bluuebunny/crossref_metadata_2025 huggingface dataset:
Supragingival microbiome alternations as a consequence of smoking different tobacco types and its relation to dental caries
Authors: Al-Marzooq Farah , Al Kawas Sausan , Rahman Betul , Shearston Jenni A. , Saad Hiba , Benzina Dalenda , Weitzman Michael
Published: February 2022

This study aimed to assess the effect of smoking different tobacco types on the supragingival microbiome and its relation to dental caries. Forty supragingival plaque samples were collected from smokers of a single tobacco type and non-smokers seeking treatment at the University Dental Hospital Sharjah, UAE. DMFT (decayed, missing and filled teeth) was determined for all participants who were divided into two groups: no-low caries (NC-LC: DMFT = 0–4; n = 18) and moderate-high caries (MC-HC: DMFT = 5–20; n = 22). 16S rRNA gene was sequenced using third-generation sequencing with Nanopore technology. Microbiome composition and diversity were compared. Caries was most common among cigarette smokers. Supragingival microbiota were significantly altered among smokers of different tobacco types. In cigarette smokers, cariogenic bacteria from genus Streptococcus (including S. mutans) were significantly more among subjects with NC-LC, while Lactobacilli (including L. fermentum) were more among subjects with MC-HC. In medwakh smokers, several periodontopathogens were significantly elevated in subjects with NC-LC, while other pathogenic bacteria (as Klebsiella pneumoniae) were more in those with MC-HC. Cigarette and alternative tobacco smoking had a significant impact on the supragingival microbiome. Indeed, further studies are required to unravel the consequences of oral dysbiosis triggered by smoking. This could pave the way for microbiota-based interventional measures for restoring a healthy oral microbiome which could be a promising strategy to prevent dental caries.
Van der Pol model in two-delay differential equation representation
Authors: Elfouly M. A. , Sohaly M. A.
Published: February 2022

The Van der Pol equation is the mathematical model of a second-order ordinary differential equation with cubic nonlinearity. Several studies have been adding time delay to the Van der Pol model. In this paper, the differential equation of the Van der Pol model and the RLC (resistor–inductor–capacitor) circuit are deduced as a delay differential equation. The Van der Pol delay model contains two delays, which allows the re-use of its applications in the suggested equation. The Taylor series was used to deduce ordinary differential equations from the delay differential equations in the case of small delays. Also, the model for Parkinson's disease modification is described as the Van der Pol model. A numerical simulation of the delay differential equations has been done to show the different cases that the delay differential equations can express using the MATLAB program.
Drivers of migrant passerine composition at stopover islands in the western Mediterranean
Authors: López-Iborra Germán M. , Bañuls Antonio , Castany Joan , Escandell Raül , Sallent Ángel , Suárez Manuel
Published: February 2022

Clues used by migrant birds to select sites for stopover are much less known than their reasons for leaving. Habitat characteristics and geographical location may affect the decision to use an island as a stopover site in different ways for different species. Thus, abundance and composition of migrants may be expected to differ between islands. Using standardized ringing from 9 western Mediterranean islands we evaluate drivers of abundance of trans-Saharan migrant passerines, specifically the role of species continental abundance, island characteristics and geographical location. Although continental abundance is a main driver of migrant composition on all islands migrant composition differs between them. Redundancy analysis and species response models revealed that the main drivers were distance to the nearest land toward the south, which has a positive effect on the number of migrants of most species, and island area, which appears as an important cue used for selecting a stopover island. Species whose abundance is positively related to island area have more pointed wings while species affected by distance to land toward the south have relatively more rounded wings. This suggests a hypothesis on the mechanism that may generate differences in passerine migrant composition between islands based on better efficiency of more pointed wings for long-distance flight.
The seismicity of Campi Flegrei in the contest of an evolving long term unrest
Authors: Tramelli Anna , Giudicepietro Flora , Ricciolino Patrizia , Chiodini Giovanni
Published: February 2022

One of the most effective approaches to identifying possible precursors of eruptions is the analysis of seismicity patterns recorded at volcanoes. Accurate locations of the seismicity and the estimate of source mechanisms can resolve fault systems and track fluid migrations through volcanoes. We analysed the six main swarms recorded at Campi Flegrei since 2000, using them as a proxy of the processes involved in the long-term-unrest of this densely populated caldera. We re-located the earthquakes comprised in these swarms and estimated the focal mechanisms, which appear in agreement with the fault systems of the caldera and with tomographic images. The focal mechanisms are in agreement with the tensional stress induced by the caldera uplift. Most of the swarms and remaining seismicity delineate a highly fractured volume extending vertically below the Solfatara/Pisciarelli vents, where gases find preferential paths to the surface triggering earthquakes. The main swarms are located below this volume where the presence of a rigid caprock is still debated. We interpreted the current unrest in term of a gradual increment in the activity of a wide hydrothermal system whose most evident manifestation is the enlargement of the fumarolic-field of Pisciarelli and the increment of the earthquakes occurrence rate.
Control method of stepping motor for spaceborne solar irradiance spectrometer
Authors: Wang Yan , Wang Jianing , Li Zhanfeng , Huang Yu
Published: February 2022

The encoder is not included in the hardware design of the Spaceborne Solar Irradiance Spectrometer, so in this paper, a high precision control method of stepping motor is proposed, which can position accurately without encoder. When the wavelength scanning mechanism is controlled, the validity of the hall signal is judged by controlling the forward and reverse rotation of the motor and the fixed steps of the motor. When the hall signal is valid, the operation of returning to the starting position is performed normally. The motor drive is subdivided into 16 substeps, and each substep is only 0.1125°. The control method of turntable mechanism is to quickly return to the starting position, after overshoot, one-step reverse rotation with appropriate delay to move out of hall effective area, and then identify the starting position. The experimental results show that the method can meet the requirements of wavelength repeatability less than 0.01 nm, wavelength calibration accuracy less than 0.05 nm, and calibration accuracy stability less than 0.2%. At the same time, the volume and weight of the system are reduced, and the miniaturization of the system is realized.
Artificial intelligence outperforms standard blood-based scores in identifying liver fibrosis patients in primary care
Authors: Blanes-Vidal Victoria , Lindvig Katrine P. , Thiele Maja , Nadimi Esmaeil S. , Krag Aleksander
Published: February 2022

For years, hepatologists have been seeking non-invasive methods able to detect significant liver fibrosis. However, no previous algorithm using routine blood markers has proven to be clinically appropriate in primary care. We present a novel approach based on artificial intelligence, able to predict significant liver fibrosis in low-prevalence populations using routinely available patient data. We built six ensemble learning models (LiverAID) with different complexities using a prospective screening cohort of 3352 asymptomatic subjects. 463 patients were at a significant risk that justified performing a liver biopsy. Using an unseen hold-out dataset, we conducted a head-to-head comparison with conventional methods: standard blood-based indices (FIB-4, Forns and APRI) and transient elastography (TE). LiverAID models appropriately identified patients with significant liver stiffness (> 8 kPa) (AUC of 0.86, 0.89, 0.91, 0.92, 0.92 and 0.94, and NPV ≥ 0.98), and had a significantly superior discriminative ability (p < 0.01) than conventional blood-based indices (AUC = 0.60–0.76). Compared to TE, LiverAID models showed a good ability to rule out significant biopsy-assessed fibrosis stages. Given the ready availability of the required data and the relatively high performance, our artificial intelligence-based models are valuable screening tools that could be used clinically for early identification of patients with asymptomatic chronic liver diseases in primary care.
Physiological and transcriptome analysis reveals the differences in nitrate content between lamina and midrib of flue-cured tobacco
Authors: Feng Yuqing , Zhao Yuanyuan , Li Yafei , Zhou Jun , Li Yujing , Shi Hongzhi
Published: February 2022

Nitrate is an important precursor of tobacco-specific nitrosamines (TSNAs) and a remarkable difference in nitrate accumulation between lamina and midrib of flue-cured tobacco has long been observed. However, the physiological and molecular mechanisms underpinning this difference remain poorly understood. In this study, physiological and genetic factors impacting nitrate accumulation were identified in pot experiments using flue-cured tobacco K326 with contrasting nitrate content between lamina and midrib. The results showed that three times higher NO3-N content was observed in midrib than that in the lamina, along with lower pigment, NH4-N content, nitrate reductase activity (NRA), sucrose synthetase activity (SSA), and glutamine synthetase activity (GSA) in midrib. Transcriptome analysis revealed that expression of genes involved in porphyrin and chlorophyll metabolism, carotenoid biosynthesis, photosynthesis-antenna proteins, photosynthesis, carbon fixation in photosynthetic organisms, starch and sucrose metabolism, nitrogen metabolism, and biosynthesis of amino acids were significantly lower in midrib than in lamina. qRT-PCR results showed that the expression level of nitrate transporter genes LOC107782967, LOC107806749, LOC107775674, LOC107829632, LOC107799198, LOC107768465 decreased by 2.74, 1.81, 49.5, 3.5, 2.64 and 2.96-folds while LOC107789301 increased by 8.23-folds in midrib but not in lamina. Reduced chlorophyll content might result in low carbohydrate formation which is the source of energy and carbon skeleton supply, then the low capacity of nitrogen reduction, assimilation and transportation, and the poor ability of nitrate reallocation but the high capacity of accumulation might lead to nitrate accumulation in midrib. The results laid the foundation for reducing nitrate content and TSNA formation in tobacco midribs and their products.
Time to lost to follow-up and its predictors among adult patients receiving antiretroviral therapy retrospective follow-up study Amhara Northwest Ethiopia
Authors: Telayneh Animut Takele , Tesfa Mulugeta , Woyraw Wubetu , Temesgen Habtamu , Alamirew Nakachew Mekonnen , Haile Dessalegn , Tafere Yilkal , Petrucka Pammla
Published: February 2022

Antiretroviral therapy lowers viral load only when people living with HIV maintain their treatment retention. Lost to follow-up is the persistent major challenge to the success of ART program in low-resource settings including Ethiopia. The purpose of this study is to estimate time to lost to follow-up and its predictors in antiretroviral therapies amongst adult patients. Among registered HIV patients, 542 samples were included. Data cleaning and analysis were done using Stata/SE version 14 software. In multivariable Cox regression, a p-value < 0.05 at 95% confidence interval with corresponding adjusted hazards ratio (AHR) were statistically significant predictors. In this study, the median time to lost to follow-up is 77 months. The incidence density of lost to follow-up was 13.45 (95% CI: 11.78, 15.34) per 100 person-years. Antiretroviral therapy drug adherence [AHR: 3.04 (95% CI: 2.18, 4.24)], last functional status [AHR: 2.74 (95% CI: 2.04, 3.67)], and INH prophylaxis [AHR: 1.65 (95% CI: 1.07, 2.56) were significant predictors for time to lost to follow-up. The median time to lost was 77 months and incidence of lost to follow-up was high. Health care providers should be focused on HIV counseling and proper case management focused on identified risks.
Investigation of physicochemical characteristics of selected lignocellulose biomass
Authors: Fajobi M. O. , Lasode O. A. , Adeleke A. A. , Ikubanni P. P. , Balogun A. O.
Published: February 2022

The beneficial effects of biofuels as components of the worldwide energy supply are unquantifiable because they have versatile applications. However, an adequate understanding of the chemical properties of typical biomass is an integral aspect of maximizing the energy potentials because it is susceptible to biomass behavior during the conversion process, especially anaerobic digestion. Therefore, this study investigated the physicochemical characteristics of selected lignocellulose biomass, namely; cow dung, mango pulp, andChromolaena odorataof Nigerian origin. The raw biomasses were characterized by proximate, calorific, ultimate, compositional, and microbial (for cow dung only) analyses using ASTM standards and equipment. Raw biomass characterization showed that cow dung, mango pulp, andChromolaena odorata leavesrecorded percentages; fixed carbon, volatile matter, and ash contents in addition to calorific values in the ranges of 6.22–7.25%, 5.02–7.79%, 1.14–1.91,% and 13.77–16.16 MJ/kg, respectively. The ultimate analysis of cow dung, mango pulp and Chromolaena odorata recorded carbon (43.08, 39.98, 41.69%); hydrogen (7.87, 6.74, 9.86%); nitrogen (1.53, 1.34, 1.51%); sulphur (0.46, 0.12, 0.25%) and oxygen (47.06, 51.82, 46.69%), respectively. Compositional analysis of the biomass gave percentages in the range of 7.47–11.37 for hemicellulose, 0.22–6.33 for lignin, and 3.71–12.03 for cellulose, while the microbial analysis of cow dung gave total bacteria counts of 5.78 × 108and 3.93 × 105 cfu/g on wet and dry bases, respectively, which implied that it was rich in microbial colonies, evidently from the various species found, such asEscherichia coli, Staphylococcus aureus, Bacillus cereus, Pseudomonas aureginosa, Proteus morganii, and Micrococcusspp. In this regard, the physicochemical properties of selected biomass of Nigerian origin were established to conform with those of the literature and thus can be regarded as suitable feedstock for anaerobic digestion resulting in methane-rich biogas products.
Association of lipid rafts cholesterol with clinical profile in fragile X syndrome
Authors: Toupin Amanda , Benachenhou Sérine , Abolghasemi Armita , Laroui Asma , Galarneau Luc , Fülöp Thamàs , Corbin François , Çaku Artuela
Published: February 2022

Fragile X syndrome (FXS) is the most prevalent monogenic cause of intellectual disability and autism spectrum disorder (ASD). Affected individuals have a high prevalence of hypocholesterolemia, however, the underlying mechanisms and the clinical significance remains unknown. We hypothesized that decrease in the plasma cholesterol levels is associated with an alteration of cholesterol content within the lipid rafts (LRs) which ultimately affects the clinical profile of FXS individuals. The platelets LRs were isolated by ultracentrifugation on sucrose gradient from 27 FXS and 25 healthy controls, followed by measurements of proteins, cholesterol, and gangliosides content. Autistic and adaptive behaviour of affected individuals were respectively assessed by the Social Communication Questionnaire and Adaptive Behavior Assessment System. Our results suggest a decrease in the cholesterol content of LRs in FXS individuals as compared to controls. As opposed to controls, LR cholesterol was significantly associated with plasma total cholesterol (r = 0.47; p = 0.042) in the FXS group. Furthermore, the correlation between LRs cholesterol and the clinical profile showed a significant association with autistic traits (r = − 0.67; p < 0.001) and adaptative behavior (r = 0.70; p < 0.001). These results support the clinical significance of LR cholesterol alterations in FXS. Further studies are warranted to investigate the implication of LRs in FXS pathophysiology and ASD.
Neurotoxicological profile of the hallucinogenic compound 25I-NBOMe
Authors: Herian Monika , Wojtas Adam , Maćkowiak Marzena , Wawrzczak-Bargiela Agnieszka , Solarz Anna , Bysiek Agnieszka , Madej Katarzyna , Gołembiowska Krystyna
Published: February 2022

4-Iodo-2,5-dimethoxy-N-(2-methoxybenzyl)phenethylamine (25I-NBOMe) is a new psychoactive substance with strong hallucinogenic properties. Our previous data reported increased release of dopamine, serotonin, and glutamate after acute injections and a tolerance development in the neurotransmitters release and rats’ behavior after chronic treatment with 25I-NBOMe. The recreational use of 25I-NBOMe is associated with severe intoxication and deaths in humans. There is no data about 25I-NBOMe in vivo toxicity towards the brain tissue. In this article 25I-NBOMe-crossing through the blood–brain barrier (BBB), the impact on DNA damage, apoptosis induction, and changes in the number of cortical and hippocampal cells were studied. The presence of 25I-NBOMe in several brain regions shortly after the drug administration and its accumulation after multiple injections was found. The DNA damage was detected 72 h after the chronic treatment. On the contrary, at the same time point apoptotic signal was not identified. A decrease in the number of glial but not in neural cells in the frontal (FC) and medial prefrontal cortex (mPFC) was observed. The obtained data indicate that 25I-NBOMe passes easily across the BBB and accumulates in the brain tissue. Observed oxidative DNA damage may lead to the glial cells’ death.
Intersectional, anterograde transsynaptic targeting of neurons receiving monosynaptic inputs from two upstream regions
Authors: Kitanishi Takuma , Tashiro Mariko , Kitanishi Naomi , Mizuseki Kenji
Published: February 2022

A brain region typically receives inputs from multiple upstream areas. However, currently, no method is available to selectively dissect neurons that receive monosynaptic inputs from two upstream regions. Here, we developed a method to genetically label such neurons with a single gene of interest in mice by combining the anterograde transsynaptic spread of adeno-associated virus serotype 1 (AAV1) with intersectional gene expression. Injections of AAV1 expressing either Cre or Flpo recombinases and the Cre/Flpo double-dependent AAV into two upstream regions and the downstream region, respectively, were used to label postsynaptic neurons receiving inputs from the two upstream regions. We demonstrated this labelling in two distinct circuits: the retina/primary visual cortex to the superior colliculus and the bilateral motor cortex to the dorsal striatum. Systemic delivery of the intersectional AAV allowed the unbiased detection of the labelled neurons throughout the brain. This strategy may help analyse the interregional integration of information in the brain.
Iodide etching for one-step quantitative assay of the number of DNA molecules capped on gold nanoparticles
Authors: Ding Yan , Zhang Yu , Shi Xiaoqi , Liao Lingling , Li Qinghe , Duan Tingmei , Jiang Hao , Ding ZhongXiang , Wang Hongyan , Liu Honglin
Published: February 2022

A one-step, non-toxic, and direct method is developed to analyze the GNPs surface DNA number by iodide etching.
Low-temperature reaction dynamics of paramagnetic species in the gas phase
Authors: Wu Lok Yiu , Miossec Chloé , Heazlewood Brianna R.
Published: February 2022

By carefully controlling the reactants and precisely probing the products, we can gain insights into how radical reactions occur on a fundamental level.
1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers
Authors: Senchyk Ganna A. , Lysenko Andrey B. , Krautscheid Harald , Rusanov Eduard B. , Karbowiak Miroslaw , Domasevitch Kostiantyn V.
Published: February 2022

A 1,2,4-triazol-4-yl-acetic acid (trGly-H) was used for the synthesis of AgI and AgI/UVI coordination polymers. The composition space diagram was built for the AgNO3/trGly-H/UO2(NO3)2·6H2O system shows the crystallization fields of two AgI/UVI-compounds were found.
Nonionic omnisoluble photosensitizer reference material for the estimation of singlet oxygen quantum yield
Authors: Payne Daniel T. , Hynek Jan , Labuta Jan , Hill Jonathan P.
Published: February 2022

A new omnisoluble reference material for relative estimation of singlet oxygen quantum yields of photosensitizers has been prepared and characterized.
Evaluation of interfacial misfit strain field of heterostructures using STEM nano secondary moiré method
Authors: Zhao Yao , Yang Yang , Wen Huihui , Liu Chao , Huang Xianfu , Liu Zhanwei
Published: February 2022

A secondary moiré is developed to solve the measurement error caused by too dense moiré when evaluating atomic lattice quality.
Delivery strategies in treatments of leukemia
Authors: Ci Tianyuan , Zhang Wentao , Qiao Yingyu , Li Huangjuan , Zang Jing , Li Hongjun , Feng Nianping , Gu Zhen
Published: February 2022

This review highlights the advances of delivery strategies in leukemia treatmentviamodifying drug pharmacokinetics, navigating drugs to the tumor cell/microenvironment and reversing drug resistance. Challenges and possible opportunities are discussed.
Defect-stabilized nickel on beta zeolite as a promising catalyst for dry reforming of methane
Authors: Kweon Sungjoon , Bae Jongil , Cho Yunhye , Lee Siyeon , Kim Jiyoung , Jo Donghui , Shin Chae-Ho , Park Min Bum , Min Hyung-Ki
Published: February 2022

An active and stable Ni-BEA catalyst for dry reforming of methane was achieved by the in situ formation of highly dispersed Ni clusters that are stabilized by defect sites.
{2-Phases 2-reactions 1-catalyst} concept for the sustainable performance of coupled reactions
Authors: Schmid Philipp , Jost Gasper , Graß Xaver , Touraud Didier , Diat Olivier , Pfitzner Arno , Bauduin Pierre
Published: February 2022

A physicochemical concept – called {2-phases 2-reactions 1-catalyst} – to perform two chemical reactions simultaneously with only one catalyst using a liquid–liquid biphasic system is established.
Boron-based non-fullerene small molecule acceptors via nitrogen substitution: a theoretical study
Authors: Yang Jie , Wu Xun , Li Quan-Song , Li Ze-Sheng
Published: February 2022

Theoretical calculations show that new boron-based acceptors with nitrogen substitution lead to enhanced electron mobility, and improved light-absorption and interfacial properties which are helpful for performances of organic solar cells.
Cellular nanointerface of vertical nanostructure arrays and its applications
Authors: Zhang Aihua , Fang Jiaru , Li Xiangling , Wang Ji , Chen Meiwan , Chen Hui-jiuan , He Gen , Xie Xi
Published: February 2022

The fabrication technology of vertical nanostructures, the formation of cellular nanointerfaces and the effects of cellular nanointerfaces on cells' fates and functions, as well as its applications.
Preparation of chiral aryl alcohols: a controllable enzymatic strategy via light-driven NAD(P)H regeneration
Authors: Xing Xiu , Liu Yan , Shi Ming-Liang , Li Kun , Fan Xin-Yue , Wu Zhong-Liu , Wang Na , Yu Xiao-Qi
Published: February 2022

Controllable and mild photoenzymatic production of chiral alcohols was realized by coupling a photochemical NAD(P)H regeneration system with (R)- or (S)-selective ketoreductases.
Towards custom built double core carbon nanothreads using stilbene and pseudo-stilbene type systems
Authors: Romi Sebastiano , Fanetti Samuele , Alabarse Frederico , Mio Antonio M. , Haines Julien , Bini Roberto
Published: February 2022

Double diamond-like wires connected through chromophores which define the electronic properties have been synthesized compressing in a diamond anvil cell crystalline members of the stilbene class.
Sulfonated red and far-red rhodamines to visualize SNAP- and Halo-tagged cell surface proteins
Authors: Birke Ramona , Ast Julia , Roosen Dorien A. , Lee Joon , Roßmann Kilian , Huhn Christiane , Mathes Bettina , Lisurek Michael , Bushiri David , Sun Han , Jones Ben , Lehmann Martin , Levitz Joshua , Haucke Volker , Hodson David J. , Broichhagen Johannes
Published: February 2022

Sulfonated rhodamine dyes allow SNAP- and Halo-tag labelling of cell surface protein fusions. A far-red version can be used for STED nanoscopy.
Electron beam-induced athermal nanowelding of crossing SiOx amorphous nanowires
Authors: Zheng Yuchen , Cheng Liang , Su Jiangbin , Chen Chuncai , Zhu Xianfang , Li Hang
Published: February 2022

Athermal welding of crossing SiOx nanowires under e-beam irradiation is in situ observed by TEM. A relevant simulation considering nanocurvature effect and athermal activation effect gives the corresponding 3D structural evolution and the velocity field of atom migration.
Thermoelectric properties of doped graphene nanoribbons: density functional theory calculations and electrical transport
Authors: Rahmati E. , Bafekry A. , Faraji M. , Gogva D. , Nguyen Chuong V. , Ghergherehchi M.
Published: February 2022

We present a detailed study on band structure-dependent properties such as electrical conductivity, the charge of carriers and Seebeck coefficients of graphene nano-ribbons doped with atoms since the spin thermopower could be enhanced by impurities.
Experimental study of the thermal storage and mechanical properties of microencapsulated phase change composites during a supersonic cruise
Authors: Zhang C. , Wang Y. , Jin Z. G. , Ke H. B. , Wang H.
Published: February 2022

Deformation mode will translate from a brittle fracture into a brittle deformation status during the microencapsulated phase change the composite phase transition.
Hydrodynamic simulations of sedimenting dilute particle suspensions under repulsive DLVO interactions
Authors: Jung David , Uttinger Maximilian Johannes , Malgaretti Paolo , Peukert Wolfgang , Walter Johannes , Harting Jens
Published: February 2022

We discuss the effect of electrostatic repulsion in sedimenting dilute particle suspensions.
Controlling the shape morphology of origami-inspired photoresponsive hydrogels
Authors: Aggarwal Aaveg , Li Chuang , Stupp Samuel I. , Olvera de la Cruz Monica
Published: February 2022

The concept of origami has influenced the development of responsive materials that can mimic complex functions performed by living organisms. We developed and modeled a hydrogel system that can dynamically change morphology in response to light.
Motion of an active particle with dynamical disorder
Authors: Goswami Koushik , Chakrabarti Rajarshi
Published: February 2022

Theoretical investigation of the motion of an active particle in a dynamically disordered medium, exploring how the interplay between activity and heterogeneity affects the dynamics.
Advancements in organic small molecule hole-transporting materials for perovskite solar cells: past and future
Authors: Murugan Pachaiyappan , Hu Ting , Hu Xiaotian , Chen Yiwang
Published: February 2022

With a special emphasis on chemistry, this study presents a comprehensive review of the various molecular design, structural properties, and organic synthesis of novel small molecule HTMs, as well as their impact on photovoltaic performance.
Photocurable silk fibroin-based tissue sealants with enhanced adhesive properties for the treatment of corneal perforations
Authors: Tutar Rumeysa , Yüce-Erarslan Elif , İzbudak Burçin , Bal-Öztürk Ayça
Published: February 2022

Herein, we developed a photocurable silk fibroin-based ocular tissue adhesive with enhanced adhesive features.
Engineering strategies to achieve efficientin vitroexpansion of haematopoietic stem cells: development and improvement
Authors: Liu Bangheng , Tao Chao , Wu Zhonglian , Yao Hang , Wang Dong-An
Published: February 2022

Schematic illustration of the 3D culture model including scaffold-based and scaffold-free systems forin vitroexpansion of haematopoietic stem cells.
Fluorescent probes based on multifunctional encapsulated perylene diimide dyes for imaging of lipid droplets in live cells
Authors: Li Xinwei , Yang Zikang , Bian Jiqing , Fu Mingyang , Zhang Yan , Jiang Nan , Qiao Yanjun , Chen Hua , Gao Baoxiang
Published: February 2022

A multifunctional encapsulation strategy confers perylene diimide dyes with high brightness, live-cell permeability, excellent anti-oxidation and lipid droplet-specific staining ability.
Dependence of click-SELEX performance on the nature and average number of modified nucleotides
Authors: Siegl Julia , Plückthun Olga , Mayer Günter
Published: February 2022

The click-SELEX procedure enables the identification of nucleobase-modified aptamers in which chemical entities are introduced by a copper(i)-catalysed alkyne-azide ‘click’ reaction.
Flexible FeVOx porous nanorods on carbon cloth for long-life aqueous energy storage
Authors: Wang Wei , Xia Hai-feng , Zhang Bao , Wang Chunhui , Cao Liang , Ming Lei , Ou Xing
Published: February 2022

The novel cathode material FeVOx is pioneeringly investigated in supercapacitors and zinc-ion batteries, and displays advanced cycling performances.
A highly durable graphene monolayer electrode under long-term hydrogen evolution cycling
Authors: Wehrhold Michel , Neubert Tilmann J. , Grosser Tobias , Vondráček Martin , Honolka Jan , Balasubramanian Kannan
Published: February 2022

Carefully prepared pristine graphene monolayer electrodes allow for more than 1000 cycles of hydrogen evolution reaction cycling without any damage to the carbon framework.
Monitoring the gold nanoshell growth mechanism: stabilizing and destabilizing effects of PEG-SH molecules
Authors: Gordel-Wójcik Marta , Piela Katarzyna , Kołkowski Radosław
Published: February 2022

The numerical simulations have revealed high local field enhancements (∼100-fold) in uncompleted nanoshells, which are significantly greater than in completed nanoshells (∼10-fold).
Synthesis of P-doped NiS as an electrode material for supercapacitors with enhanced rate capability and cycling stability
Authors: Peng Li'an , Tuo Yongxiao , Lin Yan , Jia Cuiping , Wang Shutao , Zhou Yan , Zhang Jun
Published: February 2022

Coral-like P-doped NiS nanocrystals were successfully synthesized by a two-step solvent-thermal method. The P-doped NiS electrode presented enhanced high capacitance, rate performance, and cycle life.
Rational design of ROS-responsive nanocarriers for targeted X-ray-induced photodynamic therapy and cascaded chemotherapy of intracranial glioblastoma
Authors: Zhang Beibei , Xue Rui , Sun Chunyang
Published: February 2022

Targeted T-TKNPVP consisting of ROS-responsive thioketal linkers realized transcranial X-PDT and X-ray-activated chemotherapy for locoregional glioblastoma treatment in vivo.
Cu clusters/TiO2−x with abundant oxygen vacancies for enhanced electrocatalytic nitrate reduction to ammonia
Authors: Zhang Xi , Wang Changhong , Guo Yamei , Zhang Bin , Wang Yuting , Yu Yifu
Published: February 2022

10Cu/TiO2−x exhibits outstanding electrocatalytic performance toward nitrate reduction to ammonia due to the abundant oxygen vacancies at the interface.
Toward rational design of TADF two-coordinate coinage metal complexes: understanding the relationship between natural transition orbital overlap and photophysical properties
Authors: Li Tian-yi , Schaab Jonas , Djurovich Peter I. , Thompson Mark E.
Published: February 2022

A series of twelve two-coordinate coinage metal, Cu, Ag and Au, complexes with carbene-metal-amide structures were prepared and used to study the correlation of the overlap between the hole and electron NTOs with the electronic and photophysical properties of these TADF emitters.
Short‐term electricity price forecasting based on graph convolution network and attention mechanism
Authors: Yang Yuyun , Tan Zhenfei , Yang Haitao , Ruan Guangchun , Zhong Haiwang , Liu Fengkui
Published: February 2022

In electricity markets, locational marginal price (LMP) forecasting is particularly important for market participants in making reasonable bidding strategies, managing potential trading risks, and supporting efficient system planning and operation. Unlike existing methods that only consider LMPs' temporal features, this paper tailors a spectral graph convolutional network (GCN) to greatly improve the accuracy of short‐term LMP forecasting. A three‐branch network structure is then designed to match the structure of LMPs' compositions. Such kind of network can extract the spatial‐temporal features of LMPs, and provide fast and high‐quality predictions for all nodes simultaneously. The attention mechanism is also implemented to assign varying importance weights between different nodes and time slots. Case studies based on the IEEE‐118 test system and real‐world data from the PJM validate that the proposed model outperforms existing forecasting models in accuracy, and maintains a robust performance by avoiding extreme errors.
Performance comparison of single and ensemble CNN, LSTM and traditional ANN models for short‐term electricity load forecasting
Authors: Kathirgamanathan Arurun , Patel Afzal , Khwaja Ahmed S. , Venkatesh Bala , Anpalagan Alagan
Published: February 2022

The authors propose bagged and boosted convolutional neural networks (CNNs) and long short‐term memory (LSTM) networks, and compare their performance with the bagged and boosted traditional shallow artificial neural networks (ANNs) for short‐term electricity load forecasting. Unlike existing references that mainly compare the performance of ensemble deep learning with single deep learning and machine learning techniques, three further performance comparisons are carried out: (1) bagged CNNs and bagged LSTMs, (2) boosted CNNs and LSTMs, and (3) bagged CNNs and bagged LSTMs, and boosted CNNs and LSTMs. This allows an insight into the individual effects of ensemble learning on CNNs and LSTMs. The proposed models' inputs consist of weather and time‐related features in addition to the past load. The use of these features allows CNNs and LSTMs to estimate further complex relationship between them and the load. We implement all these methods and compare their performance on the same New England electricity load forecasting data set via statistical analysis. Effects on the forecasting performance with reduced training data are further shown. The LSTM models have the largest performance variation and are also more sensitive to a reduction in training data. In these models, boosting can improve both prediction accuracy and consistency.
Heating of the solar chromosphere through current dissipation
Authors: da Silva Santos J. M. , Danilovic S. , Leenaarts J. , de la Cruz Rodríguez J. , Zhu X. , White S. M. , Vissers G. J. M. , Rempel M.
Published: February 2022

Context.The solar chromosphere is heated to temperatures higher than predicted by radiative equilibrium. This excess heating is greater in active regions where the magnetic field is stronger.

Aims.We aim to investigate the magnetic topology associated with an area of enhanced millimeter (mm) brightness temperatures in a solar active region mapped by the Atacama Large Millimeter/submillimeter Array (ALMA) using spectropolarimetric co-observations with the 1-m Swedish Solar Telescope (SST).

Methods.We used Milne–Eddington inversions, nonlocal thermodynamic equilibrium (non-LTE) inversions, and a magnetohydrostatic extrapolation to obtain constraints on the three-dimensional (3D) stratification of temperature, magnetic field, and radiative energy losses. We compared the observations to a snapshot of a magnetohydrodynamics simulation and investigate the formation of the thermal continuum at 3 mm using contribution functions.

Results.We find enhanced heating rates in the upper chromosphere of up to ∼5 kW m−2, where small-scale emerging loops interact with the overlying magnetic canopy leading to current sheets as shown by the magnetic field extrapolation. Our estimates are about a factor of two higher than canonical values, but they are limited by the ALMA spatial resolution (∼1.2″). Band 3 brightness temperatures reach about ∼104K in the region, and the transverse magnetic field strength inferred from the non-LTE inversions is on the order of ∼500 G in the chromosphere.

Conclusions.We are able to quantitatively reproduce many of the observed features including the integrated radiative losses in our numerical simulation. We conclude that the heating is caused by dissipation in current sheets. However, the simulation shows a complex stratification in the flux emergence region where distinct layers may contribute significantly to the emission in the mm continuum.
Graded elastic meta-waveguides for rainbow reflection, trapping and mode conversion
Authors: De Ponti Jacopo Maria , Iorio Luca , Ardito Raffaele
Published: February 2022

Precise control of elastic waves is a challenge for many applications in the field of mechanical vibrations, ultrasonic inspection, and energy harvesting. Graded arrays of resonators on elastic substrates recently revealed superior performances for broadband wave trapping and mode conversion. In this study we present elastic waveguides able to govern waves at different scales exploiting rainbow reflection, trapping and mode conversion. We investigate whether these mechanisms, and the associated control, can be used for energy harvesting or signal conversion devices.
Efficacy of spirulina in management of oral submucous fibrosis − a systematic review
Authors: Kulkarni Rashmi , Kalaskar Ashita , Kalaskar Ritesh , Gupta Neha
Published: February 2022

Objective: The aim of this systematic review was to evaluate the efficacy of spirulina in the management of oral submucous fibrosis. Methodology: Databases (MEDLINE via PubMed, Cochrane, EBSCO-host, Scopus, Science Direct, Clinical Trial Registry- India (CTRI) and Google scholar), review articles, bibliographies and related journal were searched from 1st January 2010 to 30th May 2020, using various combinations of MeSH terms and keywords. Results: A total of 5 clinical trials were analysed for the review, of which 4 were randomized controlled trials and 1 was non-randomized controlled trial. Mouth opening and burning sensation were analysed as primary outcome in all 5 studies. For both outcomes some studies reported statistically significant difference whereas others showed non-significant results on comparing with different interventions. Also, high risk of bias was observed among studies after performing quality analysis. Conclusion: Although the studies suggest efficacy of spirulina in management of OSF, but due to the high risk of bias there is a weak evidence regarding the effectiveness of spirulina in treating OSF. So, more uniform and standard trials on larger population should be carried out.
Die Bedeutung der Verhaltens- und
Verhältnisprävention in der Metallindustrie: Empirische
Untersuchungen am Beispiel der Berufsgruppe Schweißer
Authors: Weyh Christopher , Pilat Christian , Krüger Karsten , Frech Torsten , Schubert Emil , Mooren Frank-Christoph
Published: February 2022

Muskel-Skelett-Erkrankungen gehören zu den häufigsten
berufsbedingten Erkrankungen in der Metallindustrie. Die Berufsgruppe der
Schweißer fällt dort durch hohe Prävalenzen auf. Daher
sind Maßnahmen zur Prävention und Gesundheitsförderung
dieser Zielgruppe von großem Interesse. Die vorliegende Studienreihe
hatte zum Ziel, gesundheitliche Probleme von Schweißern zu analysieren
und Möglichkeiten der Verhaltens- und
Verhältnisprävention zu untersuchen. Eine Fragebogenuntersuchung
bei 143 Schweißern in 34 Unternehmen der deutschen Industrie ergab, dass
die 12-Monats-Prävalenz von unteren Rückenschmerzen 71%,
Nackenschmerzen 61% und Schulterschmerzen 55% betrug. Insgesamt
42% der Befragten weisen eine körperliche
Freizeitaktivität unter dem von der WHO empfohlenen Umfang auf. Eine
niedrige Freizeitaktivität sowie Nackenschmerzen konnten als
unabhängige Risikofaktoren für das Auftreten von unteren
Rückenschmerzen identifiziert werden.

In einem weiteren Studienteil wurden die Auswirkungen eines individualisierten
und progressiven 24-wöchigen Ausdauer- oder Krafttrainingsprogramms bei
77 berufstätigen Schweißern untersucht. Es konnten
differenzierte Auswirkungen auf arbeitsbedingte Beanspruchungen und auf
verschiedene Dimensionen von Gesundheit und Leistung gezeigt werden. Zum
Erreichen präventiver Effekte sollten Bewegungsinterventionen mit
systematischem, langfristigem und progressivem Charakter ausgewählt
werden. Die Erfahrungen aus der Praxis zeigen allerdings auch, dass die
Barrieren zur Teilnahme an Bewegungsprogrammen hoch sind und gezielte
Maßnahmen zur Motivation und Implementierung geschaffen werden
müssen.

Neben Maßnahmen der Verhaltensprävention wurden auch
verhältnispräventive Aspekte in einem ganzheitlichen Ansatz
berücksichtigt. So konnten durch Verwendung eines ergonomisch
modifizierten Schweißbrenners bei einer Schweißsimulation die
beanspruchte Muskulatur um bis zu 9% entlastet und die
Arbeitsqualität gesteigert werden.

Insgesamt scheinen Maßnahmen der Verhaltensprävention wie ein
systematisches Training sowie der Verhältnisprävention im Sinne
der Arbeitsergonomie effektive Strategien in der Prävention und
Gesundheitsförderung bei Schweißern darzustellen.
Navigation in der muskuloskelettalen Tumorchirurgie
Authors: Weidlich Anne , Fritzsche Hagen , Winkler Doreen , Pape Alexander , Schaser Klaus-D.
Published: February 2022

Die 97. Arbeitstagung der AG Knochentumoren konnte vom 8. bis 9. Oktober 2021 in
Dresden am UniversitätsCentrum für Orthopädie, Unfall- und
plastische Chirurgie erstmals wieder als Präsenztagung unter 3G-Regeln bei
7-Tage-Inzidenzwerten von 88 stattfinden.
Tumororganoide als präklinische Tumormodelle – Implikationen für Knochen- und
Weichteiltumore
Authors: Ball Claudia R.
Published: February 2022

Technische Entwicklungen und Fortschritte im klinischen Verständnis haben in
vielen Disziplinen neue Ansatzpunkte in der personalisierten Medizin
eröffnet. Next Generation Sequencing, Immundiagnostik und andere molekulare
Analysen ermöglichen die zeitnahe Identifizierung individueller
Tumorprofile. Die gewonnen Daten können für die Stratifizierung von
Patienten verwendet werden, damit diese eine optimale onkologische, chirurgische und
strahlentherapeutische Therapie erhalten, einschließlich neuartiger
immuntherapeutischer oder gezielter Behandlungen. Diese Ansätze haben sich
bei einem großen Teil der Patienten als wirksam erwiesen (Horak et al.,
Massard et al., Sicklick et al., Trédan et al., u. a.).
Nichtsdestotrotz verbleiben für einige Patienten offene Fragen. So werden
oftmals mehrere zielgerichtete Veränderungen identifiziert, es stehen aber
nur limitierte Informationen zur Priorisierung der verschiedenen potentiellen
Behandlungsoptionen für den einzelnen Patienten zur Verfügung. Zudem
zeigt die molekulare Analyse bei einem Teil der Patienten keine potenziellen
Angriffspunkte für Medikamente als Grundlage für
Behandlungsempfehlungen. Um diese Hindernisse in der Präzisionsonkologie zu
adressieren, ist eine zusätzliche funktionelle Informationsebene von
Bedeutung: Daten über das Ansprechen präklinischer Tumormodelle auf
Behandlungen. Solche Analysen ermöglichen es, potenziell wirksame
Medikamente und/oder Behandlungsschemata nach ihrer Wirksamkeit einzustufen
und neue Erkenntnisse über die funktionelle Relevanz von gefundenen
Veränderungen zu gewinnen.
Herausforderungen der stationären Versorgung von
Fragilitätsfrakturen während der Covid 19-Pandemie –
eine Übersicht
Authors: Schultz Katharina , Beyersdorf Christoph , Maus Uwe
Published: February 2022

Die Covid-19-Pandemie hat in vielen Bereichen zwangsläufig zu einer
Veränderung der gewohnten Strukturen und Abläufe
geführt. Auch die Betreuung von Osteoporosepatienten ist davon betroffen
– von der Diagnostik bis zur Behandlung, im ambulanten und im
stationären Bereich. In einer Literaturrecherche widmeten wir uns der
Frage, inwieweit sich die stationäre Versorgung der
Osteoporose-Patienten diesbezüglich veränderte.
A power series approximation in symmetry projected coupled cluster theory
Authors: Song Ruiheng , Henderson Thomas M. , Scuseria Gustavo E.
Published: February 2022

Projected Hartree–Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly correlated systems. On the other hand, single-reference methods, such as configuration interaction or coupled cluster theory, can handle weakly correlated problems but cannot properly account for strong correlations. Ideally, we would like to combine these techniques in a symmetry-projected coupled cluster approach, but this is far from straightforward. In this work, we provide an alternative formulation to identify the so-called disentangled cluster operators, which arise when we combine these two methodological strands. Our formulation shows promising results for model systems and small molecules.
High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning
Authors: Quach Co D. , Gilmer Justin B. , Pert Daniel , Mason-Hogans Akanke , Iacovella Christopher R. , Cummings Peter T. , McCabe Clare
Published: February 2022

Monolayer films have shown promise as a lubricating layer to reduce friction and wear of mechanical devices with separations on the nanoscale. These films have a vast design space with many tunable properties that can affect their tribological effectiveness. For example, terminal group chemistry, film composition, and backbone chemistry can all lead to films with significantly different tribological properties. This design space, however, is very difficult to explore without a combinatorial approach and an automatable, reproducible, and extensible workflow to screen for promising candidate films. Using the Molecular Simulation Design Framework (MoSDeF), a combinatorial screening study was performed to explore 9747 unique monolayer films (116 964 total simulations) and a machine learning (ML) model using a random forest regressor, an ensemble learning technique, to explore the role of terminal group chemistry and its effect on tribological effectiveness. The most promising films were found to contain small terminal groups such as cyano and ethylene. The ML model was subsequently applied to screen terminal group candidates identified from the ChEMBL small molecule library. Approximately 193 131 unique film candidates were screened with approximately a five order of magnitude speed-up in analysis compared to simulation alone. The ML model was thus able to be used as a predictive tool to greatly speed up the initial screening of promising candidate films for future simulation studies, suggesting that computational screening in combination with ML can greatly increase the throughput in combinatorial approaches to generate in silico data and then train ML models in a controlled, self-consistent fashion.