SGA into infancy and early childhood include changes in spectral power, sleep architecture, and EEG amplitude. FGR/SGA infants had poorer neurodevelopmental outcomes than appropriate for gestational age controls. The EEG has the potential to identify FGR/SGA infants and assess the functional correlates of neurological damage.

Impact

FGR/SGA neonates have significantly different EEG activity compared to AGA neonates.

EEG differences persist into childhood and are associated with adverse neurodevelopmental outcomes.

EEG has the potential for early identification of brain impairment in FGR/SGA neonates.
Personality traits associate with behavioral problems in pet dogs
Authors: Salonen Milla , Mikkola Salla , Hakanen Emma , Sulkama Sini , Puurunen Jenni , Lohi Hannes
Published: February 2022

Personality traits, especially neuroticism, strongly predict psychopathology. The domestic dog (Canis lupus familiaris Linnaeus, 1758) is used as a natural model for psychiatric disorders, but the similarity between dog and human personality and the association between dog personality and unwanted behavioral traits, such as fearfulness, aggressiveness, and impulsivity/inattention, remain unknown. This study utilized structural equation modeling (SEM) with survey data of 11,360 dogs to examine the associations and correlations between seven personality and ten unwanted behavioral traits. Personality traits included insecurity, energy, training focus, aggressiveness/dominance, human sociability, dog sociability, and perseverance. Unwanted behavioral traits included fearfulness, noise sensitivity, fear of surfaces/heights, separation anxiety, barking, stranger-directed aggression, owner-directed aggression, dog-directed aggression, hyperactivity/impulsivity, and inattention. We first fitted confirmatory factor models for the unwanted behavioral traits and the best model grouped unwanted behaviors into four latent traits: fear-related behavior, fear-aggression, aggression, and impulsivity/inattention and used this structure in the subsequent SEM model. Especially, insecurity, which resembles the human neuroticism trait, was strongly associated with unwanted behavior, paralleling the association between neuroticism and psychopathology. Similarly, training focus, resembling conscientiousness, was negatively related to impulsivity/inattention, and aggressiveness/dominance was associated with aggressive behaviors, resembling associations of conscientiousness and agreeableness with attention deficit hyperactivity disorder and aggression-related psychopathology, respectively. These results indicate that dog personality traits resemble human personality traits, suggesting that their neurological and genetic basis may also be similar and making the dog a suitable animal model for human behavior and psychiatric disorders.
Genetic associations of protein-coding variants in human disease
Authors: Sun Benjamin B. , Kurki Mitja I. , Foley Christopher N. , Mechakra Asma , Chen Chia-Yen , Marshall Eric , Wilk Jemma B. ,   Biogen Biobank Team, Sun Benjamin B. , Ghen Chia-Yen , Marshall Eric , Wilk Jemma B. , Runz Heiko , Chahine Mohamed , Chevalier Philippe , Christé Georges ,   FinnGen, Kurki Mitja I. , Palotie Aarno , Daly Mark J. , Palotie Aarno , Daly Mark J. , Runz Heiko
Published: February 2022

Genome-wide association studies (GWAS) have identified thousands of genetic variants linked to the risk of human disease. However, GWAS have so far remained largely underpowered in relation to identifying associations in the rare and low-frequency allelic spectrum and have lacked the resolution to trace causal mechanisms to underlying genes1. Here we combined whole-exome sequencing in 392,814 UK Biobank participants with imputed genotypes from 260,405 FinnGen participants (653,219 total individuals) to conduct association meta-analyses for 744 disease endpoints across the protein-coding allelic frequency spectrum, bridging the gap between common and rare variant studies. We identified 975 associations, with more than one-third being previously unreported. We demonstrate population-level relevance for mutations previously ascribed to causing single-gene disorders, map GWAS associations to likely causal genes, explain disease mechanisms, and systematically relate disease associations to levels of 117 biomarkers and clinical-stage drug targets. Combining sequencing and genotyping in two population biobanks enabled us to benefit from increased power to detect and explain disease associations, validate findings through replication and propose medical actionability for rare genetic variants. Our study provides a compendium of protein-coding variant associations for future insights into disease biology and drug discovery.
Low-dose metformin targets the lysosomal AMPK pathway through PEN2
Authors: Ma Teng , Tian Xiao , Zhang Baoding , Li Mengqi , Wang Yu , Yang Chunyan , Wu Jianfeng , Wei Xiaoyan , Qu Qi , Yu Yaxin , Long Shating , Feng Jin-Wei , Li Chun , Zhang Cixiong , Xie Changchuan , Wu Yaying , Xu Zheni , Chen Junjie , Yu Yong , Huang Xi , He Ying , Yao Luming , Zhang Lei , Zhu Mingxia , Wang Wen , Wang Zhi-Chao , Zhang Mingliang , Bao Yuqian , Jia Weiping , Lin Shu-Yong , Ye Zhiyun , Piao Hai-Long , Deng Xianming , Zhang Chen-Song , Lin Sheng-Cai
Published: February 2022

Metformin, the most prescribed antidiabetic medicine, has shown other benefits such as anti-ageing and anticancer effects1–4. For clinical doses of metformin, AMP-activated protein kinase (AMPK) has a major role in its mechanism of action4,5; however, the direct molecular target of metformin remains unknown. Here we show that clinically relevant concentrations of metformin inhibit the lysosomal proton pump v-ATPase, which is a central node for AMPK activation following glucose starvation6. We synthesize a photoactive metformin probe and identify PEN2, a subunit of γ-secretase7, as a binding partner of metformin with a dissociation constant at micromolar levels. Metformin-bound PEN2 forms a complex with ATP6AP1, a subunit of the v-ATPase8, which leads to the inhibition of v-ATPase and the activation of AMPK without effects on cellular AMP levels. Knockout of PEN2 or re-introduction of a PEN2 mutant that does not bind ATP6AP1 blunts AMPK activation. In vivo, liver-specific knockout of Pen2 abolishes metformin-mediated reduction of hepatic fat content, whereas intestine-specific knockout of Pen2 impairs its glucose-lowering effects. Furthermore, knockdown of pen-2 in Caenorhabditis elegans abrogates metformin-induced extension of lifespan. Together, these findings reveal that metformin binds PEN2 and initiates a signalling route that intersects, through ATP6AP1, the lysosomal glucose-sensing pathway for AMPK activation. This ensures that metformin exerts its therapeutic benefits in patients without substantial adverse effects.
Reproducible neuroimaging features for diagnosis of autism spectrum disorder with machine learning
Authors: Mellema Cooper J. , Nguyen Kevin P. , Treacher Alex , Montillo Albert
Published: February 2022

Autism spectrum disorder (ASD) is the fourth most common neurodevelopmental disorder, with a prevalence of 1 in 160 children. Accurate diagnosis relies on experts, but such individuals are scarce. This has led to increasing interest in the development of machine learning (ML) models that can integrate neuroimaging features from functional and structural MRI (fMRI and sMRI) to help reveal central nervous system alterations characteristic of ASD. We optimized and compared the performance of 12 of the most popular and powerful ML models. Each was separately trained using 15 different combinations of fMRI and sMRI features and optimized with an unbiased model search. Deep learning models predicted ASD with the highest diagnostic accuracy and generalized well to other MRI datasets. Our model achieves state-of-the-art 80% area under the ROC curve (AUROC) in diagnosis on test data from the IMPAC dataset; and 86% and 79% AUROC on the external ABIDE I and ABIDE II datasets (with further improvement to 93% and 90% after supervised domain adaptation). The highest performing models identified reproducible putative biomarkers for accurate ASD diagnosis in accord with known ASD markers as well as novel cerebellar biomarkers. Such reproducibility lends credence to their tremendous potential for defining and using a set of truly generalizable ASD biomarkers that will advance scientific understanding of neuronal changes in ASD.
Interventional neurorehabilitation for promoting functional recovery post-craniotomy: a proof-of-concept
Authors: Poologaindran Anujan , Profyris Christos , Young Isabella M. , Dadario Nicholas B. , Ahsan Syed A. , Chendeb Kassem , Briggs Robert G. , Teo Charles , Romero-Garcia Rafael , Suckling John , Sughrue Michael E.
Published: February 2022

The human brain is a highly plastic ‘complex’ network—it is highly resilient to damage and capable of self-reorganisation after a large perturbation. Clinically, neurological deficits secondary to iatrogenic injury have very few active treatments. New imaging and stimulation technologies, though, offer promising therapeutic avenues to accelerate post-operative recovery trajectories. In this study, we sought to establish the safety profile for ‘interventional neurorehabilitation’: connectome-based therapeutic brain stimulation to drive cortical reorganisation and promote functional recovery post-craniotomy. In n = 34 glioma patients who experienced post-operative motor or language deficits, we used connectomics to construct single-subject cortical networks. Based on their clinical and connectivity deficit, patients underwent network-specific transcranial magnetic stimulation (TMS) sessions daily over five consecutive days. Patients were then assessed for TMS-related side effects and improvements. 31/34 (91%) patients were successfully recruited and enrolled for TMS treatment within two weeks of glioma surgery. No seizures or serious complications occurred during TMS rehabilitation and 1-week post-stimulation. Transient headaches were reported in 4/31 patients but improved after a single session. No neurological worsening was observed while a clinically and statistically significant benefit was noted in 28/31 patients post-TMS. We present two clinical vignettes and a video demonstration of interventional neurorehabilitation. For the first time, we demonstrate the safety profile and ability to recruit, enroll, and complete TMS acutely post-craniotomy in a high seizure risk population. Given the lack of randomisation and controls in this study, prospective randomised sham-controlled stimulation trials are now warranted to establish the efficacy of interventional neurorehabilitation following craniotomy.
Coastal marshes provide valuable protection for coastal communities from storm-induced wave, flood, and structural loss in a changing climate
Authors: Peter Sheng Y. , Paramygin Vladimir A. , Rivera-Nieves Adail A. , Zou Ruizhi , Fernald Sarah , Hall Timothy , Jacob Klaus
Published: February 2022

Wetlands such as tidal marshes and mangroves are known to buffer coastal communities from wave, flood, and structural loss during storms. Coastal communities and resource managers seek to understand the ecosystem service value of coastal wetlands for reducing storm-induced flood loss in a changing climate. A recent modeling study found that a tall and dense Phragmites-dominated Piermont Marsh reduced the flood loss in the Village of Piermont, New York, U.S.A. during Superstorm Sandy and the 1% annual chance flood and wave event by 8% and 11%, respectively. Here we used the same modeling approach to examine the marsh’s buffering capacity in a changing climate (from 2020 to 2100), considering a potential marsh restoration plan (from 2020 to 2025) and potential marsh loss due to sea-level rise. Results showed that from 2020 to 2100, the 1% annual chance flood, wave, and structural loss would increase due to sea-level rise, storms, and marsh loss. However, the marsh will buffer ~ 11–12% of structural loss until 2050. Under the extreme SLR scenario of 2.89 m and a low accretion rate, Piermont Marsh is expected to lose its buffering capacity by 2080–2100 but will retain some buffering capacity with a high accretion rate of 10 mm/year and marsh growth. The marsh’s buffering capacity will remain during extra-tropical storms during winter and spring unless the wind has a significant northerly component. Lessons learned from this study can be used by coastal communities and marsh managers to develop coastal resiliency and marsh restoration plan.
Enhancing neutralization of Plasmodium falciparum using a novel monoclonal antibody against the rhoptry-associated membrane antigen
Authors: Knudsen Anne S. , Walker Melanie R. , Agullet Judit P. , Björnsson Kasper H. , Bassi Maria R. , Barfod Lea
Published: February 2022

The pathogenesis of malaria is associated with blood-stage infection and there is strong evidence that antibodies specific to parasite blood-stage antigens can control parasitemia. This provides a strong rational for applying blood-stage antigen components in a multivalent vaccine, as the induced antibodies in combination can enhance protection. The Plasmodium falciparum rhoptry-associated membrane antigen (PfRAMA) is a promising vaccine target, due to its fundamental role in merozoite invasion and low level of polymorphism. Polyclonal antibodies against PfRAMA are able to inhibit P. falciparum growth and interact synergistically when combined with antibodies against P. falciparum reticulocyte-binding protein 5 (PfRh5) or cysteine-rich protective antigen (PfCyRPA). In this study, we identified a novel PfRAMA-specific mAb with neutralizing activity, which in combination with PfRh5- or PfCyRPA-specific mAbs potentiated the neutralizing effect. By applying phage display technology, we mapped the protective epitope to be in the C-terminal region of PfRAMA. Our results confirmed previous finding of synergy between PfRAMA-, PfRh5- and PfCyRPA-specific antibodies, thereby paving the way of testing these antigens (or fragments of these antigens) in combination to improve the efficacy of blood-stage malaria vaccines. The results emphasize the importance of directing antibody responses towards protective epitopes, as the majority of anti-PfRAMA mAbs were unable to inhibit merozoite invasion of erythrocytes.
Linking path and filament persistence lengths of microtubules gliding over kinesin
Authors: Sweet May , Kang’iri Samuel Macharia , Nitta Takahiro
Published: February 2022

Microtubules and kinesin motor proteins are involved in intracellular transports in living cells. Such intracellular material transport systems can be reconstructed for utilisation in synthetic environments, and they are called molecular shuttles driven by kinesin motors. The performance of the molecular shuttles depends on the nature of their trajectories, which can be characterized by the path persistence length of microtubules. It has been theoretically predicted that the path persistence length should be equal to the filament persistence length of the microtubules, where the filament persistence length is a measure of microtubule flexural stiffness. However, previous experiments have shown that there is a significant discrepancy between the path and filament persistence lengths. Here, we showed how this discrepancy arises by using computer simulation. By simulating molecular shuttle movements under external forces, the discrepancy between the path and filament persistence lengths was reproduced as observed in experiments. Our close investigations of molecular shuttle movements revealed that the part of the microtubules bent due to the external force was extended more than it was assumed in the theory. By considering the extended length, we could elucidate the discrepancy. The insights obtained here are expected to lead to better control of molecular shuttle movements.
Relationship between continuity of care and clinical outcomes in patients with dyslipidemia in Korea: a real world claims database study
Authors: Lee Juhee , Choi Eunyoung , Choo Eunjung , Linda Siachalinga , Jang Eun Jin , Lee Iyn-Hyang
Published: February 2022

Dyslipidemia is a risk factor for atherosclerotic cardiovascular disease and requires proactive management. This study aimed to investigate the association between care continuity and the outcomes of patients with dyslipidemia. We conducted a retrospective cohort study on patients with dyslipidemia by employing the Korea National Health Insurance claims database during the period 2007–2018. The Continuity of Care Index (COCI) was used to measure continuity of care. We considered incidence of atherosclerotic cardiovascular disease as a primary outcome. A Cox's proportional hazards regression model was used to quantify risks of primary outcome. There were 236,486 patients newly diagnosed with dyslipidemia in 2008 who were categorized into the high and low COC groups depending on their COCI. The adjusted hazard ratio for the primary outcome was 1.09 times higher (95% confidence interval: 1.06–1.12) in the low COC group than in the high COC group. The study shows that improved continuity of care for newly-diagnosed dyslipidemic patients might reduce the risk of atherosclerotic cardiovascular disease.
RETRACTED ARTICLE: Type 1 diabetes and the challenges of emotional support in crisis situations: results from a randomized clinical trial of a multidisciplinary teleintervention
Authors: Alessi Janine , Becker Alice Scalzilli , Amaral Bibiana , de Oliveira Giovana Berger , Franco Debora Wilke , Knijnik Carolina Padilla , Kobe Gabriel Luiz , de Brito Ariane , de Carvalho Taíse Rosa , Telo Guilherme Heiden , Schaan Beatriz D. , Telo Gabriela Heiden
Published: February 2022

The association between type 1 diabetes and mental health disorders could be exacerbated in a stressful environment. This study aimed to evaluate the effectiveness of a teleguided intervention on emotional disorders in patients with type 1 diabetes during the COVID-19 outbreak. An open-label clinical trial was performed during the social distancing period in the COVID-19 outbreak in Brazil. Individuals with type 1 diabetes aged ≥ 18 years were randomized to receive a teleguided multidisciplinary intervention or the usual care plus an educational website access. The primary outcome was a positive screening for emotional disorders (Self Report Questionnaire 20) after a 16-week intervention. Secondary outcomes included evaluation of patients’ perceptions of pandemic-related changes, diabetes-related emotional distress, eating disorders, and sleep disorders. Data were analyzed with the intent‐to‐treat principle. Fifty-eight individuals (mean age, 43.8 ± 13.6 years) were included (intervention group, n = 29; control group, n = 29). The primary outcome was not different between the groups. The intervention group felt more supported in their diabetes care during the social distancing period (82.8% vs. 48.3% in the control group, P < 0.01). Both groups reported a similar self-perceived worsening of physical activity habits and mental health during the outbreak. There was no benefit to using the telehealth strategy proposed for emotional disorders in patients with type 1 diabetes during the COVID-19 outbreak. Further studies are needed to determine the impact on metabolic parameters and to understand why it is so difficult to emotionally support these patients.

Trail Registration: ClinicalTrials.gov (NCT04344210), 14/04/2020.
Electrochemical evaluation of porous CaFe2O4 anode material prepared via solution combustion synthesis at increasing fuel-to-oxidizer ratios and calcination temperatures
Authors: Strimaitis Jacob , Danquah Samuel A. , Denize Clifford , Pradhan Sangram K. , Bahoura Messaoud
Published: February 2022

The drawbacks of common anodes in lithium-ion batteries (LIBs) and hybrid supercapacitors (HSCs), such as the high voltage plateau of Li4Ti5O12 (1.55 V vs. Li/Li+) and the moderate capacity of graphite (372 mAh-g-1), have established a need for better materials. Conversion materials, and in particular iron oxide and CaFe2O4 (CFO), have amassed recent attention as potential anode replacements. In this study, we evaluate the material and electrochemical effects of the solution combustion synthesis (SCS) of porous CFO across novel fuel-to-oxidizer ratios and calcination temperatures. We demonstrate that nearly doubling the amount of fuel used during synthesis increases capacities between 120 and 150% at high current densities (~ 1000 mA-g-1) and across 500 additional charging-discharging cycles, an effect brought on in part by enhanced compositional purity in these samples. However, in order to ensure long-term cyclic stability, it is necessary to also calcine porous CFO to 900 °C to enhance crystallite size, particle size and spacing, and compositional purity.
Confusion matrix and minimum cross-entropy metrics based motion recognition system in the classroom
Authors: Wu Ming-Te
Published: February 2022

This research proposes a motion recognition system for early detection of students' physical aggressive behavior in the classroom. The motion recognition system recognizes physical attacks so that teachers can resolve disputes early to reduce other greater injuries. In the beginning, cameras were used in this system to monitor students’ classroom activities and to obtain body images by removing background and saliency maps. Two angles from arm to shoulder and shoulder to the center of the body are then measured and the velocity between the two frames from the movement of the body is detected, and use these angle and velocity values as the criterion for judging whether it is a physical attack. In the end, the accuracy of the proposed algorithms is verified by using the confusion matrix based on machine learning and the minimum cross entropy based on neural networks. The simulation proves that the proposed algorithm can correctly detect the attack behavior of the collected videos.
The effect of video-assisted discharge education after total hip replacement surgery: a randomized controlled study
Authors: Cetinkaya Eren Ozum , Buker Nihal , Tonak Hasan Atacan , Urguden Mustafa
Published: February 2022

This study aimed to investigate the effect of a video-assisted discharge education program on activities of daily living, functionality, and patient satisfaction following total hip replacement (THR) surgery. This study included 31 patients who were randomly divided into the physiotherapy group (n = 18), and the video-assisted discharge education (VADE) group (n = 13). Both groups received a physiotherapy program. The VADE group was also received the VADE program. Face-to-face instruction was used in all of the educational programs. There was a significant difference in favor of the VADE group in Harris Hip Score, Nottingham Extended Activities of Daily Living Scale’s movement score, Tampa Scale of Kinesiophobia, Patient Satisfaction Questionnaire (p < 0.05). There was a significant difference between groups on resting pain levels in the first week and on resting and activity pain levels in the third month in favor of the VADE group (p < 0.05). The results of this study demonstrated that VADE can be effective in improving patient satisfaction and functionality, reducing pain and kinesiophobia following THR.
Clinical feasibility of a contactless multiparameter continuous monitoring technology for neonates in a large public maternity hospital in Nairobi, Kenya
Authors: Ginsburg Amy Sarah , Zandi Nia Sahar , Chomba Dorothy , Dunsmuir Dustin , Waiyego Mary , Coleman Jesse , Ochieng Roseline , Liu Sichen , Zhou Guohai , Ansermino J. Mark , Macharia William M.
Published: February 2022

Multiparameter continuous physiological monitoring (MCPM) technologies are critical in the clinical management of high-risk neonates; yet, these technologies are frequently unavailable in many African healthcare facilities. We conducted a prospective clinical feasibility study of EarlySense’s novel under-mattress MCPM technology in neonates at Pumwani Maternity Hospital in Nairobi, Kenya. To assess feasibility, we compared the performance of EarlySense’s technology to Masimo’s Rad-97 pulse CO-oximeter with capnography technology for heart rate (HR) and respiratory rate (RR) measurements using up-time, clinical event detection performance, and accuracy. Between September 15 and December 15, 2020, we collected and analyzed 470 hours of EarlySense data from 109 enrolled neonates. EarlySense’s technology’s up-time per neonate was 2.9 (range 0.8, 5.3) hours for HR and 2.1 (range 0.9, 4.0) hours for RR. The difference compared to the reference was a median of 0.6 (range 0.1, 3.1) hours for HR and 0.8 (range 0.1, 2.9) hours for RR. EarlySense’s technology identified high HR and RR events with high sensitivity (HR 81%; RR 83%) and specificity (HR 99%; RR 83%), but was less sensitive for low HR and RR (HR 0%; RR 14%) although maintained specificity (HR 100%; RR 95%). There was a greater number of false negative and false positive RR events than false negative and false positive HR events. The normalized spread of limits of agreement was 9.6% for HR and 28.6% for RR, which met the a priori-identified limit of 30%. EarlySense’s MCPM technology was clinically feasible as demonstrated by high percentage of up-time, strong clinical event detection performance, and agreement of HR and RR measurements compared to the reference technology. Studies in critically ill neonates, assessing barriers and facilitators to adoption, and costing analyses will be key to the technology’s development and potential uptake and scale-up.
H3K27ac nucleosomes facilitate HMGN localization at regulatory sites to modulate chromatin binding of transcription factors
Authors: Zhang Shaofei , Postnikov Yuri , Lobanov Alexei , Furusawa Takashi , Deng Tao , Bustin Michael
Published: February 2022

Nucleosomes containing acetylated H3K27 are a major epigenetic mark of active chromatin and identify cell-type specific chromatin regulatory regions which serve as binding sites for transcription factors. Here we show that the ubiquitous nucleosome binding proteins HMGN1 and HMGN2 bind preferentially to H3K27ac nucleosomes at cell-type specific chromatin regulatory regions. HMGNs bind directly to the acetylated nucleosome; the H3K27ac residue and linker DNA facilitate the preferential binding of HMGNs to the modified nucleosomes. Loss of HMGNs increases the levels of H3K27me3 and the histone H1 occupancy at enhancers and promoters and alters the interaction of transcription factors with chromatin. These experiments indicate that the H3K27ac epigenetic mark enhances the interaction of architectural protein with chromatin regulatory sites and identify determinants that facilitate the localization of HMGN proteins at regulatory sites to modulate cell-type specific gene expression.
Development and validation of a robust and sensitive HPLC-MS/MS method for the quantitation of MRTX849 in plasma and its application in pharmacokinetics
Authors: Du Ping , Xuan Lingling , An Zhuoling , Zhang Yuhui
Published: February 2022

A novel, robust and sensitive HPLC-MS/MS method was firstly developed and fully validated for quantitating MRTX849 in plasma. This analytical method was successfully applied for a pharmacokinetic study of MRTX849 at a dose of 15 mg kg−1 in rats.
Nitrous acid (HONO) as a sink of the simplest Criegee intermediate in the atmosphere
Authors: Kumar Amit , Mallick Subhasish , Kumar Pradeep
Published: February 2022

In the present work, we have investigated the reaction of nitrous acid with the simplest Criegee intermediate using chemical kinetics and quantum chemical calculations.
Photoelectrochemistry of oxygen in rechargeable Li–O2 batteries
Authors: Du Dongfeng , Zhu Zhuo , Chan Kwong-Yu , Li Fujun , Chen Jun
Published: February 2022

This review summarizes the recent findings regarding photoinvolved oxygen cathodes, battery configurations, and the stability of Li–O2 batteries, and aims to provide a fundamental understanding of photoinvolved Li–O2 batteries.
Facile formation of black titania films using an atmospheric-pressure plasma jet
Authors: Sener M. Emre , Quesada-Cabrera Raul , Parkin Ivan P. , Caruana Daren J.
Published: February 2022

A rapid atmospheric-pressure pulsed helium/hydrogen plasma jet method for conversion of TiO2 films into defective, black TiO2 is demonstrated.
High affinity zoledronate-based metal complex nanocrystals to potentially treat osteolytic metastases
Authors: Quiñones Vélez Gabriel , Carmona-Sarabia Lesly , Rivera Raíces Alondra A. , Hu Tony , Peterson-Peguero Esther A. , López-Mejías Vilmalí
Published: February 2022

Formation of nano-Ca@ZOLE with viable properties in terms of structure, dissolution, stability, binding, and cytotoxicity, to render it suitable for osteolytic metastasis therapy.
Municipal solid waste incineration residues recycled for typical construction materials—a review
Authors: Chen Dan , Zhang Yingying , Xu Yao , Nie Qing , Yang Zhanbin , Sheng Wenyu , Qian Guangren
Published: February 2022

MSWI residues can be recycled for preparing construction materials (cast stone, glass-ceramic, cement and concrete) with little environmental impact after proper treatment.
Encapsulation of bioactive peptides: a strategy to improve the stability, protect the nutraceutical bioactivity and support their food applications
Authors: Aguilar-Toalá J. E. , Quintanar-Guerrero D. , Liceaga A. M. , Zambrano-Zaragoza M. L.
Published: February 2022

This review presents the advances, developments, and innovations over the last lustrum in the encapsulation of bioactive peptides. It describes encapsulating methods, opportunities, and challenges associated with their application.
Controlled supramolecular interaction to enhance the bioavailability of hesperetin to targeted cancer cells through graphyne: a comprehensive in silico study
Authors: Khan Maroof Ahmad , Iqbal Javed , Ilyas Mubashar , Ayub Ali Raza , Zhu Yanhong , Li Hui
Published: February 2022

In the current study, the drug carrier efficiency of graphyne (GRP) for the transfer of the hesperetin (HPT) drug is evaluated for the first time.
Molecular structure study on the polyelectrolyte properties of actin filaments
Authors: Manrique-Bedoya Santiago , Marucho Marcelo
Published: February 2022

Non-trivial molecular structure roughness and ion condensation contributions to the electrical conductivity and currents along single actin filaments.
Considering alternative reaction mechanisms: students’ use of multiple representations to reason about mechanisms for a writing-to-learn assignment
Authors: Watts Field M. , Park Grace Y. , Petterson Michael N. , Shultz Ginger V.
Published: February 2022

Organic reaction mechanisms are often represented by the electron-pushing formalism and reaction coordinate diagrams. These representations pose a challenge to students because valuable information is encoded within each representation, and students must know how to reason about mechanisms using both. Hence, it is important to understand whether and how students consider these two representations when reasoning about reaction mechanisms. We have collected responses to a writing-to-learn assignment administered in a second-semester organic chemistry laboratory course to investigate students’ reasoning. The assignment was designed to elicit students’ reasoning about the most likely of two mechanisms for a catalyzed intramolecular aldol reaction when given the electron-pushing scheme and reaction coordinate diagram for both mechanisms. As part of the assignment, students submitted initial drafts, participated in content-focused peer review, and submitted revised drafts. We analyzed each component using a mixed methods approach to identify students’ reasoning about the most likely reaction pathway and how their reasoning changed after peer review and revision. In this article, we present a quantitative overview of changes students made about their decisions for the most likely reaction pathway and how these changes are related to providing and receiving feedback. Additionally, we present our analysis of the features of representations students used to reason about the likelihood of alternative reaction mechanisms. This study demonstrates how existing research about students’ reasoning with representations was operationalized for classroom practice using writing-to-learn. Furthermore, the analysis illustrates how writing-to-learn to can be used to develop students’ reasoning and offers implications for teaching students to reason about reaction mechanisms using multiple representations.
Incorporation of free halide ions stabilizes metal–organic frameworks (MOFs) against pore collapse and renders large-pore Zr-MOFs functional for water harvesting
Authors: Lu Zhiyong , Duan Jiaxin , Du Liting , Liu Qin , Schweitzer Neil M. , Hupp Joseph T.
Published: February 2022

The incorporation of free halide ions into MOF-808 makes it a promising water-harvesting material with high working capacity and good cycle stability.
A slush-like polar structure for high energy storage performance in a Sr0.7Bi0.2TiO3 lead-free relaxor ferroelectric thin film
Authors: Luo Jin , Zhu Hao , Zheng Tianyang , Qian Hao , Liu Yunfei , Lyu Yinong
Published: February 2022

A slush-like polar structure with 2–4 nm multi-domains and low-angle domain walls, as the origin of the high energy storage performance in Sr0.7Bi0.2TiO3 thin films, is directly visualized and quantitively described.
Thiol-functionalized metal–organic frameworks embedded with chelator-modified magnetite for high-efficiency and recyclable mercury removal in aqueous solutions
Authors: Li Yuliang , Tan Mengxi , Liu Guangxia , Si Dunfeng , Chen Ning , Zhou Dongmei
Published: February 2022

A new adsorbent (Fe3O4@DTIM-MOF@SH) for aqueous Hg removal was synthesized. The surface S sites played a dominant role in Hg2+ capture. The adsorbent showed wide application and recyclability for Hg2+ adsorption.
Correction: A testis-derived macroporous 3D scaffold as a platform for the generation of mouse testicular organoids
Authors: Topraggaleh Tohid Rezaei , Rezazadeh Valojerdi Mojtaba , Montazeri Leila , Baharvand Hossein
Published: February 2022

Correction for ‘A testis-derived macroporous 3D scaffold as a platform for the generation of mouse testicular organoids’ by Tohid Rezaei Topraggaleh et al., Biomater. Sci., 2019, 7, 1422–1436, DOI: 10.1039/C8BM01001C.
Fabrication of a hierarchical nanoreactor based on COFs for cascade enzyme catalysis
Authors: Yang Xiaolian , Tan Zheng , Sun Hanjun , Tong Yushi , Huang Xiaochun , Ren Junying , Wang Chen , Shen Weiyang
Published: February 2022

A hierarchical nanoreactor based on covalent organic frameworks was fabricated using polystyrene spheres as a template. When applied in cascade catalysis, the nanoreactor significantly improved the catalytic activity of internal enzymes.
Inducing a topological transition in graphene nanoribbon superlattices by external strain
Authors: Flores E. , Mella José D. , Aparicio E. , Gonzalez R. I. , Parra C. , Bringa E. M. , Munoz F.
Published: February 2022

Armchair graphene nanoribbons, when forming a superlattice, can be classified into different topological phases, with or without edge states.
Passive and active tracer dynamics in polymer solutions with isotropic-to-nematic phase transition
Authors: Chen Ying , Yan Ran , Zhao Nanrong
Published: February 2022

We perform a comparative study for passive and active tracer dynamics in solutions crowded by polymer chains with tunable stiffness. We reveal very novel transport behaviors due to the interplay between activity, crowding and stiffness.
Copper-complexed dipyridyl-pyridazine functionalized periodic mesoporous organosilica as a heterogeneous catalyst for styrene epoxidation
Authors: Navarro M. Ángeles , Amaro-Gahete Juan , Ruiz José R. , Jiménez-Sanchidrián César , Romero-Salguero Francisco J. , Esquivel Dolores
Published: February 2022

A novel copper organometallic complex anchored on periodic mesoporous organosilica was synthesized and used as a catalyst in styrene epoxidation.
Rhodium catalysts with superbulky NHC ligands for the selective α-hydrothiolation of alkynes
Authors: Bołt Małgorzata , Delaude Lionel , Żak Patrycja
Published: February 2022

Eight rhodium complexes—including four new compounds—with the generic formula [RhCl(cod)(NHC)] were prepared, characterized, and found to be catalytically active in the hydrothiolation of terminal alkynes with aliphatic or aromatic thiols.
Energy-resolved and time-dependent unimolecular dissociation of hydroperoxyalkyl radicals (˙QOOH)
Authors: Bhagde Trisha , Hansen Anne S. , Chen Shuguang , Walsh Patrick J. , Klippenstein Stephen J. , Lester Marsha I.
Published: February 2022

Unimolecular decay of infrared activated hydroperoxyalkyl radicals (˙QOOH) observed via time-resolved appearance of OH radical products.
An efficient and recyclable Cu@UiO-67-BPY catalyst for the selective oxidation of alcohols and the epoxidation of olefins
Authors: Li Rui , Li Xiujuan , Ramella Daniele , Zhao Yuzhen , Luan Yi
Published: February 2022

A novel CuCl2-UiO-67-BPY catalyst was synthesized for catalytic oxidation with up to 99% yield and 99% selectivity.
Naphthalene-tagged highly stable and reusable luminescent metal–organic probes for selective and fast detection of 4-nitroaniline in water
Authors: Chanda Alokananda , Mandal Sanjay K.
Published: February 2022

Four new Zn(ii) and Cd(ii) luminescent metal organic coordination frameworks with naphthalene tags have been synthesized, extensively characterized, and utilized for selective and fast sensing of 4-nitroaniline in water.
Platinum on carbon-catalysed site-selective H–D exchange reaction of allylic alcohols using alkyl amines as a hydrogen source
Authors: Park Kwihwan , Oka Naoki , Sawama Yoshinari , Ikawa Takashi , Yamada Tsuyoshi , Sajiki Hironao
Published: February 2022

The platinum on carbon catalysed site-selective H–D exchange reaction of allylic alcohols in the presence of amylamine as a hydrogen source and deuterium oxide as a deuterium source was developed.
Untapped potential of 2D charge density wave chalcogenides as negative supercapacitor electrode materials
Authors: elAttar Mahmoud M. , Allam Nageh K.
Published: February 2022

Charge density wave chalcogenides are efficient negative supercapacitor electrode materials with high quantum capacitance.
Boosting solar-thermal-electric conversion of thermoelectrochemical cells by construction of a carboxymethylcellulose-interpenetrated polyacrylamide network
Authors: Shen Jingjie , Ma Yanli , Yang Chenhui , Liu Shouxin , Li Jian , Chen Zhijun , Tian Bing , Li Shujun
Published: February 2022

A quasi-solid hydrogel-based thermoelectrochemical cell consisting of a carboxymethylcellulose-interpenetrated network, which can undergo solar-thermal-electric conversion, was achieved.
Electronic engineering of amorphous Fe–Co–S sites in hetero-nanoframes for oxygen evolution and flexible Al–air batteries
Authors: Lu Min , An Li , Yin Jie , Jin Jing , Yang Rui , Huang Bolong , Hu Yang , Zhao Yong-Qing , Xi Pinxian
Published: February 2022

The morphology advantage and modified electronic structure of amorphous FeCoSx-PBA hetero-nanoframes enhances the electron transfer and alleviates the overbinding effect of OH*, leading to the improved OER and Al–air battery performance.
Acid–base resistant ligand-modified molybdenum–sulfur clusters with enhanced photocatalytic activity towards hydrogen evolution
Authors: Zheng Hui-Li , Zhao Jian-Qiang , Zhang Jian , Lin Qipu
Published: February 2022

The first trimeric [MoIV3S7] cluster of MoS-MBTZ containing both S and N coordination sites, obtained by ligand-modification engineering, displays high acid–base stability and excellent photocatalytic activity towards H2evolution.
Carbon dot-boosted catalytic activity of CaO2 by tuning visible light conversion
Authors: Cai Tingting , Zheng Wenjing , Chang Qing , Li Ning , Yang Jinlong , Hu Shengliang
Published: February 2022

We present a novel method for tuning visible light conversion to facilitate the release and activation of in situ-generated H2O2 by virtue of the integration of CaO2 with biocompatible carbon dots (CaO2/CDs).
Green fabrication of high strength, transparent cellulose-based films with durable fluorescence and UV-blocking performance
Authors: Peng Fang , Liu Hongchen , Xiao Dongdong , Guo Lei , Yue Fengxia , Würfe Hendryk , Heinze Thomas , Qi Haisong
Published: February 2022

Fluorescent cellulose films with high strength, transparency and UV resistance were prepared. Such extraordinary properties allow application prospects in UV protection, anti-counterfeiting and remote LED devices.
A dynamic irradiation-responsive material for advanced anti-counterfeiting in dark and bright fields
Authors: Dong Wenbo , Wang Wenxiang , Wang Mingyu , Zhang Jiachi , Wang Yuhua
Published: February 2022

An interesting dynamic irradiation-responsive material CaZnGe2O6 : Pb2+ is developed, which shows unique dynamic photoluminescence/photochromism properties under irradiation and advanced anti-counterfeiting applications in dark and bright fields.
Gut microbiota-derived butyrate regulates gut mucus barrier repair by activating the macrophage/WNT/ERK signaling pathway
Authors: Liang Liping , Liu Le , Zhou Wanyan , Yang Chenghai , Mai Genghui , Li Haolin , Chen Ye
Published: February 2022

Ulcerative colitis (UC) is majorly associated with dysregulation of the dynamic cross-talk among microbial metabolites, intestinal epithelial cells, and macrophages. Several studies have reported the significant role of butyrate in host–microbiota communication. However, whether butyrate provides anti-inflammatory profiles in macrophages, thus contributing to UC intestinal mucus barrier protection, has currently remained elusive. In the current study, we found that butyrate increased mucin production and the proportion of mucin-secreting goblet cells in the colon crypt in a macrophage-dependent manner by using clodronate liposomes. Furthermore, in vivo and in vitro studies were conducted, validating that butyrate facilitates M2 macrophage polarization with the elevated expressions of CD206 and arginase-1 (Arg1). In macrophages/goblet-like LS174T cells co-culture systems, butyrate-primed M2 macrophages significantly enhanced the expression of mucin-2 (MUC2) and SPDEF (goblet cell marker genes) than butyrate alone, while blockade of WNTs secretion or ERK1/2 activation significantly decreased the beneficial effect of butyrate-primed macrophages on goblet cell function. Additionally, the adoptive transfer of butyrate-induced M2 macrophages facilitated the generation of goblet cells and mucus restoration following dextran sulfate sodium (DSS) insult. Taken together, our results revealed a novel mediator of macrophage–goblet cell cross-talk associated with the regulation of epithelial barrier integrity, implying that the microbial metabolite butyrate may serve as a candidate therapeutic target for UC.
Cluttering in the Speech of Young Men With Fragile X Syndrome
Authors: Bangert Katherine , Scott Kathleen Scaler , Adams Charley , Kisenwether Jessica S. , Giuffre Lisa , Reed Jenna , Thurman Angela John , Abbeduto Leonard , Klusek Jessica
Published: February 2022

Purpose:

Cluttering is a fluency disorder that has been noted clinically in individuals with fragile X syndrome (FXS). Yet, cluttering has not been systematically characterized in this population, hindering identification and intervention efforts. This study examined the rates of cluttering in male young adults with FXS using expert clinical opinion, the alignment between expert clinical opinion and objectively quantified features of cluttering from language transcripts, and the association between cluttering and aspects of the FXS phenotype.

Method:

Thirty-six men with FXS (aged 18–26 years;M= 22,SD= 2.35) contributed language samples and completed measures of nonverbal cognition, autism symptoms, anxiety, and symptoms of attention-deficit/hyperactivity disorder (ADHD). The presence of cluttering was determined by the consensus of two clinical experts in fluency disorders based on characteristics exhibited in the language sample. Cluttering features (speech rate, disfluencies, etc.) were also objectively quantified from the language transcripts.

Results:

Clinical experts determined that 50% of participants met the criteria for a cluttering diagnosis. Phrase repetitions were the most salient feature that distinguished individuals who cluttered. Although the presence of cluttering was not associated with autism symptoms or mean length of utterance, cluttering was more likely to occur when nonverbal cognitive ability was higher, ADHD symptoms were elevated, and anxiety symptoms were low.

Conclusions:

Half of the male young adults with FXS exhibited cluttering, which supports FXS as a genetic diagnosis that is highly enriched for risk of cluttering. Cluttering was associated with increased ADHD symptoms and cognitive ability and reduced anxiety symptoms. This study contributes a new description of the clinical presentation of cluttering in men with FXS and may lead to improved understanding of the potential underlying mechanisms of cluttering and eventual refinements to treatment and diagnosis.