bluuebunny/crossref_metadata_2025 huggingface dataset:
Urine and vaginal microbiota compositions of postmenopausal and premenopausal women differ regardless of recurrent urinary tract infection and renal transplant status
Authors: Hugenholtz Floor , van der Veer Charlotte , Terpstra Matty L. , Borgdorff Hanneke , van Houdt Robin , Bruisten Sylvia , Geerlings Suzanne E. , van de Wijgert Janneke H. H. M.
Published: February 2022

Postmenopausal women and renal transplant recipients are at increased risk of recurrent urinary tract infections (RUTI). Urine and vaginal microbiota of premenopausal controls (N = 18) and RUTI cases (18), and of postmenopausal controls (30) and RUTI cases (20) with and without a renal transplant, were characterized using 16S rRNA sequencing. Participants did not have UTI symptoms at the time of sampling. Gram-negative uropathobionts (predominantly Escherichia/Shigella, Pseudomonas, Klebsiella, and Acinetobacter) had a much higher mean relative abundance in urine than vaginal samples, especially in premenopausal women. No statistically significant differences in mean relative abundances of bacterial groups were found within the premenopausal group or within the postmenopausal group by RUTI or renal transplant status without chronic antibiotic use. Comparing postmenopausal to premenopausal women, mean relative abundances of lactobacilli (especially L. crispatus) in urine and vaginal samples and of Gram-negative uropathobionts in urine were lower, and of BV-anaerobes and Gram-positive uropathobionts in urine and vaginal samples were higher. While RUTI in premenopausal women is predominantly caused by Escherichia, the causative organisms in postmenopausal women are likely more diverse. The relative importance of individual organisms is currently unknown. We recommend that future studies, including intervention studies, include longitudinal microbiota assessments.
Machine learning classification of schizophrenia patients and healthy controls using diverse neuroanatomical markers and Ensemble methods
Authors: Chilla Geetha Soujanya , Yeow Ling Yun , Chew Qian Hui , Sim Kang , Prakash K. N. Bhanu
Published: February 2022

Schizophrenia is a major psychiatric disorder that imposes enormous clinical burden on patients and their caregivers. Determining classification biomarkers can complement clinical measures and improve understanding of the neural basis underlying schizophrenia. Using neuroanatomical features, several machine learning based investigations have attempted to classify schizophrenia from healthy controls but the range of neuroanatomical measures employed have been limited in range to date. In this study, we sought to classify schizophrenia and healthy control cohorts using a diverse set of neuroanatomical measures (cortical and subcortical volumes, cortical areas and thickness, cortical mean curvature) and adopted Ensemble methods for better performance. Additionally, we correlated such neuroanatomical features with Quality of Life (QoL) assessment scores within the schizophrenia cohort. With Ensemble methods and diverse neuroanatomical measures, we achieved classification accuracies ranging from 83 to 87%, sensitivities and specificities varying between 90–98% and 65–70% respectively. In addition to lower QoL scores within schizophrenia cohort, significant correlations were found between specific neuroanatomical measures and psychological health, social relationship subscale domains of QoL. Our results suggest the utility of inclusion of subcortical and cortical measures and Ensemble methods to achieve better classification performance and their potential impact of parsing out neurobiological correlates of quality of life in schizophrenia.
Fractal, diffraction-encoded space-division multiplexing for FSO with misalignment-robust, roaming transceivers
Authors: Weng Xiaojing , Vuong Luat T.
Published: February 2022

For free space optical (FSO) communication, a small misalignment of the transceivers may result in link failure or severe performance degradation. It can be difficult to track the narrow optical beams over long distances. Here, we propose “diffractal space-division multiplexing” (DSDM), an FSO transmission system capable of supporting misaligned roaming transceivers. This system enables spatial multiplexing for enhanced data capacity with partial off-axis beam reception. We numerically simulate and analyze the performance of the DSDM system with a particular focus on the divergence angle, roaming area, kernel bit-error-rate (K-BER), and fractal order. Our simulation results achieve K-BERs of 10$$^{-3}$$-3with$$81\times 81$$81×81-pixel fractal beams at link distances of 2.5 km when the receiver sizes are 30$$\%$$%of the effective beam diameter.
A replication study, systematic review and meta-analysis of automated image-based diagnosis in parkinsonism
Authors: Papathoma Paraskevi-Evita , Markaki Ioanna , Tang Chris , Lilja Lindström Magnus , Savitcheva Irina , Eidelberg David , Svenningsson Per
Published: February 2022

Differential diagnosis of parkinsonism early upon symptom onset is often challenging for clinicians and stressful for patients. Several neuroimaging methods have been previously evaluated; however specific routines remain to be established. The aim of this study was to systematically assess the diagnostic accuracy of a previously developed 18F-fluorodeoxyglucose positron emission tomography (FDG-PET) based automated algorithm in the diagnosis of parkinsonian syndromes, including unpublished data from a prospective cohort. A series of 35 patients prospectively recruited in a movement disorder clinic in Stockholm were assessed, followed by systematic literature review and meta-analysis. In our cohort, automated image-based classification method showed excellent sensitivity and specificity for Parkinson Disease (PD) vs. atypical parkinsonian syndromes (APS), in line with the results of the meta-analysis (pooled sensitivity and specificity 0.84; 95% CI 0.79–0.88 and 0.96; 95% CI 0.91 –0.98, respectively). In conclusion, FDG-PET automated analysis has an excellent potential to distinguish between PD and APS early in the disease course and may be a valuable tool in clinical routine as well as in research applications.
An early prediction model for chronic kidney disease
Authors: Zhao Jing , Zhang Yuan , Qiu Jiali , Zhang Xiaodan , Wei Fengjiang , Feng Jiayi , Chen Chen , Zhang Kai , Feng Shuzhi , Li Wei-Dong
Published: February 2022

Based on the high incidence of chronic kidney disease (CKD) in recent years, a better early prediction model for identifying high-risk individuals before end-stage renal failure (ESRD) occurs is needed. We conducted a nested case–control study in 348 subjects (116 cases and 232 controls) from the “Tianjin Medical University Chronic Diseases Cohort”. All subjects did not have CKD at baseline, and they were followed up for 5 years until August 2018. Using multivariate Cox regression analysis, we found five nongenetic risk factors associated with CKD risks. Logistic regression was performed to select single nucleotide polymorphisms (SNPs) from which we obtained from GWAS analysis of the UK Biobank and other databases. We used a logistic regression model and natural logarithm OR value weighting to establish CKD genetic/nongenetic risk prediction models. In addition, the final comprehensive prediction model is the arithmetic sum of the two optimal models. The AUC of the prediction model reached 0.894, while the sensitivity was 0.827, and the specificity was 0.801. We found that age, diabetes, and normal high values of urea nitrogen, TGF-β, and ADMA were independent risk factors for CKD. A comprehensive prediction model was also established, which may help identify individuals who are most likely to develop CKD early.
Comparison of chemical compounds and their influence on the taste of coffee depending on green beans storage conditions
Authors: Zarebska Magdalena , Stanek Natalia , Barabosz Krzysztof , Jaszkiewicz Anna , Kulesza Renata , Matejuk Rafał , Andrzejewski Dariusz , Biłos Łukasz , Porada Artur
Published: February 2022

Currently, there is no technology for the storage of green coffee (GrC), that results in obtaining high-quality roasted coffee (RC). The aim of this study was to evaluate the effects of storage temperature (− 10, 5, 10, 18, 20 °C), postharvest treatment method (natural (N), washed (W)) and type of packaging material (GrainPro (G), jute (J) bags) on the content of chlorogenic acids (CQAs), caffeine and trigonelline as well as the sensory profile of RC from the specialty sector after 12 months of regulated storage. Sensory analysis showed that natural coffees have better taste and higher quality than washed coffees after 12 months of storage. The highest total scores were obtained from the natural coffee stored in a GrainPro bag at − 10 °C followed by coffee stored in a jute bag at 10 °C which had the smallest decreases compared to the initial recorded values. No notable differences among CQA contents in washed coffees stored in either type of bag was seen but natural coffees stored in jute bags at 10 °C and 18 °C displayed the lowest drops relative to the initial values.
Wafer scale manufacturing of high precision micro-optical components through X-ray lithography yielding 1800 Gray Levels in a fingertip sized chip
Authors: Kalaiselvi S. M. P. , Tang E. X. , Moser H. O. , Breese M. B. H. , Turaga S. P. , Kasi H. , Heussler S. P.
Published: February 2022

We present a novel x-ray lithography based micromanufacturing methodology that offers scalable manufacturing of high precision optical components. It is accomplished through simultaneous usage of multiple stencil masks made moveable with respect to one another through custom made micromotion stages. The range of spectral flux reaching the sample surface at the LiMiNT micro/nanomanufacturing facility of Singapore Synchrotron Light Source (SSLS) is about 2 keV to 10 keV, offering substantial photon energy to carry out deep x-ray lithography. In this energy range, x-rays penetrate through resist materials with only little scattering. The highly collimated rectangular beam architecture of the x-ray source enables a full 4″ wafer scale fabrication. Precise control of dose deposited offers determined chain scission in the polymer to required depth enabling 1800 discrete gray levels in a chip of area 20 mm2 and with more than 2000 within our reach. Due to its parallel processing capability, our methodology serves as a promising candidate to fabricate micro/nano components of optical quality on a large scale to cater for industrial requirements. Usage of these fine components in analytical devices such as spectrometers and multispectral imagers transforms their architecture and shrinks their size to pocket dimension. It also reduces their complexity and increases affordability while also expanding their application areas. Consequently, equipment based on these devices is made available and affordable for consumers and businesses expanding the horizon of analytical applications. Mass manufacturing is especially vital when these devices are to be sold in large quantities especially as components for original equipment manufacturers (OEM), which has also been demonstrated through our work. Furthermore, we also substantially improve the quality of the micro-components fabricated, 3D architecture generated, throughput, capability and availability for industrial application. Manufacturing 1800 Gray levels or more through other competing techniques is either limited due to multiple process steps involved or due to unacceptably long time required owing to their pencil beam architecture. Our manufacturing technique presented here overcomes both these shortcomings in terms of the maximum number of gray levels that can be generated, and the time required to generate the same.
Simple methods for quantifying super-resolved cortical actin
Authors: Garlick Evelyn , Faulkner Emma L. , Briddon Stephen J. , Thomas Steven G.
Published: February 2022

Cortical actin plays a key role in cell movement and division, but has also been implicated in the organisation of cell surface receptors such as G protein-coupled receptors. The actin mesh proximal to the inner membrane forms small fenced regions, or ‘corrals’, in which receptors can be constrained. Quantification of the actin mesh at the nanoscale has largely been attempted in single molecule datasets and electron micrographs. This work describes the development and validation of workflows for analysis of super resolved fixed cortical actin images obtained by Super Resolved Radial Fluctuations (SRRF), Structured Illumination Microscopy (3D-SIM) and Expansion Microscopy (ExM). SRRF analysis was used to show a significant increase in corral area when treating cells with the actin disrupting agent cytochalasin D (increase of 0.31 µm2 ± 0.04 SEM), and ExM analysis allowed for the quantitation of actin filament densities. Thus, this work allows complex actin networks to be quantified from super-resolved images and is amenable to both fixed and live cell imaging.
Prepregnancy body mass index and gestational weight gain are associated with maternal and infant adverse outcomes in Chinese women with gestational diabetes
Authors: Zheng Qing-Xiang , Wang Hai-Wei , Jiang Xiu-Min , Lin Yan , Liu Gui-Hua , Pan Mian , Ge Li , Chen Xiao-Qian , Wu Jing-Ling , Zhang Xiao-Yun , Pan Yu-Qing , He Hong-Gu
Published: February 2022

The gestational weight gain (GWG) range of Chinese women with gestational diabetes mellitus (GDM) remains unclear. Our objective was to identify the ranges of GWG in Chinese women with GDM and to investigate the associations between prepregnancy body mass index (BMI), GWG and maternal-infant adverse outcomes. Cases of GDM women who delivered singletons from 2013 to 2018 in a public hospital were collected. Logistic regression analysis was used to assess the joint effects of prepregnancy BMI and GWG on maternal-infant adverse outcomes. Ultimately, 14,578 women were collected. The ranges of GWG in Chinese women with GDM were different from the National Academy of Medicine’s (NAM) recommendation. The ranges of GWG of Chinese women with GDM in the underweight, normal weight, overweight and obese groups were 5.95–21.95 kg, 4.23–21.83 kg, 0.88–21.12 kg and − 1.76 to 19.95 kg, respectively. The risks of large for gestational age (LGA), macrosomia and caesarean delivery were significantly increased with the increasing prepregnancy BMI. Furthermore, the risks of LGA, macrosomia and caesarean delivery were significantly higher in the normal weight group with a GWG higher than the NAM recommendation. Similarly, in the overweight group with a GWG higher than the NAM recommendation, the risks of LGA were significantly higher, while the risks of macrosomia were significantly lower. Overall, we determined the range of GWG in different prepregnancy BMI groups. And GDM women with high prepregnancy BMI and excessive GWG were associated with the higher risks of maternal-infants adverse outcomes in China.
Kikuchi–Fujimoto disease in the Eastern Mediterranean zone
Authors: Al Manasra Abdel Rahman , Al-Domaidat Hamzeh , Aideh Mohd Asim , Al Qaoud Doaa , Al Shalakhti Majd , Al khatib Sohaib , Fataftah Jehad , Al-Taher Raed , Nofal Mohammad
Published: February 2022

Kikuchi–Fujimoto disease (KFD) is a rare benign and self-limiting syndrome. We aim to review cases of KFD at our institution as a rare illness in the Arab ethnic descent and to analyse reports from most countries in the East Mediterranean zone. This is a retrospective study in which the histopathology database was searched for the diagnosis of KFD. A full review of KFD patients’ medical records was done. Data regarding demographic features, clinical presentation, laboratory findings, comorbidities, and management protocols were obtained. Published KFD cases from east Mediterranean countries were discussed and compared to other parts of the world. Out of 1968 lymph node biopsies studied, 11 (0.6%) cases of KFD were identified. The mean age of patients with KFD was 32 years (4–59). 73% (8/11) were females. The disease was self-limiting in 5 patients (45%); corticosteroid therapy was needed in 4 patients (34%). One patient was treated with methotrexate and one with antibiotics. One patient died as a consequence of lymphoma. Jordanians and Mediterranean populations, especially those of Arab ethnic background, seem to have low rates of KFD. The genetic susceptibility theory may help to explain the significantly higher disease prevalence among East Asians. Early diagnosis of KFD—although challenging—is essential to reduce the morbidity related to this illness.
Machine learning approach for study on subway passenger flow
Authors: Park Yujin , Choi Yoonhee , Kim Kyongwon , Yoo Jae Keun
Published: February 2022

We investigate regional features nearby the subway station using the clustering method called the funFEM and propose a two-step procedure to predict a subway passenger transport flow by incorporating the geographical information from the cluster analysis to functional time series prediction. A massive smart card transaction dataset is used to analyze the daily number of passengers for each station in Seoul Metro. First, we cluster the stations into six categories with respect to their patterns of passenger transport. Then, we forecast the daily number of passengers with respect to each cluster. By comparing our predicted results with the actual number of passengers, we demonstrate the predicted number of passengers based on the clustering results is more accurate in contrast to the result without considering the regional properties. The result from our data-driven approach can be applied to improve the subway service plan and relieve infectious diseases as we can reduce the congestion by controlling train intervals based on the passenger flow. Furthermore, the prediction result can be utilized to plan a ‘smart city’ which seeks shorter commuting time, comfortable ridership, and environmental sustainability.
Comparative transcriptome and weighted correlation network analyses reveal candidate genes involved in chlorogenic acid biosynthesis in sweet potato
Authors: Xu Jing , Zhu Jiahong , Lin Yanhui , Zhu Honglin , Tang Liqiong , Wang Xinhua , Wang Xiaoning
Published: February 2022

Chlorogenic acids (CGAs) are important secondary metabolites produced in sweet potato. However, the mechanisms of their biosynthesis and regulation remain unclear. To identify potential genes involved in CGA biosynthesis, analysis of the dynamic changes in CGA components and RNA sequencing were performed on young leaves (YL), mature leaves (ML), young stems (YS), mature stems (MS) and storage roots (SR). Accordingly, we found that the accumulation of six CGA components varied among the different tissues and developmental stages, with YS and YL recording the highest levels, while SR exhibited low levels. Moreover, the transcriptome analysis yielded 59,287 unigenes, 3,767 of which were related to secondary-metabolite pathways. The differentially expressed genes (DEGs) were identified based on CGA content levels by comparing the different samples, including ML vs. YL, MS vs. YS, SR vs. YL and SR vs. YS. A total of 501 common DEGs were identified, and these were mainly implicated in the secondary metabolites biosynthesis. Additionally, eight co-expressed gene modules were identified following weighted gene co-expression network analysis, while genes in darkgrey module were highly associated with CGA accumulation. Darkgrey module analysis revealed that 12 unigenes encoding crucial enzymes (PAL, 4CL, C4H, C3H and HCT/HQT) and 42 unigenes encoding transcription factors (MYB, bHLH, WD40, WRKY, ERF, MADS, GARS, bZIP and zinc finger protein) had similar expression patterns with change trends of CGAs, suggesting their potential roles in CGA metabolism. Our findings provide new insights into the biosynthesis and regulatory mechanisms of CGA pathway, and will inform future efforts to build a genetically improve sweet potato through the breeding of high CGA content varieties.
Retinal layer assessments as potential biomarkers for brain atrophy in the Rhineland Study
Authors: Mauschitz Matthias M. , Lohner Valerie , Koch Alexandra , Stöcker Tony , Reuter Martin , Holz Frank G. , Finger Robert P. , Breteler Monique M. B.
Published: February 2022

Retinal assessments have been discussed as biomarkers for brain atrophy. However, available studies did not investigate all retinal layers due to older technology, reported inconsistent results, or were based on small sample sizes. We included 2872 eligible participants of the Rhineland Study with data on spectral domain–optical coherence tomography (SD–OCT) and brain magnetic resonance imaging (MRI). We used multiple linear regression to examine relationships between retinal measurements and volumetric brain measures as well as fractional anisotropy (FA) as measure of microstructural integrity of white matter (WM) for different brain regions. Mean (SD) age was 53.8 ± 13.2 years (range 30–94) and 57% were women. Volumes of the inner retina were associated with total brain and grey matter (GM) volume, and even stronger with WM volume and FA. In contrast, the outer retina was mainly associated with GM volume, while both, inner and outer retina, were associated with hippocampus volume. While we extend previously reported associations between the inner retina and brain measures, we found additional associations of the outer retina with parts of the brain. This indicates that easily accessible retinal SD-OCT assessments may serve as biomarkers for clinical monitoring of neurodegenerative diseases and merit further research.
High-performance inorganic metal halide perovskite transistors
Authors: Liu Ao , Zhu Huihui , Bai Sai , Reo Youjin , Zou Taoyu , Kim Myung-Gil , Noh Yong-Young
Published: February 2022

The p-type characteristic of solution-processed metal halide perovskite transistors means that they could be used in combination with their n-type counterparts, such as indium–gallium–zinc-oxide transistors, to create complementary metal–oxide–semiconductor-like circuits. However, the performance and stability of perovskite-based transistors do not yet match their n-type counterparts, which limit their broader application. Here we report high-performance p-channel perovskite thin-film transistors based on inorganic caesium tin triiodide semiconducting layers that have moderate hole concentrations and high Hall mobilities. The perovskite channels are formed by engineering the film composition and crystallization process using a tin-fluoride-modified caesium-iodide-rich precursor with lead substitution. The optimized transistors exhibit field-effect hole mobilities of over 50 cm2 V−1 s−1 and on/off current ratios exceeding 108, as well as high operational stability and reproducibility.
Ret kinase-mediated mechanical induction of colon stem cells by tumor growth pressure stimulates cancer progression in vivo
Authors: Nguyen Ho-Bouldoires Thanh Huong , Sollier Kévin , Zamfirov Laura , Broders-Bondon Florence , Mitrossilis Démosthène , Bermeo Sebastian , Guerin Coralie L. , Chipont Anna , Champenois Gabriel , Leclère Renaud , André Nicolas , Ranno Laurent , Michel Aude , Ménager Christine , Meseure Didier , Demené Charlie , Tanter Mickael , Fernández-Sánchez Maria Elena , Farge Emmanuel
Published: February 2022

How mechanical stress actively impacts the physiology and pathophysiology of cells and tissues is little investigated in vivo. The colon is constantly submitted to multi-frequency spontaneous pulsatile mechanical waves, which highest frequency functions, of 2 s period, remain poorly understood. Here we find in vivo that high frequency pulsatile mechanical stresses maintain the physiological level of mice colon stem cells (SC) through the mechanosensitive Ret kinase. When permanently stimulated by a magnetic mimicking-tumor growth analogue pressure, we find that SC levels pathologically increase and undergo mechanically induced hyperproliferation and tumorigenic transformation. To mimic the high frequency pulsatile mechanical waves, we used a generator of pulsed magnetic force stimulation in colonic tissues pre-magnetized with ultra-magnetic liposomes. We observed the pulsatile stresses using last generation ultra-wave dynamical high-resolution imaging. Finally, we find that the specific pharmacological inhibition of Ret mechanical activation induces the regression of spontaneous formation of SC, of CSC markers, and of spontaneous sporadic tumorigenesis in Apc mutated mice colons. Consistently, in human colon cancer tissues, Ret activation in epithelial cells increases with tumor grade, and partially decreases in leaking invasive carcinoma. High frequency pulsatile physiological mechanical stresses thus constitute a new niche that Ret-dependently fuels mice colon physiological SC level. This process is pathologically over-activated in the presence of permanent pressure due to the growth of tumors initiated by pre-existing genetic alteration, leading to mechanotransductive self-enhanced tumor progression in vivo, and repressed by pharmacological inhibition of Ret.
Glia fuel neurons with locally synthesized ketone bodies to sustain memory under starvation
Authors: Silva Bryon , Mantha Olivier L. , Schor Johann , Pascual Alberto , Plaçais Pierre-Yves , Pavlowsky Alice , Preat Thomas
Published: February 2022

During starvation, mammalian brains can adapt their metabolism, switching from glucose to alternative peripheral fuel sources. In the Drosophila starved brain, memory formation is subject to adaptative plasticity, but whether this adaptive plasticity relies on metabolic adaptation remains unclear. Here we show that during starvation, neurons of the fly olfactory memory centre import and use ketone bodies (KBs) as an energy substrate to sustain aversive memory formation. We identify local providers within the brain, the cortex glia, that use their own lipid store to synthesize KBs before exporting them to neurons via monocarboxylate transporters. Finally, we show that the master energy sensor AMP-activated protein kinase regulates both lipid mobilization and KB export in cortex glia. Our data provide a general schema of the metabolic interactions within the brain to support memory when glucose is scarce.
Improved prediction of the vertical distribution of ground ice in Arctic-Antarctic permafrost sediments
Authors: Lacelle Denis , Fisher David A. , Verret Marjolaine , Pollard Wayne
Published: February 2022

Global warming and permafrost degradation are impacting landscapes, ecosystems and the climate-carbon system. Current ground ice and geohazard maps rely on the frost susceptibility of surficial sediments, and substantial areas underestimate ice abundance. Here we use a soil environmental model to show the importance of considering unfrozen water content (dependent on sediment type, soil water chemistry, and temperature) when assessing the frost susceptibility of sediments. Our ensemble modeling of the vertical structure and evolution of ground ice for fine to coarse-grained sediments matches reasonably well with field measurements at sites from the low Arctic to the cold and hyper-arid Dry Valleys of Antarctica. Our modeling indicates a need to re-evaluate how frost-susceptible sediments are identified when mapping ice-rich permafrost landscapes and provides a framework for the development of quantitative estimates of the vertical distribution of ground ice in permafrost sediments at regional scale.
Enhanced skin penetration of berberine from proniosome gel attenuates pain and inflammation in a mouse model of osteoarthritis
Authors: Lee Choon Keong , Zhang Shipin , Venkatesan Gopalakrishnan , Irsan  , Chong Suet Yen , Wang Jiong-Wei , Goh Wei Jiang , Panczyk Tomasz , Tay Yi Zhen , Hu Jun , Ng Wai Kiong , Wacker Matthias G. , Toh Wei Seong , Pastorin Giorgia
Published: February 2022

A combination of non-ionic surfactants enhanced the released of berberine in proniosome gel and effectively reduce pain and inflammation in a mouse model of osteoarthritis.
Access to the Syn diastereomers of cryptophane cages using HFIP
Authors: Della-Negra Oriane , Cirillo Yoann , Brotin Thierry , Dutasta Jean-Pierre , Saaidi Pierre-Loic , Chatelet Bastien , Martinez Alexandre
Published: February 2022

The use of the HFIP/bisulfate salt combination provides convenient and fast access to syn-cryptophanes.
DNA origami nanocalipers for pH sensing at the nanoscale
Authors: Zhang Xinyue , Pan Li , Guo Ruiyan , Zhang Yueyue , Li Fan , Li Min , Li Jiang , Shi Jiye , Qu Fengli , Zuo Xiaolei , Mao Xiuhai
Published: February 2022

We report a shape-resolved nanomechanical device based on a DNA origami nanocaliper for pH sensing at the nanoscale.
Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation
Authors: Kundu Gargi , Ajithkumar V. S. , Raj K. Vipin , Vanka Kumar , Tothadi Srinu , Sen Sakya S.
Published: February 2022

6-SIDipp·BH3 (1) was reacted with I2 to give corresponding iodoboranes (2 & 3), which underwent nucleophilic substitution reactions to furnish OTf and ONO2 substituted boranes (4–7). Treatment of Br2/H2O with 1 led to a dihydroxyborenium cation (8).
Propensity rules for photoelectron circular dichroism in strong field ionization of chiral molecules
Authors: Ordonez Andres F. , Smirnova Olga
Published: February 2022

A chiral initial state state is the sum of two counter-propagating chiral electron currents. Intense circularly polarized light selects the counter-rotating electrons and projects their asymptotic perpendicular velocity on the continuum to yield PECD.
Simulation of Auger decay dynamics in the hard X-ray regime: HCl as a showcase
Authors: Goldsztejn G. , Guillemin R. , Marchenko T. , Travnikova O. , Céolin D. , Journel L. , Simon M. , Piancastelli M. N. , Püttner R.
Published: February 2022

2-D core-electron spectroscopy: resolving excitation and relaxation pathways.
Ozone uptake by commercial brake pads and brake pad components: assessing the potential indirect air quality impacts of non-exhaust emissions
Authors: Matchett Laura C. , Abou-Ghanem Maya , Stix Kristyna A. R. , McGrath Devon T. , Styler Sarah A.
Published: February 2022

We determine, for the first time, the reactivity of ground brake pads with ozone and discuss the potential impact of this interaction on urban air quality.
Electrocatalytic alcohol oxidation by a molecular iron complex
Authors: Kuiry Himangshu , Das Debasree , Das Soumadip , Chakraborty Soham , Chandra Bittu , Gupta Sayam Sen
Published: February 2022

An efficient electrochemical method for the selective oxidation of alcohols to their corresponding aldehydes/ketones using a biomimetic iron complex, [(bTAML)FeIII–OH2]−, as the redox mediator in an undivided electrochemical cell with inexpensive carbon and nickel electrodes using water as an oxygen source is reported.
Memory enhancement effect of saponins from Eleutherococcus senticosus leaves and blood–brain barrier-permeated saponins profiling using a pseudotargeted monitoring strategy
Authors: Huang Yu-Hong , Ding Wen-Luan , Li Xi-Tao , Cai Meng-Ting , Li Hui-Lin , Yang Zhi-You , Piao Xiu-Hong , Zhu Shu , Tohda Chihiro , Komatsu Katsuko , Wang Shu-Mei , Ge Yue-Wei
Published: February 2022

Dried Eleutherococcus senticosus leaves (ESL), also known as Siberian ginseng tea, are beneficial for human neural disorders.
Chemically recyclable polymer materials: polymerization and depolymerization cycles
Authors: Xu Guangqiang , Wang Qinggang
Published: February 2022

In this review, we aim to summarize strategies for achieving the polymerization–depolymerization cycle to access chemically recyclable polymers and highlight the current studies in this rapidly growing and promising area.
Fluorescent Schiff base sensors as a versatile tool for metal ion detection: strategies, mechanistic insights, and applications
Authors: Goshisht Manoj Kumar , Patra Goutam Kumar , Tripathi Neetu
Published: February 2022

This review discusses the advances in fluorescent Schiff base sensors for metal ion detection with a focus on the strategies, mechanistic insights, and applications.
Polarization-perceptual anisotropic two-dimensional ReS2 neuro-transistor with reconfigurable neuromorphic vision
Authors: Xie Dingdong , Yin Kai , Yang Zhong-Jian , Huang Han , Li Xiaohui , Shu Zhiwen , Duan Huigao , He Jun , Jiang Jie
Published: February 2022

A novel polarization-perceptual neuro-transistor with reconfigurable neuromorphic vision is proposed based on a 2D ReS2 phototransistor. Polarized navigation with reconfigurable learning ability and 3D visual polarization imaging are experimentally demonstrated for the first time.
Site-specific recognition of SARS-CoV-2 nsp1 protein with a tailored titanium dioxide nanoparticle – elucidation of the complex structure using NMR data and theoretical calculation
Authors: Agback Peter , Agback Tatiana , Dominguez Francisco , Frolova Elena I. , Seisenbaeva Gulaim A. , Kessler Vadim G.
Published: February 2022

Titanium dioxide nanoparticles can be tailored to interact specifically with SARS-CoV-2 nsp1 protein, forming, according to NMR studies, a stable complex, which structure was elucidated based on a molecular modeling approach.
Moderate molecular recognitions on ZnO m-plane and their selective capture/release of bio-related phosphoric acids
Authors: Kanao Eisuke , Nakano Katsuya , Kamei Ryoma , Hosomi Takuro , Ishihama Yasushi , Adachi Jun , Kubo Takuya , Otsuka Koji , Yanagida Takeshi
Published: February 2022

We reported molecular recognition on ZnO nanowires grown in a capillary via liquid chromatography and demonstrated the separation of nucleotides.
A unified kinetic Monte Carlo approach to evaluate (a)symmetric block and gradient copolymers with linear and branched chains illustrated for poly(2-oxazoline)s
Authors: Conka Robert , Marien Yoshi W. , Sedlacek Ondrej , Hoogenboom Richard , Van Steenberge Paul H. M. , D'hooge Dagmar R.
Published: February 2022

Kinetic modeling is used to verify if PAOx synthesis routes can deliver ideal products such as (a)symmetric (block-)gradients and block copolymers. It is shown that a variation in chain length and topology affects the overall compositional deviation.
Steady/transient state spectral researches on the solvent-triggered and photo-induced novel properties of metal-coordinated phthalocyanines
Authors: Cao Hongyu , Gong Meina , Wang Mengyan , Tang Qian , Wang Lihao , Zheng Xuefang
Published: February 2022

The large conjugated system and the d orbitals of metallic phthalocyanines (MPcs) are easily triggered by solvent molecules and light to cause variations in photo-physical and photo-chemical properties.
Flumequine-loaded titanate nanotubes as antibacterial agents for aquaculture farms
Authors: Baati Tarek , Ben Brahim Mounir , Salek Abir , Selmi Mouna , Njim Leila , Umek Polona , Aouane Aicha , Hammami Mohamed , Hosni Karim
Published: February 2022

Flumequine (FLUM), a quinolone-derived antibiotic is one of the most prescribed drugs in aquaculture farms.
Quantification of phenol-formaldehyde curing resin in unvulcanized rubber blend using Py-GC/MS supplemented by TG-IR analysis
Authors: Ďurišová Silvia , Ondrušová Darina , Pajtášová Mariana , Brescher Roman , Šulcová Jana
Published: February 2022

The curing bladder is the main element when producing a car tire.
Biomechanical fracture mechanics of composite layered skin-like materials
Authors: Maiorana Christopher H. , Jotawar Rajeshwari A. , German Guy K.
Published: February 2022

This study of composite membrane puncture explains how the structure of mammalian skin may have adapted or evolved to exhibit a thin stiff layer on top of a thicker more compliant layer. A new type of ‘coring’ membrane failure is also revealed.
Design of a flexible surface/interlayer for packaging
Authors: Zhan Fei , Gao Weina , Zhao Feng , Qin Peng , Sun Xinlong , Sun Chenkun , Tang Shousheng , Wang Lei
Published: February 2022

A flexible multi-level topography and hollow interlayer not only reduce the maximum stress and maximum strain on the surface of the structure (a–e), but also enhance the thermal isolation performance (f).
Emergence of two-level systems in glass formers: a kinetic Monte Carlo study
Authors: Gao Xin-Yuan , Deng Hai-Yao , Lee Chun-Shing , You J. Q. , Lam Chi-Hang
Published: February 2022

By applying a distinguishable-particle lattice model previously demonstrated to exhibit glassy relaxation dynamics, we observe the emergence of two-level systems at very low temperature leading to a specific heat proportional to the temperature.
Facile construction of olefin-linked covalent organic frameworks for enhanced photocatalytic organic transformation via wall surface engineering
Authors: Cai Kairui , Wang Wenjing , Zhang Jie , Chen Lei , Wang Lianke , Zhu Xiaojiao , Yu Zhipeng , Wu Zhichao , Zhou Hongping
Published: February 2022

We present a facile strategy to regulate the absorption range, band gap, charge transfer efficiency and photocatalytic activity of olefin-linked 2D COFs via wall surface engineering.
Anomalous electrochemical capacitance in Mott-insulator titanium sesquioxide
Authors: Kumar Sumana , Nandi Sukanta , Mishra Vikash , Shukla Alok , Misra Abha
Published: February 2022

Space charge distribution of charge carriers within pristine semiconducting Ti2O3 near the electrode/electrolyte interface contributing to an anomalous rise in electrochemical capacitance.
Inverted perovskite/silicon V-shaped tandem solar cells with 27.6% efficiency via self-assembled monolayer-modified nickel oxide layer
Authors: Zheng Likai , Xuan Yimin , Wang Jilei , Bao Shaojuan , Liu Xianglei , Zhang Kai
Published: February 2022

A V-shaped tandem solar cell with efficiency of 27.6% is achieved through elaborate design of photon matching and management as well as an efficient inverted perovskite cell with a self-assembled monolayer-modified NiOx hole transport layer.
Cellulose: a fascinating biopolymer for hydrogel synthesis
Authors: Bhaladhare Sachin , Das Dipankar
Published: February 2022

Cellulose is the most abundant natural biopolymer and is considered an unlimited source of raw materials to develop sustainable, non-toxic, and environmentally friendly products that are in ever-increasing demand for various applications.
Improved efficiency of inverted planar perovskite solar cells with an ultrahigh work function doped polymer as an alternative hole transport layer
Authors: Al-Dainy Gailan A. , Alsudani Zeid N. , Hashoosh Ahmed , Watanabe Fumiya , Biris Alexandru S. , Bourdo Shawn E.
Published: February 2022

Fluoropolymer-doped S-P3MEET films showed better transmittance and work function alignment at the perovskite/HTL interface leading to higher power conversion efficiency.
Assessment of Cs2HfCl6 crystal applicability as low-temperature scintillating bolometers by their thermodynamic characteristics
Authors: Dumoulin L. , Giuliani A. , Kandel R. , Khalife H. , Kuznetsov S. V. , Nagorny S. S. , Nahorna V. V. , Nishchev K. N. , Nones C. , Olivieri E. , Poda D. V. , Popov P. A. , Pynenkov A. A. , Stenning G. , Wang P. , Zolotarova A. S.
Published: February 2022

Measurements of thermodynamics characteristics such as heat conductivity and specific heat, along with calculations of the phonon mean free path allowing to rapidly characterize the performance of new scintillating material as a scintillating bolometer in time-cost-man power effective manner in comparison to cryogenic measurements in a dilution refrigerator.
Recent advances in DNA-encoded dynamic libraries
Authors: Shi Bingbing , Zhou Yu , Li Xiaoyu
Published: February 2022

A brief review on the recent development of DNA-encoded dynamic libraries (DEDLs) is provided, highlighting their distinct features from traditional dynamic chemical libraries and static DNA-encoded libraries.
Quantum transport of short-gate MOSFETs based on monolayer MoSi2N4
Authors: Ye Bingjie , Jiang Xuecheng , Gu Yan , Yang Guofeng , Liu Yushen , Zhao Huiqin , Yang Xifeng , Wei Chunlei , Zhang Xiumei , Lu Naiyan
Published: February 2022

The high carrier mobility, appropriate band gap and good environmental stability of two-dimensional (2D) MoSi2N4 enable it to be an appropriate channel material for transistors with excellent performance.
Organometallic 3d transition metal NHC complexes in oxidation catalysis
Authors: Zámbó Greta G. , Schlagintweit Jonas F. , Reich Robert M. , Kühn Fritz E.
Published: February 2022

This review summarises the advantages towards the catalytic oxidation of the most important substrates with 3d transition metal NHC complexes. Additionally the activation of molecular oxygen by 3d transition metal NHC complexes is described.
Probing the dynamics of the photo-induced decarboxylation of neutral and ionic pyruvic acid
Authors: Jarraya M. , Bellili A. , Barreau L. , Cubaynes D. , Garcia G. A. , Poisson L. , Hochlaf M.
Published: February 2022

Combined advanced ab initio treatments and experiments reveal that the pyruvic acid cation decomposes to mostly form HOCO, in contrast to the photodynamics of electronically excited pyruvic acid being dominated by decarboxylation.
Master equation modelling of non-equilibrium chemistry in stellar outflows
Authors: Plane John M. C. , Robertson Struan H.
Published: February 2022

We show that, in the very low pressure regime of a stellar outflow, molecules can exhibit significant vibrational disequilibrium because optical transitions occur on a faster timescale than collisions; this profoundly affects their reaction kinetics.
Introducing neat fullerenes to improve the thermal stability of slot-die coated organic solar cells
Authors: Kirk Bradley , Pan Xun , Jevric Martyn , Andersson Gunther , Andersson Mats R.
Published: February 2022

Improved the thermal stability of PPDT2FBT:PC61BM organic solar cells fabricated via slot-die coating. This was achieved with the addition of neat fullerene C70 to reduce the burn-in degradation associated with crystal growth of PCBM.
Ambient electrochemical N2-to-NH3 conversion catalyzed by TiO2 decorated juncus effusus-derived carbon microtubes
Authors: Chen Haijun , Liang Jie , Dong Kai , Yue Luchao , Li Tingshuai , Luo Yongsong , Feng Zhesheng , Li Na , Hamdy Mohamed S. , Alshehri Abdulmohsen Ali , Wang Yan , Sun Xuping , Liu Qian
Published: February 2022

TiO2 decorated juncus effusus-derived carbon microtubes (TiO2/JE-CMTs) are highly active and stably for electrochemical N2 reduction to NH3, capable of attaining a large NH3 yield of 20.03 μg h−1 mg−1cat. with a high faradaic efficiency of 10.76%.
Construction of sulfonated spiro[5,5]trienones from sulfur dioxide via iron-catalyzed dearomative spirocyclization of biaryls
Authors: He Fu-Sheng , Su Lingjing , Yu Feiyan , Tang Zhimei , Wu Jie
Published: February 2022

An iron-catalyzed dearomative spirocyclization of biaryl ynones with sodium metabisulfite and cycloketone oxime esters is developed for the construction of sulfonated spiro[5,5]trienones.
Expression of concern: Preparation of Y-doped ZrO2 coatings on MnO2 electrodes and their effect on electrochemical performance for MnO2 electrochemical supercapacitors
Authors: Fisher Laura
Published: February 2022

Expression of concern for ‘Preparation of Y-doped ZrO2 coatings on MnO2 electrodes and their effect on electrochemical performance for MnO2 electrochemical supercapacitors’ by Yuqing Zhang et al., RSC Adv., 2016, 6, 1750–1759, DOI: 10.1039/C5RA20543C.
A Sn doped, strained CuAg film for electrochemical CO2 reduction
Authors: Du Xiaoye , Qin Yanyang , Gao Bo , Jang Jun Ho , Xiao Chunhui , Li Yanhuai , Ding Shujiang , Song Zhongxiao , Su Yaqiong , Nam Ki Tae
Published: February 2022

The selectivity of electrochemical reduction of CO2 to CO can be effectively improved by doping Sn into a CuAg film.
A triphenylacrylonitrile phenanthroimidazole cored butterfly shaped AIE chromophore for blue and HLCT sensitized fluorescent OLEDs
Authors: Jayabharathi Jayaraman , Thilagavathy Shanmugam , Thanikachalam Venugopal , Anudeebhana Jagathratchagan
Published: February 2022

The non-doped blue device with TPATPA-CNPPI shows luminance of 15 892 cd m−2, CE of 19.58 cd A−1, PE of 17.84 lm W−1, EQE of 8.96%, EUE of 73.40% and small roll-off efficiency (RO) of 1.11%.
Analysis of crystal-field effect on luminescence spectra of Mn4+ (3d3) ion-doped double perovskite La2ZnTiO6 phosphor by semiempirical computations: exchange charge model and superposition model
Authors: Biswas A. , Sarkar S. , Jana Y. M. , Swarnakar D. , Nandi S. , Rudowicz C. , Açıkgöz M. , Avram N. M.
Published: February 2022

Herein, a systematic microscopic investigation of the crystal-field (CF) effects on Mn4+ ions doped at triclinic sites in the double perovskite La2ZnTiO6 crystal was performed using two independent modelling approaches based on CF theory: the exchange charge model and the superposition model.
Speech Changes After Transcranial Direct Current Stimulation in Individuals Diagnosed With Parkinson's Disease
Authors: Leydon Ciara , Brooks Kaitlin , Feng Guanchao , Hsu David T. , Schwartz Guy , Fabus Renee
Published: February 2022

Purpose:

Parkinson's disease (PD) is a progressive neurological disease that results in motor and cognitive impairments, including impaired speech production. Transcranial direct current stimulation (tDCS) is a noninvasive brain stimulation technique that shows promise in improving limb motor skills and executive function in individuals with PD. The aim of this study was to examine the impact of tDCS on speech production in individuals diagnosed with PD.

Method:

Six males, aged 65–78 years, with a diagnosis of PD, participated in a double-blinded controlled crossover study to assess the immediate effects of tDCS to the premotor cortex on speech production. Auditory–perceptual (Consensus Auditory–Perceptual Evaluation—Voice) and acoustic voice outcomes (e.g., fundamental frequency, intensity, noise-to-harmonic ratio [NHR], and speech rate) were gathered pre- and post-anodal simulation and sham conditions. Measures were compared across times and conditions.

Results:

Speech rate was below normative levels for all participants prior to tDCS. Speech rate increased significantly in conversation following stimulation but not sham conditions and exceeded normative values for two participants. NHR increased following stimulation. No significant difference in other perturbation measures, perceptual ratings, fundamental frequency, or intensity were noted.

Conclusions:

All participants completed the protocol without discomfort. The observed increase in speech rate needs to be interpreted in the context of excitation resulting from neurostimulation using tDCS.
Multifunctional fluorine‐free superhydrophobic coating with flame‐retardant, anti‐icing, anti‐corrosion, and oil–water separation properties
Authors: Li Shuyi , Xie Chuankun , Zhang Wenliang , Wei Dongsong , Zheng Zaihang , Liu Yan
Published: February 2022

A fluorine‐free and multifunctional superhydrophobic coating (r‐MSC) was prepared by the one‐step spraying method. The coating had superhydrophobic and low‐adhesion properties with the water contact angle of 161.5° ± 1° and the sliding angle of 3.2° ± 0.5°. It could be prepared by spraying while maintaining superhydrophobic surface characteristics on any substrates. The coating owed outstanding mechanical durability and chemical stability. Moreover, the coating also possessed the ability of self‐cleaning, anti‐fouling, anti‐icing, and flame retardant ability. Importantly, the presence of multifunctional coating endowed the substrate with both water‐resistant and fireproof properties. Besides, it also showed excellent oil‐water separation ability, which presented the oil‐water separation efficiency of over 90% for different types of oils after 10 separation cycles. Furthermore, the coating could improve corrosion inhibition performance and the corrosion current density was reduced by two orders of magnitude from the polarization curve. The r‐MSC had the advantages of simple preparation, fluorine‐free, environmentally friendly and appropriate for large‐area fabrication, which could be applied to various fields.