bluuebunny/crossref_metadata_2025 huggingface dataset:
Three years of hourly data from 3021 smart heat meters installed in Danish residential buildings
Authors: Schaffer Markus , Tvedebrink Torben , Marszal-Pomianowska Anna
Published: July 2022

The now widespread use of smart heat meters for buildings connected to district heating networks generates data at an unknown extent and temporal resolution. This data encompasses information that enables new data-driven approaches in the building sector. Real-life data of sufficient size and quality are necessary to facilitate the development of such methods, as subsequent analyses typically require a complete equidistant dataset without missing or erroneous values. Thus, this work presents three years (2018-01-03 till 2020-12-31) of screened, interpolated, and imputed data from 3,021 commercial smart heat meters installed in Danish residential buildings. The screening aimed to detect data from not used meters, resolve issues caused by the data storage process and identify erroneous values. Linear interpolation was used to obtain equidistant data. After the screening, 0.3% of the data were missing, which were imputed using a weighted moving average based on a systematic comparison of nine different imputation methods. The original and processed data are published together with the code for data processing (https://doi.org/10.5281/zenodo.6563114).
Pollen derived macromolecules serve as a new class of ice-nucleating cryoprotectants
Authors: Murray Kathryn A. , Kinney Nina L. H. , Griffiths Christopher A. , Hasan Muhammad , Gibson Matthew I. , Whale Thomas F.
Published: July 2022

Cryopreservation of biological material is vital for existing and emerging biomedical and biotechnological research and related applications, but there remain significant challenges. Cryopreservation of cells in sub-milliliter volumes is difficult because they tend to deeply supercool, favoring lethal intracellular ice formation. Some tree pollens are known to produce polysaccharides capable of nucleating ice at warm sub-zero temperatures. Here we demonstrated that aqueous extractions from European hornbeam pollen (pollen washing water, PWW) increased ice nucleation temperatures in 96-well plates from ≈ − 13 °C to ≈ − 7 °C. Application of PWW to the cryopreservation of immortalized T-cells in 96-well plates resulted in an increase of post-thaw metabolic activity from 63.9% (95% CI [58.5 to 69.2%]) to 97.4% (95% CI [86.5 to 108.2%]) of unfrozen control. When applied to cryopreservation of immortalized lung carcinoma monolayers, PWW dramatically increased post-thaw metabolic activity, from 1.6% (95% CI [− 6.6 to 9.79%]) to 55.0% (95% CI [41.6 to 68.4%]). In contrast to other ice nucleating agents, PWW is soluble, sterile and has low cytotoxicity meaning it can be readily incorporated into existing cryopreservation procedures. As such, it can be regarded as a unique class of cryoprotectant which acts by inducing ice nucleation at warm temperatures.
Un-biased housekeeping gene panel selection for high-validity gene expression analysis
Authors: Casas Ana I. , Hassan Ahmed A. , Manz Quirin , Wiwie Christian , Kleikers Pamela , Egea Javier , López Manuela G. , List Markus , Baumbach Jan , Schmidt Harald H. H. W.
Published: July 2022

Differential gene expression normalised to a single housekeeping (HK) is used to identify disease mechanisms and therapeutic targets. HK gene selection is often arbitrary, potentially introducing systematic error and discordant results. Here we examine these risks in a disease model of brain hypoxia. We first identified the eight most frequently used HK genes through a systematic review. However, we observe that in both ex-vivo and in vivo, their expression levels varied considerably between conditions. When applying these genes to normalise expression levels of the validated stroke target gene, inducible Nox4, we obtained opposing results. As an alternative tool for unbiased HK gene selection, software tools exist but are limited to individual datasets lacking genome-wide search capability and user-friendly interfaces. We, therefore, developed the HouseKeepR algorithm to rapidly analyse multiple gene expression datasets in a disease-specific manner and rank HK gene candidates according to stability in an unbiased manner. Using a panel of de novo top-ranked HK genes for brain hypoxia, but not single genes, Nox4 induction was consistently reproduced. Thus, differential gene expression analysis is best normalised against a HK gene panel selected in an unbiased manner. HouseKeepR is the first user-friendly, bias-free, and broadly applicable tool to automatically propose suitable HK genes in a tissue- and disease-dependent manner.
A hackable, multi-functional, and modular extrusion 3D printer for soft materials
Authors: Lei Iek Man , Sheng Yaqi , Lei Chon Lok , Leow Cillian , Huang Yan Yan Shery
Published: July 2022

Three-dimensional (3D) printing has emerged as a powerful tool for material, food, and life science research and development, where the technology’s democratization necessitates the advancement of open-source platforms. Herein, we developed a hackable, multi-functional, and modular extrusion 3D printer for soft materials, nicknamed Printer.HM. Multi-printhead modules are established based on a robotic arm for heterogeneous construct creation, where ink printability can be tuned by accessories such as heating and UV modules. Software associated with Printer.HM were designed to accept geometry inputs including computer-aided design models, coordinates, equations, and pictures, to create prints of distinct characteristics. Printer.HM could further perform versatile operations, such as liquid dispensing, non-planar printing, and pick-and-place of meso-objects. By ‘mix-and-match’ software and hardware settings, Printer.HM demonstrated printing of pH-responsive soft actuators, plant-based functional hydrogels, and organ macro-anatomical models. Integrating affordability and open design, Printer.HM is envisaged to democratize 3D printing for soft, biological, and sustainable material architectures.
Relationship of lower limb geometrics with femorotibial osteoarthritis in the toei cohort
Authors: Tran Dung Huu , Hoshino Hironobu , Matsuyama Yukihiro
Published: July 2022

Osteoarthritis (OA) is a common disease of joints that is more common in females than in males. It is characterized by severe knee degeneration, damaged cartilage and appearance of osteophytes. Hip geometry and morphometric parameters in the knee joint vary between the sexes and depend on the severity of OA and the presence of osteophytes. Very few studies have assessed this phenomenon; therefore in this study, we assessed the difference in hip geometry and morphometric parameters in the lower limbs of males and females and evaluated the association of the differences with the presence or absence of osteophytes. Three hundred and six knees volunteers (104 male knees and 202 female knees) from the Toei region were included in the study between 2012 and 2018. The parameters measured were from the anteroposterior and lateral views of the hip and anteroposterior view of the knee. The participants were divided into 4 groups based on the assessment for osteophytes: Group 1 had no osteophytes, Group 2 had lateral compartment osteophytes, Group 3 had medial compartment osteophytes, and Group 4 had osteophytes in both compartments. Males had an increased femoral neck-shaft angle, femoral-tibial angle, and plateau angle, and a decreased femoral offset, femoral neck length, fibular-tibial angle, and knee rotation index than females. Group 2 had a greater height of the hip center, the angle between the femoral mechanical axis and the femoral shaft axis, condylar-hip angle, and plateau angle than Group 1. Group 3 showed an increased abductor angle, the angle between the femoral mechanical axis and the femoral shaft axis. Group 4 showed an increased angle between the femoral mechanical axis and the femoral shaft axis, femoral-tibial angle, and a decreased patellar shift index and knee rotation index. The angle between the femoral mechanical axis and the femoral shaft axis, condylar-hip angle, femoral-tibial angle, plateau angle, patellar shift index, and knee rotation index were different in both sexes and may be dependent on the presence or absence of osteophytes.
Eosinophilic esophagitis auxiliary diagnosis based on a peptide ligand to eosinophil cationic protein in esophageal mucus of pediatric patients
Authors: de Souza Tafarel Andrade , Carneiro Ana Paula , Narciso Andreia S. , Barros Cristina P. , Alves Douglas Alexsander , Marson Luciane B. , Tunala Tatiane , de Alcântara Tânia M. , de Paiva Maia Yara Cristina , Briza Peter , Ferreira Fatima , Goulart Luiz R.
Published: July 2022

Eosinophilic esophagitis (EoE) is a chronic inflammatory condition of the esophagus characterized by increased number of eosinophils. Currently, EoE diagnosis is based on endoscopic procedures for histopathological examination, eosinophils’ counting and, often, in clinical practice, the challenge is the differentiation between EoE and gastroesophageal reflux disease (GERD). Our aim was to develop novel peptide ligand to Eosinophil cationic protein (ECP) present in EoE biopsies of patients with potential to be used for detection. We performed a comparative proteomic analysis using liquid chromatography-tandem mass spectrometry (LC–MS/MS) of esophageal biopsies from pediatric patients with eosinophilic esophagitis, gastroesophageal reflux disease and control individuals. Then, phage display technology was used to select peptides against specific up-regulated protein from EoE patients. Twelve phage clones were selected after three biopanning rounds, and the best phage clone reactivity was evaluated by phage-ELISA assay using esophageal mucus samples from 94 pediatric patients. Mass spectrometry showed that eosinophil cationic protein (ECP) was one of the most up-regulated proteins in EoE patients, which is an eosinophil granule protein usually deposited on tissues to mediate remodeling, but in excess may cause fibrosis and hypertrophy, especially in allergic responses. A highly reactive ECP-ligand peptide (E5) was able to distinguish reactive mucus of EoE patients from GERD and the control individuals by Phage-ELISA, achieving a sensitivity of 84.62%, and a specificity of 82.72%. This is the first study that successfully demonstrated an antibody-like peptide targeting ECP at the esophagus mucus as a useful auxilliary tool for EoE diagnosis with a significant association with atopic disorders and dysphagia.

ClinicalTrials.gov no.: NCT03069573.
Machine learning approach towards explaining water quality dynamics in an urbanised river
Authors: Schäfer Benjamin , Beck Christian , Rhys Hefin , Soteriou Helena , Jennings Paul , Beechey Allen , Heppell Catherine M.
Published: July 2022

Human activities alter river water quality and quantity, with consequences for the ecosystems of urbanised rivers. Quantifying the role of human-induced drivers in controlling spatio-temporal patterns in water quality is critical to develop successful strategies for improving the ecological health of urban rivers. Here, we analyse high-frequency electrical conductivity and temperature data collected from the River Chess in South-East England during a Citizen Science project. Utilizing machine learning, we find that boosted trees outperform GAM and accurately describe water quality dynamics with less than 1% error. SHapley Additive exPlanations reveal the importance of and the (inter)dependencies between the individual variables, such as river level and Wastewater Treatment Works (WWTW) outflow. WWTW outflows give rise to diurnal variations in electrical conductivity, which are detectable throughout the year, and to an increase in average water temperature of 1 $$\rm{^o}C$$

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in a 2 km reach downstream of the wastewater treatment works during low flows. Overall, we showcase how high-frequency water quality measurements initiated by a Citizen Science project, together with machine learning techniques, can help untangle key drivers of water quality dynamics in an urbanised chalk stream.
Three and two-dimensional cardiac mechanics by speckle tracking are predictors of outcomes in chagas heart disease
Authors: Hotta Viviane Tiemi , Abduch Maria Cristina Donadio , Vieira Marcelo Luiz Campos , de Andrade Vilela Andrea , Bocchi Edimar Alcides
Published: July 2022

Chagas disease (CD) is a neglected infectious disease associated with early mortality and substantial disability. Three-dimensional speckle tracking (3D STE) may play a role in the evaluation of CD. We aim to characterize new echocardiographic variables in patients with CD and to assess the hypothesis that 3D STE may predict outcomes. Seventy-two patients with CD were included. Clinical and conventional 2D and 3D STE analysis were performed. Patients were followed up for 60 months. Clinical events were defined as hospitalization for heart failure, complex ventricular arrhythmias, heart transplant and all-cause death. Seventy-two patients were recruited and enrolled in three groups: left ventricular ejection fraction (LVEF) < 0.40 (N = 22; reduced LVEF or rLVEF); 0.40 ≤ LVEF ≤ 0.50 (N = 10; mildly reduced LVEF or mrLVEF) and LVEF > 0.50 (N = 30; preserved LVEF or pLVEF). After a Cox model analysis, the top predictors of composite endpoints were 2D LV global longitudinal strain (GLS) ≤ − 11.3% (AUC = 0.87), 2D LV global circumferential strain (GCS) ≤  − 10.1% (AUC = 0.79), 3D LV GLS ≤ − 13% (AUC = 0.82), 3D LV area strain ≤ − 16% (AUC = 0.81) and right ventricle (RV) GLS ≤ − 17.2% (AUC = 0.78). Patients with CD and mrLVEF were morphologically similar to the rLVEF patients despite the benign evolution as the pLVEF group. RV GLS, 2D LV GLS, 2D LV GCS, 3D LV GLS, and 3D LV area strain are strong predictors of 60 months outcomes in patients with CD.
Inhibition of cell invasion and migration by targeting matrix metalloproteinase-9 expression via sirtuin 6 silencing in human breast cancer cells
Authors: Hong On-Yu , Jang Hye-Yeon , Lee Young-Rae , Jung Sung Hoo , Youn Hyun Jo , Kim Jong-Suk
Published: July 2022

Sirtuin 6 (SIRT6) regulation is involved in carcinogenesis. However, its role in breast cancer (BC) metastasis remains unclear. We investigated the effects of SIRT6 on protein kinase C activator- and cytokine-mediated cancer cell invasion and migration in MCF-7 and MDA-MB-231 cells and the association between SIRT6 and matrix metalloproteinase-9 (MMP-9) expression. To assess MMP-9 and SIRT6 expression in patients, protein levels in BC tissues were analyzed. MCF-7 and MDA-MB-231 cell viability was analyzed using MTT assays. SIRT6 was silenced in both cell lines and protein secretion, expression, and mRNA levels were analyzed. Transcription factor DNA activity was investigated using luciferase assays. Matrigel invasion assays were used to assess the effects of SIRT6 in both cell lines. SIRT6 and MMP-9 expression in cancer tissues was significantly higher than in paired normal breast tissues. 12-O-tetradecanoylphorbol-13-acetate (TPA) or tumor necrosis factor-α (TNF-α) increased MMP-9 expression and cell invasion and migration, but SIRT6 knockdown abolished these effects. SIRT6 overexpression additively increased TPA- and TNF-α-induced MMP-9 expression. SIRT6 knockdown suppressed the mitogen-activated protein kinase (MAPK) signaling pathway and thus TPA- and TNF-α-induced MMP-9 expression. SIRT6 silencing suppressed TPA- and TNF-α-induced nuclear factor-κB (NF-κB) and activator protein-1 (AP-1) expressions in both cell lines, and treatment with MAPK, NF-κB, and AP-1 inhibitors reduced MMP-9 expression. The anti-invasive effects of SIRT6 in BC cells might be mediated by suppression of MAPK phosphorylation and reduction in NF-κB and AP-1 DNA activities, leading to MMP-9 downregulation, suggesting that SIRT6 modulation has the potential to target BC metastasis.
Low frequency visual stimulation enhances slow wave activity without disrupting the sleep pattern in mice
Authors: Thankachan Stephen , Yang Chun , Kastanenka Ksenia V. , Bacskai Brian J. , Gerashchenko Dmitry
Published: July 2022

Non-invasive stimulation technologies are emerging as potential treatment options for a range of neurodegenerative disorders. Experimental evidence suggests that stimuli-evoked changes in slow brain rhythms may mitigate or even prevent neuropathological and behavioral impairments. Slow wave activity is prevalent during sleep and can be triggered non-invasively by sensory stimulation targeting the visual system or directly via activation of neurons locally using optogenetics. Here, we developed new tools for delivering visual stimulation using light-emitting diodes in freely moving mice while awake and during sleep. We compared these tools to traditional optogenetic approaches used for local stimulation of neurons in the cerebral cortex. We then used these tools to compare the effects of low-frequency visual versus optogenetic stimulations on the slow wave activity and sleep pattern in mice. Visual stimulation effectively enhanced slow wave activity without disrupting the sleep pattern. Optogenetic stimulation of cortical GABAergic neurons increased NREM sleep. These results suggest that visual stimulation can be effective at boosting slow wave activity without having adverse effects on sleep and thus holds great potential as a non-invasive stimulation treatment strategy.
A genome-wide comparative evolutionary analysis of zinc finger-BED transcription factor genes in land plants
Authors: Hussain Athar , Liu Jinbao , Mohan Binoop , Burhan Akif , Nasim Zunaira , Bano Raveena , Ameen Ayesha , Zaynab Madiha , Mukhtar M. Shahid , Pajerowska-Mukhtar Karolina M.
Published: July 2022

Zinc finger (Zf)-BED proteins are a novel superfamily of transcription factors that controls numerous activities in plants including growth, development, and cellular responses to biotic and abiotic stresses. Despite their important roles in gene regulation, little is known about the specific functions of Zf-BEDs in land plants. The current study identified a total of 750 Zf-BED-encoding genes in 35 land plant species including mosses, bryophytes, lycophytes, gymnosperms, and angiosperms. The gene family size was somewhat proportional to genome size. All identified genes were categorized into 22 classes based on their specific domain architectures. Of these, class I (Zf-BED_DUF-domain_Dimer_Tnp_hAT) was the most common in the majority of the land plants. However, some classes were family-specific, while the others were species-specific, demonstrating diversity at different classification levels. In addition, several novel functional domains were also predicated including WRKY and nucleotide-binding site (NBS). Comparative genomics, transcriptomics, and proteomics provided insights into the evolutionary history, duplication, divergence, gene gain and loss, species relationship, expression profiling, and structural diversity of Zf-BEDs in land plants. The comprehensive study of Zf-BEDs inGossypiumsp., (cotton) also demonstrated a clear footprint of polyploidization. Overall, this comprehensive evolutionary study of Zf-BEDs in land plants highlighted significant diversity among plant species.
Exploration of two-dimensional molybdenum-borides and potential applications
Authors: Jin Junjie , Schwingenschlögl Udo
Published: July 2022

The recent discovery of MBenes has generated interest in two-dimensional metal-borides, which are expected to show rich electrochemical properties. Using evolutionary search combined with ab initio calculations, we discover that the MoBx (x = 1, 3, and 4) monolayers, two-dimensional metal-borides, are dynamically, mechanically, and thermally stable. Due to their metallic characters, we investigate the potential of application as anode materials of Li-ion batteries. The MoB and MoB3 monolayers are found to provide excellent properties, combining high Li-specific capacities of 670 and 418 mA h g−1 with low Li diffusion barriers of 0.10 and 0.13 eV, respectively.
Strategies for vascularized skin modelsin vitro
Authors: Gao Chuang , Lu Chunxiang , Qiao Hao , Zhang Yi , Liu Huazhen , Jian Zhian , Guo Zilong , Liu Yuanyuan
Published: July 2022

As the largest organ of the human body, the skin has a complex multi-layered structure.
tert-Butyl nitrite triggered radical cascade reaction for synthesizing isoxazoles by a one-pot multicomponent strategy
Authors: Chen Leijing , Wang Zhen , Liu Hui , Li Xinyue , Wang Bin
Published: July 2022

TBN/Na2S2O8-mediated radical cascade reaction of alkenes with aldehydes involving the formation of diverse new bonds in one-pot.
KOtBu-promoted Michael/aldol/ring-opening cascade reaction of cyclobutanones with chalcones
Authors: Wang Biao , Zhong Han , Tian Xu
Published: July 2022

A base system promotes the Michael/aldol/ring-opening cascade reaction of cyclobutanones with chalcones to access densely substituted cyclohex-3-ene-carboxylic acids.
Rare-earth-metal half-sandwich complexes incorporating methyl, methylidene, and hydrido ligands
Authors: Buschmann Dennis A. , Schumacher Lion , Anwander Reiner
Published: July 2022

[Cp*Ln(μ2-Me)2]3 slowly converts into Cp*3Y3(μ2-Me)3(μ3-CH2)(μ3-H)(thf)3 showing selective reactivity towards ketones and full consumption of all bridging ligands with methanol.
Catalytic and SERS activities of WO3-based nanowires: the effect of oxygen vacancies, silver nanoparticle doping, and the type of organic dye
Authors: Ustun Oguzhan , Yilmaz Asli , Yilmaz Mehmet
Published: July 2022

Oxygen vacancies in tungsten trioxide (WO3) nanostructures (WO3−x) dominate the major characteristics of the material and determine their activity in various applications including photocatalysis and surface-enhanced Raman spectroscopy (SERS).
Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides
Authors: Kumar Satish , Borish Kshetrimayum , Dey Sanjit , Nagesh Jayashree , Das Aloke
Published: July 2022

Sequence dependent folding motifs of Gly-Pro and Pro-Gly peptides have been explored using a combination of solution and gas phase spectroscopy and XRD.
Design and synthesis of piezochromic materials exploring intermolecular charge transfer: chalconoids bound to thep-sulfonatocalix[6]arene macrocycle
Authors: Patil Sanhita V. , Gejji Shridhar P. , Malkhede Dipalee D.
Published: July 2022

Solid-state systems composed of chalconoid encapsulated withinp-sulfonatocalix[6]arene (SCX6) scaffolds that exhibit mechanochromism and thermochromism have been developed.
A one-shot double-slice selection NMR method for biphasic systems
Authors: Catlin Kaitlyn Doolittle , Simmons Julia , Bai Shi
Published: July 2022

We propose a new and robust one-shot double-slice selection experiment to detect1H NMR signals as opposite-phased peaks representing the chemical species from the two phases of a biphasic system, respectively.
High electron mobility and wide-bandgap properties in a novel 1D PdGeS3 nanochain
Authors: Shen Huimin , Liu Siyuan , Qiao Yusen , Zhang Fumin , Yin Huabing , Ju Lin
Published: July 2022

We predicted an unexplored 1D PdGeS3 nanochain with high electron mobility and wide-bandgap properties. The estimated electron mobility is one to two orders of magnitude larger than those of most reported 1D nanowires.
Regulating the interaction of Ru nanoparticles and an Eu2O3support achieves enhanced activity for ammonia synthesis
Authors: Wang Jiemin , Liu Lin , Feng Ji , Zhang Xilun , Ju Xiaohua , Chen Ping
Published: July 2022

A Ru/Eu2O3catalyst with enhanced metal–support interaction is successfully prepared for highly efficient ammonia synthesis from nitrogen and hydrogen.
Introduction of tensile strain into titanium dioxide for increased solid acid catalytic activity
Authors: Takagaki Atsushi , Ozaki Taiga , Song Jun Tae , Niwa Eiki , Watanabe Motonori , Ishihara Tatsumi
Published: July 2022

Intentionally introducing tensile strain into TiO2 by using a spark plasma sintering process could stabilize reduced Ti species and improve the solid acid activity for acetalization.
The mechanochemical excitation of crystalline LiN3
Authors: Michalchuk Adam A. L.
Published: July 2022

Dynamic mechanical stress leads to rapid and transient vibrational excitation of crystalline solids, greatly altering their chemical reactivity.
Correction: Green sweet potato leaves increase Nrf2-mediated antioxidant activity and facilitate benzo[a]pyrene metabolism in the liver by increasing phase II detoxifying enzyme activities in rats
Authors: Yang Ray-Yu , Zongo Abel Wend-Soo , Chen Yu-Chen , Chiang Meng-Tsan , Zogona Daniel , Huang Chun-Yin , Yao Hsien-Tsung
Published: July 2022

Correction for ‘Green sweet potato leaves increase Nrf2-mediated antioxidant activity and facilitate benzo[a]pyrene metabolism in the liver by increasing phase II detoxifying enzyme activities in rats’ by Ray-Yu Yang et al., Food Funct., 2022, https://doi.org/10.1039/d2fo01049f.
1,2,3-Trimethoxypropane: a bio-sourced glyme as electrolyte for lithium–O2 batteries
Authors: Alvarez-Tirado Marta , Castro Laurent , Qian Shuai , Bara Jason E. , Di Gennaro Marco , Gkagkas Konstantinos , Guéguen Aurélie , Mecerreyes David
Published: July 2022

The ability of bio-based 1,2,3-TMP glyme to conduct Li+ ions has been demonstrated and compared to other toxic ether-based electrolytes. Furthermore, a high-performance UV-cured GPE has been evaluated to improve the overall safety of Li-O2 batteries.
Droplet microfluidics for functional temporal analysis and cell recovery on demand using microvalves: application in immunotherapies for cancer
Authors: Agnihotri Sagar N. , Ugolini Giovanni Stefano , Sullivan Matthew Ryan , Yang Yichao , De Ganzó Agustin , Lim Ji Won , Konry Tania
Published: July 2022

Unlike the common top-down approaches of single-cell analysis (investigating proteomics or genomics directly) which destroy the cell, this method preserves cell viability, allowing the same cell to be used for both genomics with functional assays.
Achieving circularly polarized luminescence and large piezoelectric response in hybrid rare-earth double perovskite by a chirality induction strategy
Authors: Wang Chang-Feng , Shi Chao , Zheng Anyi , Wu Yilei , Ye Le , Wang Na , Ye Heng-Yun , Ju Ming-Gang , Duan Pengfei , Wang Jinlan , Zhang Yi
Published: July 2022

A pair of 3D hybrid rare-earth double perovskites with large piezoelectric responses and CPL was constructed by introducing chirality. This study provides a strategy to prepare high-performance molecule-based piezoelectric and CPL materials.
Spatially-directed magnetic molecularly imprinted polymers with good anti-interference for simultaneous enrichment and detection of dual disease-related bio-indicators
Authors: Song Huijia , Wang Feng , Zhao Yayun , Gao Ruixia , He Yulian , Yan Qing , Chen Xiaoyi , Pfefferle Lisa D. , Xu Silong , Sheng Ying
Published: July 2022

As the changes of biomarkers directly reflect the occurrence of degenerative diseases, accurate detection of biomarkers is of great significance for disease diagnosis and control.
Merging photoinitiated bulk polymerization and the dopant-matrix design strategy for polymer-based organic afterglow materials
Authors: Chen Xiuzheng , Wang Guangming , Wu Minjian , Liu Jiahui , Liu Zhaohong , Wang Xuepu , Zou Yunlong , Zhang Kaka
Published: July 2022

The polymer produced by photoinitiated bulk polymerization promotes intersystem crossing of luminescent dopants and switches on room-temperature organic afterglow.
Thermal activation significantly improves the organic pollutant removal rate of low-grade manganese ore in a peroxymonosulfate system
Authors: Chen Yi , Yin Ping , Dong Shuai , Wei Shiyue , Gu Jinchuan , Cen Wanglai
Published: July 2022

Thermally activated natural low-grade manganese ore was used as an efficient and stable catalyst for enhancing the activation of PMS through increased charge transfer, pore size and acidic sites.
Colorimetric assay based on NiCo2S4@N,S-rGO nanozyme for sensitive detection of H2O2 and glucose in serum and urine samples
Authors: Ye Hanzhang , Ding Yongli , Liu Tingting , Li Jiani , Wang Qi , Li Yuhao , Gu Jingjing , Zhang Zhanen , Wang Xuedong
Published: July 2022

Schematic representation of the NiCo2S4@N,S-rGO as a peroxidase mimetic for H2O2 and cholesterol detection.
Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy
Authors: Tanioka Masaru , Ebihana Tsugumi , Uraguchi Manae , Shoji Haruka , Nakamura Yuka , Ueda Rina , Ogura Shota , Wakiya Yoshifumi , Obata Tohru , Ida Takahiro , Horigome Jun , Kamino Shinichiro
Published: July 2022

Drug quality and assurance changes with time under the influence of a variety of environmental factors, such as light, temperature, and moisture.
Design of discotic liquid crystal enabling complete switching along with memory of homeotropic and homogeneous alignment over a large area
Authors: Shoji Yoshiaki , Kobayashi Miki , Kosaka Atsuko , Haruki Rie , Kumai Reiji , Adachi Shin-ichi , Kajitani Takashi , Fukushima Takanori
Published: July 2022

A columnar liquid crystal consisting of a triphenylene hexacarboxylic ester mesogen and semifluoroalkyl side chains shows complete switching between homeotropic and homogeneous alignments, each of which remains persistent up to its melting point.
How to switch from a poor PEDOT:X oxygen evolution reaction (OER) to a good one. A study on dual redox reversible PEDOT:metallacarborane
Authors: Maria Xavier Jewel Ann , Fuentes Isabel , Nuez-Martínez Miquel , Kelemen Zsolt , Andrio Andreu , Viñas Clara , Compañ Vicente , Teixidor Francesc
Published: July 2022

Here, we dope an electroactive reversible redox polymer PEDOT with a reversible redox active metallacarborane having tunable potential to generate a synergistic material with superior properties such as a low overpotential to generate O2 from water.
A self-supported S-doped Fe-based organic framework platform enhances electrocatalysis toward highly efficient oxygen evolution in alkaline media
Authors: Ling Cong , Leng Xinyan , Lu Xiao-Jie , Li Jing-Han , Yang Zhengkun , Xu An-Wu
Published: July 2022

A novel S-doped Fe-based metal–organic framework grows on Ni foam, exhibiting a very low overpotential of 231 mV at a current density of 20 mA cm−2, as well as a small Tafel slope and long-term durability toward the OER in alkaline media.
Biofunctional peptide-click PEG-based hydrogels as 3D cell scaffolds for corneal epithelial regeneration
Authors: Lei Lei , Hu Yuhan , Shi Hui , Bao Zhishu , Wu Yiping , Jiang Jun , Li Xingyi
Published: July 2022

Poly(ethylene glycol) (PEG)-based hydrogels as highly promising 3D cell scaffolds have been widely implemented in tissue regeneration, yet the functionalized PEG hydrogel providing dynamic, cell-instructive microenvironments is difficult to obtain.
Plate-like CDots/EuBDC nanocomposite for ratiometric luminescence thermometry
Authors: da Silva Kleyton Ritomar Monteiro , Calado Claudia Manuela Santos , dos Santos Thatiane Veríssimo , Sales Tasso de Oliveira , Viana Rodrigo da Silva , Silva Uéslen Rocha , Ferreira Rute A. S. , Carlos Luís D. , Barbosa Cintya D. A. E. S.
Published: July 2022

The synthesis of dual-emission nanocomposite materials has emerged as an excellent strategy for designing new and advanced luminescent ratiometric thermometers.
A linear deep-blue bipolar fluorescent material with the CIEy < 0.065 serving as the emitter and host for high-performance monochromatic and hybrid white OLEDs
Authors: Peng Ling , Huo Yumiao , He Shuyao , Liu Yuchao , Ren Zhongjie , Ying Shian , Yan Shouke
Published: July 2022

A linear deep-blue HLCT material P2MPC served as the emitter and host in high-performance monochromatic and hybrid white OLEDs.
Host to regulate the T1–S1and T1–S0processes of guest excitons in doped systems to control the TADF and RTP emissions
Authors: Chen Kaijun , Jiang Yitian , Zhu Yibin , Lei Yunxiang , Dai Wenbo , Liu Miaochang , Cai Zhengxu , Wu Huayue , Huang Xiaobo , Dong Yuping
Published: July 2022

The doped materials have almost only RTP and TADF emissions, the hosts can tune the proportion of excitons in TADF and RTP, resulting in the afterglow colors gradually redshift from cyan to yellow-orange.
Anion–cation synergistic doping strategy on a Ga2O3 scaffold for improving electron extraction and transport in a CH3NH3PbCl3-based photodetector
Authors: Liu Shuo , Jiao Shujie , Lu Hongliang , Zhao Yue , Jin Yimin , Yang Song , Wang Dongbo , Gao Shiyong , Wang Jinzhong , Zhao Liancheng
Published: July 2022

The optimized electron transport layer by an anion–cation synergistic doping strategy has strikingly boosted the photoelectric performance of a polycrystalline CH3NH3PbCl3 device.
Phase transitions and optical properties of the trigonal perovskite (CH3NH3)2TeCl6
Authors: Liu Yuhan , Cockcroft Jeremy K. , Chen Zizhen , Hayward Michael A. , Henry Paul F. , Perry Robin S. , Palgrave Robert G.
Published: July 2022

Changes in the motion of the methylammonium cation and octahedral rotation are identified in MA2TeCl6 undergoing temperature-induced phase transitions.
Blood‐contaminated endoscopic image restoration based on residual VQ‐VAE with cascaded structure
Authors: Lin Jie , Pan Yulong , Dang Yuan , Bao Yige , Zhuo Hui
Published: July 2022

This research studies an image reconstruction technology that can help doctors observe endoscopic images obscured by blood in transurethral procedures. A new network structure is proposed, which applies encoder–decoder deep neural network to achieve the purpose of denoising and uses residual learning and cascade learning methods to relieve the problem of insufficient clarity and lack of detail in reconstruction image when restoring endoscopic images suffered from blood occlusion. The residual mechanism is used to estimate noise and compensate the images, instead of reconstructing overall image by an encoder and decoder deep network. It can potentially make the details of the image to be preserved and improve the resolution of the reconstructed image. This denoising model is embedded into a cascade network framework to further improve the quality of the restored image through the idea of repeated learning multiple times. On a customized endoscopic image sample set with real blood noise, for verifying the denoising ability, we designed two approaches of data augmentation to generate noised images obscured by different types and degree blood noises. In experiments, the new model has been compared to other approaches and the certain improved denoising effects can be observed.
H2O distribution in the disc of HD 100546 and HD 163296: the role of dust dynamics and planet–disc interaction
Authors: Pirovano L. M. , Fedele D. , van Dishoeck E. F. , Hogerheijde M. R. , Lodato G. , Bruderer S.
Published: July 2022

Water plays a fundamental role in the formation of planets and their atmospheres. Far-infrared observations with the Herschel Space Observatory revealed a surprisingly low abundance of cold-water reservoirs in protoplanetary discs. On the other hand, a handful of discs show emission of hot water transitions excited at temperatures above a few hundred Kelvin. In particular, the protoplanetary discs around the Herbig Ae stars HD 100546 and HD 163296 show opposite trends in terms of cold versus hot water emission: in the first case, the ground-state transitions are detected and the high-J lines are undetected, while the trend is opposite in HD 163296. As the different transitions arise from different regions of the disc, it is possible to address the overall distribution of water molecules throughout the disc. We performed a detailed spectral analysis using the thermo-chemical model DALI. We find that HD 163296 is characterised by a water-rich (abundance ≳10−5) hot inner disc (within the snow line) and a water-poor (<10−10) outer disc: the relative abundance of water molecules in the hot inner region may be due to the thermal desorption of icy grains that have migrated inward. Remarkably, the size of the H2O emitting region corresponds to a narrow dust gap visible in the millmeter continuum at r = 10 au observed with the Atacama Large Milµmetre Array (ALMA). This spatial coincidence may be due to pebble growth at the border of the snow line. The low-J lines detected in HD 100546 instead imply an abundance of a few 10−9 in the cold outer disc (>40 au). The emitting region of the cold H2O transitions is spatially coincident with that of the H2O ice previously seen in the near-infrared. Notably, milµmetre observations with ALMA reveal the presence of a large dust gap between nearly 40 and 150 au, likely opened by a massive embedded protoplanet. In both discs, we find that the warm molecular layer in the outer region (beyond the snow line) is highly depleted of water molecules, implying an oxygen-poor chemical composition of the gas. We speculate that gas-phase oxygen in the outer disc is readily depleted and its distribution in the disc is tightly coupled to the dynamics of the dust grains.
A Comparative Study of Urinary Complication Rates before and after the Incorporation of a Urethral Lengthening Technique during Masculinizing Genital Gender Affirmation Surgery
Authors: Gupta Richie , Gupta Rajat , Puri Anurag
Published: July 2022

Objectives Masculinizing genital gender affirmation surgery (MgGAS) consists of operative procedures designed to help the transition of transmen in their journey toward male gender role. Phalloplasty and urethral lengthening remain the most challenging of these surgeries, as the female urethra (4 cm long) must be lengthened to male dimensions (15–29 cm) with anastomosis at two sites, the native urethra/pars fixa urethra and the pars fixa urethra-penile urethra. As a result, there is a high incidence of urinary complications such as strictures and fistulae. Authors incorporated a urethral lengthening technique to reduce urinary complications in MgGAS. They compare the rates of urinary complications rates in cohorts before and after the introduction of this technique.

Materials and Methods Authors have been performing phalloplasty since past 27 years, utilizing mainly free radial artery forearm flap (fRAFFp 431 cases) and pedicled anterolateral thigh flap (pALTp 120 cases). A retrospective review and comparison of urinary complications were performed before and after the introduction of their new technique since March 2017.

Results There was a statistically significant reduction in the incidence of stricture with and without fistulae (25.94% with conventional and 4.17% with urethral lengthening technique p = 0.001) and fistulae alone (12.81% with conventional and 2.78% with urethral lengthening technique p = 0.011) in fRAFFp cases. In pALTp cases, the respective reductions were 43.08 to 17.07%, p = 0.006 (significant), and 13.85 to 4.88%, p = 0.197 (not statistically significant).

Conclusion Over years, the rates of urinary complications in MgGAS have remained constant, varying from 25 to 58% for strictures and 17 to 75% for fistulae as noted by many authors. Authors noted that in most of their cases, strictures occurred at distal pars fixa urethra (DPFU)-penile urethra anastomosis and incorporated a urethral lengthening technique, which lengthens the DPFU by 3 to 5 cm at this anastomotic site, thus significantly reducing the anastomotic tension and the rate of urinary complications.
Does Surgery for Concomitant Cruciate and Meniscus Injuries Increase or Decrease Subsequent Comorbidities at 2 Years?
Authors: Cook Chad E. , Zhou Liang , Bolognesi Michael , Sheean Andrew J. , Barlow Brian T. , Rhon Daniel I.
Published: July 2022

Concomitant cruciate and meniscus injuries of the knee are generally associated with acute trauma and commonly treated with surgical intervention. Comorbidities (simultaneous presence of two or more medical conditions) may be acquired from changes in activity levels and lifestyle after an injury and/or treatment. This study aimed to compare differences in comorbidity proportions between surgical and nonsurgical approaches in Military Health System beneficiaries who had concurrent cruciate and meniscus injuries. The retrospective case control design included 36-month data that were analyzed to reflect 12 months prior to injury/surgery and 24 months after injury/surgery. A comparison of differences within and between groups in surgical and nonsurgical approaches was calculated and logistic regression was used to determine if surgery increased or decreased the odds of comorbidities at 24 months. In our sample of 2,438 individuals with concurrent meniscus and cruciate injury, 79.1% (n = 1,927) received surgical intervention and 20.9% (n = 511) elected for nonoperative management. All comorbidities demonstrated significant within-group differences from pre- to postsurgery for those with a surgical intervention; approximately, half the comorbidities increased (i.e., concussion or traumatic brain injury, insomnia, other sleep disorders, anxiety, posttraumatic stress disorder, and tobacco abuse disorder), whereas the other half decreased (i.e., chronic pain, apnea, cardiovascular disease, metabolic syndrome, mental health other, depression, and substance abuse disorders). The odds of acquiring a comorbid diagnosis after surgery reflected the bivariate comparisons with half increasing and half decreasing in odds. To our knowledge, this is the first study to explore comorbidity changes with a control group for individuals with concurrent meniscus and cruciate injuries.
Contemporary Treatment of Pulmonary Embolism: Medical Treatment and Management
Authors: Moreland Stephen , Mukherjee Debabrata , Nickel Nils P.
Published: July 2022

Pulmonary embolus (PE) is defined as obstruction of the pulmonary artery or one of its branches by material (e.g., thrombus, tumor, air, or fat) but most commonly due to thrombus originating from the lower extremity deep veins.

We reviewed the current literature describing the optimal medical treatment and management of PE.

Databases (PubMed, the Cochrane Library, Embase, EBSCO, Web of Science, and CINAHL) were searched for relevant studies and guidelines for management of patients with PE.

The initial approach to patients with suspected PE should focus upon stabilizing the patient while further workup for risk stratification is in progress. In most cases, anticoagulation should ideally be started even prior to confirming PE, if risk–benefit regarding suspicion of PE and bleeding risk is favorable.

Once the diagnosis is confirmed, risk stratification will guide further therapies consisting of anticoagulation, thrombolysis, or catheter-directed interventions. Data for initial, long-term, and indefinite anticoagulation, and factors that determine whether or not a patient can be treated in the outpatient setting, are reviewed and discussed.
Explicit models of motions to analyze NMR relaxation data in proteins
Authors: Bolik-Coulon Nicolas , Ferrage Fabien
Published: July 2022

Nuclear Magnetic Resonance (NMR) is a tool of choice to characterize molecular motions. In biological macromolecules, pico- to nanosecond motions, in particular, can be probed by nuclear spin relaxation rates, which depend on the time fluctuations of the orientations of spin interaction frames. For the past 40 years, relaxation rates have been successfully analyzed using the Model-Free (MF) approach, which makes no assumption on the nature of motions and reports on the effective amplitude and timescale of the motions. However, obtaining a mechanistic picture of motions from this type of analysis is difficult at best, unless complemented with molecular dynamics (MD) simulations. In spite of their limited accuracy, such simulations can be used to obtain the information necessary to build explicit models of motions designed to analyze NMR relaxation data. Here, we present how to build such models, suited in particular to describe motions of methyl-bearing protein side chains and compare them with the MF approach. We show on synthetic data that explicit models of motions are more robust in the presence of rotamer jumps which dominate the relaxation in methyl groups of protein side chains. We expect this work to motivate the use of explicit models of motion to analyze MD and NMR data.
Electrical and structural properties of binary Ga–Sb phase change memory alloys
Authors: Ume Rubab , Gong Haibo , Tokranov Vadim , Yakimov Michael , Brew Kevin , Cohen Guy , Lavoie Christian , Schujman Sandra , Liu Jing , Frenkel Anatoly I. , Beckmann Karsten , Cady Nathaniel , Oktyabrsky Serge
Published: July 2022

Material properties of Ga–Sb binary alloy thin films deposited under ultra-high vacuum conditions were studied for analog phase change memory (PCM) applications. Crystallization of this alloy was shown to occur in the temperature range of 180–264 °C, with activation energy >2.5 eV depending on the composition. X-ray diffraction (XRD) studies showed phase separation upon crystallization into two phases, Ga-doped A7 antimony and cubic zinc-blende GaSb. Synchrotron in situ XRD analysis revealed that crystallization into the A7 phase is accompanied by Ga out-diffusion from the grains. X-ray absorption fine structure studies of the local structure of these alloys demonstrated a bond length decrease with a stable coordination number of 4 upon amorphous-to-crystalline phase transformation. Mushroom cell structures built with Ga–Sb alloys on ø110 nm TiN heater show a phase change material resistance switching behavior with resistance ratio >100 under electrical pulse measurements. TEM and Energy Dispersive Spectroscopy (EDS) studies of the Ga–Sb cells after ∼100 switching cycles revealed that partial SET or intermediate resistance states are attained by the variation of the grain size of the material as well as the Ga content in the A7 phase. A mechanism for a reversible composition control is proposed for analog cell performance. These results indicate that Te-free Ga–Sb binary alloys are potential candidates for analog PCM applications.
Local strain-dependent Zeeman splitting in GaN:Eu
Authors: Okuno Tomohiro , Onoda Ryota , Toyoshima Lisa , Miyata Kasumi , Sekiguchi Hiroto , Wakahara Akihiro , Nakaoka Toshihiro
Published: July 2022

The electronic spins of rare-earth materials are attractive candidates for spin qubits and quantum memories. To access individual spins, tuning of the g-factor is desirable. Here, we report on local strain-dependent g-factors of the 5D0–7F2 transitions of Eu3+ centers in GaN:Eu thin films. We have found a clear correlation between the effective g-factor and the emission energy shift induced by the local strain. The combination of micro-photoluminescence and scanning electron microscope/electron backscattering diffraction measurements has revealed that the compressive strain of 0.2%–0.4%, relative to a surrounding reference point, induces an energy shift of about 3 meV. The strain decreases the g-factor of the emission at 1.991 eV from 2.5 to 1.5, while the strain increases the g-factor of the emission at 1.994 eV from 1.1 to 1.7. The result suggests that the g-factor can be tuned by the local strain. On the basis of the strain-induced energy shift and the g-factor, we have identified the optical sites. The 5D0–7F2 transitions observed in this study consist of three optical sites with C3v symmetry and one site with C1h symmetry.