bluuebunny/crossref_metadata_2025 huggingface dataset:
Metabolic profile in endothelial cells of chronic thromboembolic pulmonary hypertension and pulmonary arterial hypertension
Authors: Smolders V. F. E. D. , Rodríguez C. , Blanco I. , Szulcek R. , Timens Wim , Piccari L. , Roger Y. , Hu X. , Morén Constanza , Bonjoch C. , Sebastián L. , Castellà M. , Osorio J. , Peinado V. I. , Bogaard Harm Jan , Quax P. H. A. , Cascante M. , Barberà J. A. , Tura-Ceide O.
Published: February 2022

Chronic thromboembolic pulmonary hypertension (CTEPH) and pulmonary arterial hypertension (PAH) are two forms of pulmonary hypertension (PH) characterized by obstructive vasculopathy. Endothelial dysfunction along with metabolic changes towards increased glycolysis are important in PAH pathophysiology. Less is known about such abnormalities in endothelial cells (ECs) from CTEPH patients. This study provides a systematic metabolic comparison of ECs derived from CTEPH and PAH patients. Metabolic gene expression was studied using qPCR in cultured CTEPH-EC and PAH-EC. Western blot analyses were done for HK2, LDHA, PDHA1, PDK and G6PD. Basal viability of CTEPH-EC and PAH-EC with the incubation with metabolic inhibitors was measured using colorimetric viability assays. Human pulmonary artery endothelial cells (HPAEC) were used as healthy controls. Whereas PAH-EC showed significant higher mRNA levels of GLUT1, HK2, LDHA, PDHA1 and GLUD1 metabolic enzymes compared to HPAEC, CTEPH-EC did not. Oxidative phosphorylation associated proteins had an increased expression in PAH-EC compared to CTEPH-EC and HPAEC. PAH-EC, CTEPH-EC and HPAEC presented similar HOXD macrovascular gene expression. Metabolic inhibitors showed a dose-dependent reduction in viability in all three groups, predominantly in PAH-EC. A different metabolic profile is present in CTEPH-EC compared to PAH-EC and suggests differences in molecular mechanisms important in the disease pathology and treatment.
High-speed rail model reveals the gene tandem amplification mediated by short repeated sequence in eukaryote
Authors: Chen Haidi , Xue Jingwen , Zhang Zhenghou , Zhang Geyu , Xu Xinyuan , Li He , Zhang Ruxue , Ullah Najeeb , Chen Lvxing , Amanullah  , Zang Zhuqing , Lai Shanshan , He Ximiao , Li Wei , Guan Miao , Li Jingyi , Chen Liangbiao , Deng Cheng
Published: February 2022

The occurrence of gene duplication/amplification (GDA) provide potential material for adaptive evolution with environmental stress. Several molecular models have been proposed to explain GDA, recombination via short stretches of sequence similarity plays a crucial role. By screening genomes for such events, we propose a “SRS (short repeated sequence) *N + unit + SRS*N” amplified unit under USCE (unequal sister-chromatid exchange) for tandem amplification mediated by SRS with different repeat numbers in eukaryotes. The amplified units identified from 2131 well-organized amplification events that generate multi gene/element copy amplified with subsequent adaptive evolution in the respective species. Genomic data we analyzed showed dynamic changes among related species or subspecies or plants from different ecotypes/strains. This study clarifies the characteristics of variable copy number SRS on both sides of amplified unit under USCE mechanism, to explain well-organized gene tandem amplification under environmental stress mediated by SRS in all eukaryotes.
Diversity, trait preferences, management and utilization of yams landraces (Dioscorea species): an orphan crop in DR Congo
Authors: Adejumobi Idris I. , Agre Paterne A. , Onautshu Didy O. , Adheka Joseph G. , Bambanota Mokonzi G. , Monzenga Jean-Claude L. , Komoy Joseph L. , Cipriano Inacio M.
Published: February 2022

Yam (Dioscorea spp.) is cultivated in many villages of DR Congo as a means to sustain food security and alleviate poverty. However, the extent of the existing diversity has not been studied in details thus, considered as an orphan. A survey covering 540 farmers in 54 villages was conducted in six major yam growing territories covering three provinces in DR Congo to investigate the diversity, management and utilization of yam landraces using pre-elaborate questionnaires. Subject to synonymy, a total of 67 landraces from five different species were recorded. Farmers’ challenges limiting yam production were poor tuber qualities (69%), harvest pest attack (7%), difficulty in harvesting (6%), poor soil status (6%). The overall diversity was moderate among the recorded yam germplasm maintained at the household level (1.32) and variability exist in diversity amongst the territories and provinces. Farmers’ in territories of Tshopo and Mongala provinces maintained higher level of germplasm diversity (2.79 and 2.77) compared to the farmers in territories of Bas-Uélé (1.67). Some yam landraces had limited abundance and distribution due to loss of production interest in many villages attributable to poisons contained hence, resulting in possible extinction. Farmers’ most preferred seed source for cultivation were backyard (43%) and exchange with neighboring farmers (31%) with the objective of meeting food security and generating income. In villages where yam production is expanding, farmers are relying on landraces with good tuber qualities and high yield even though they are late maturing. This study revealed the knowledge of yam landrace diversity, constraints to production and farmers’ preferences criteria as a guide for collection and conservation of yam germplasm for yam improvement intervention.
Impact of intra-abdominal pressure on early kidney transplant outcomes
Authors: Coca Armando , Arias-Cabrales Carlos , Pérez-Sáez María José , Fidalgo Verónica , González Pablo , Acosta-Ochoa Isabel , Lorenzo Arturo , Rollán María Jesús , Mendiluce Alicia , Crespo Marta , Pascual Julio , Bustamante-Munguira Juan
Published: February 2022

Increased intra-abdominal pressure (IAP) is common among post-surgical patients and may cause organ dysfunction. However, its impact after kidney transplantation on early postoperative complications and graft recovery remains unclear. We designed a prospective, observational cohort study to describe the prevalence and determinants of IAP, as well as its effect on delayed graft function, postoperative complications, and graft recovery. IAP was measured in 205 kidney transplant recipients every 8 h during the first 72 h after surgery using the urinary bladder technique. Intra-abdominal hypertension was defined as IAP ≥ 12 mmHg. Patients were followed for 6 months or until graft failure/death. Mean IAP was 12 ± 3.3 mmHg within the first 24 h. 78% of subjects presented with intra-abdominal hypertension during the first 72 h. Increased IAP was associated with higher renal resistive index [r = 0.213; P = 0.003] and lower urine output [r =  − 0.237; P < 0.001]. 72 h mean IAP was an independent risk factor for delayed graft function [OR: 1.31; 95% CI: 1.13–1.51], postoperative complications [OR: 1.17; 95% CI: 1.03–1.33], and absence of graft function recovery [HR for graft function recovery: 0.94; 95% CI: 0.88–0.99]. Increased IAP was highly prevalent after transplantation and was independently associated with delayed graft function, postoperative complications, and absence of graft function recovery. Routine IAP monitoring should be considered post-transplantation to facilitate early recognition of relevant complications.
Persistent susceptibility of Aedes aegypti to eugenol
Authors: Adhikari Kamal , Khanikor Bulbuli , Sarma Riju
Published: February 2022

Botanical insecticides are preferred for their environment and user-friendly nature. Eugenol is a plant-based monoterpene having multifarious biocidal activities. To understand whether eugenol would persistently work against Aedes aegypti, we performed larvicidal bioassays on thirty successive generations and determined median lethal concentration (LC50) on each generation. Results showed no apparent differences between LC50 at F0 (63.48 ppm) and F30 (64.50 ppm) indicating no alteration of susceptibility toward eugenol. To analyze, if eugenol has any effect on metabolic detoxification-associated enzymes, we measured esterases (alpha and beta), cytochrome P450, and GST activities from the survived larvae exposed to LC50 concentration from F0–F30. Results revealed a decrease of esterases, GST, and cytochrome P450 activities at the initial 4–8 generations and then a gradual increase as the generations progressed. GST activity remained significantly below the control groups. Synergists (TPP, DEM, and PBO) were applied along with eugenol at F30 and LC50 concentration, and the said enzyme activities were recorded. Results showed a noticeable decrease in LC50 and enzyme activities indicating effective inhibitions of the respective enzymes. Overall, present results inferred that eugenol would effectively work as a larvicide for a longer period in successive generations without initiating rapid resistance and therefore could be advocated for controlling A. aegypti.
Machine learning-based diagnosis and risk factor analysis of cardiocerebrovascular disease based on KNHANES
Authors: Oh Taeseob , Kim Dongkyun , Lee Siryeol , Won Changwon , Kim Sunyoung , Yang Ji-soo , Yu Junghwa , Kim Byungsung , Lee Joohyun
Published: February 2022

The prevalence of cardiocerebrovascular disease (CVD) is continuously increasing, and it is the leading cause of human death. Since it is difficult for physicians to screen thousands of people, high-accuracy and interpretable methods need to be presented. We developed four machine learning-based CVD classifiers (i.e., multi-layer perceptron, support vector machine, random forest, and light gradient boosting) based on the Korea National Health and Nutrition Examination Survey. We resampled and rebalanced KNHANES data using complex sampling weights such that the rebalanced dataset mimics a uniformly sampled dataset from overall population. For clear risk factor analysis, we removed multicollinearity and CVD-irrelevant variables using VIF-based filtering and the Boruta algorithm. We applied synthetic minority oversampling technique and random undersampling before ML training. We demonstrated that the proposed classifiers achieved excellent performance with AUCs over 0.853. Using Shapley value-based risk factor analysis, we identified that the most significant risk factors of CVD were age, sex, and the prevalence of hypertension. Additionally, we identified that age, hypertension, and BMI were positively correlated with CVD prevalence, while sex (female), alcohol consumption and, monthly income were negative. The results showed that the feature selection and the class balancing technique effectively improve the interpretability of models.
Pitavastatin activates mitophagy to protect EPC proliferation through a calcium-dependent CAMK1-PINK1 pathway in atherosclerotic mice
Authors: Yang Jie , Sun Mengjia , Cheng Ran , Tan Hu , Liu Chuan , Chen Renzheng , Zhang Jihang , Yang Yuanqi , Gao Xubin , Huang Lan
Published: February 2022

Statins play a major role in reducing circulating cholesterol levels and are widely used to prevent coronary artery disease. Although they are recently confirmed to up-regulate mitophagy, little is known about the molecular mechanisms and its effect on endothelial progenitor cell (EPC). Here, we explore the role and mechanism underlying statin (pitavastatin, PTV)-activated mitophagy in EPC proliferation. ApoE−/− mice are fed a high-fat diet for 8 weeks to induce atherosclerosis. In these mice, EPC proliferation decreases and is accompanied by mitochondrial dysfunction and mitophagy impairment via the PINK1-PARK2 pathway. PTV reverses mitophagy and reduction in proliferation. Pink1 knockout or silencing Atg7 blocks PTV-induced proliferation improvement, suggesting that mitophagy contributes to the EPC proliferation increase. PTV elicits mitochondrial calcium release into the cytoplasm and further phosphorylates CAMK1. Phosphorylated CAMK1 contributes to PINK1 phosphorylation as well as mitophagy and mitochondrial function recover in EPCs. Together, our findings describe a molecular mechanism of mitophagy activation, where mitochondrial calcium release promotes CAMK1 phosphorylation of threonine177 before phosphorylation of PINK1 at serine228, which recruits PARK2 and phosphorylates its serine65 to activate mitophagy. Our results further account for the pleiotropic effects of statins on the cardiovascular system and provide a promising and potential therapeutic target for atherosclerosis.
The hadal zone is an important and heterogeneous sink of black carbon in the ocean
Authors: Zhang Xi , Xu Yunping , Xiao Wenjie , Zhao Meixun , Wang Zicheng , Wang Xuchen , Xu Liping , Luo Min , Li Xinxin , Fang Jiasong , Fang Yin , Wang Yasong , Oguri Kazumasa , Wenzhöfer Frank , Rowden Ashley A. , Mitra Siddhartha , Glud Ronnie N.
Published: February 2022

Black carbon is ubiquitous in the marine environment. However, whether it accumulates in the deepest ocean region, the hadal zone, is unknown. Here we measure the concentration and carbon isotopes (δ13C and Δ14C) of black carbon and total organic carbon in sediments from six hadal trenches. Black carbon constituted 10% of trench total organic carbon, and its δ13C and Δ14C were more negative than those of total organic carbon, suggesting that the black carbon was predominantly derived from terrestrial C3 plants and fossil fuels. The contribution of fossil carbon to the black carbon pool was spatially heterogeneous, which could be related to differences in the distance to landmass, land cover and socioeconomic development. Globally, we estimate a black carbon burial rate of 1.0 ± 0.5 Tg yr−1 in the hadal zone, which is seven-fold higher than the global ocean average per unit area. We propose that the hadal zone is an important, but overlooked, sink of black carbon in the ocean.
Upper troposphere dust belt formation processes vary seasonally and spatially in the Northern Hemisphere
Authors: Yang Kang , Wang Zhien , Luo Tao , Liu Xiaohong , Wu Mingxuan
Published: February 2022

Dust aerosols impact global energy balance substantially by acting as efficient ice nuclei to alter cold cloud properties. However, the estimate of dust indirect effect remains uncertain due to simulating dust distributions poorly and lacking reliable dust observations, especially in the upper-troposphere. Here, we characterize and understand upper-troposphere dust sources and transport with an improved dust dataset derived from A-train satellite lidar and radar measurements and an air parcel trajectory model. The distinct upper-troposphere dust belt over the northern hemisphere has seasonally varying base and top heights of 3.65 ± 2.84 and 8.35 ± 1.50 km above mean sea level and its column loading is strongest during spring (March-April-May). The out-of-phase annual cycles of mid-level dust concentration and westerly wind over source regions control the seasonal upper-tropospheric dust loading variations. African deserts contribute the most (46.3%) to the upper-troposphere dust belt in spring and the synoptic trough is the leading (49%) dust lifting mechanism.
An electrochemical paper-based analytical sensor for one-step latex protein detection
Authors: Mettakoonpitak Jaruwan , Junkong Preeyanuch , Saenonphut Aphiwan , Kwamman Tanagorn , Siripinyanond Atitaya , Henry Charles S.
Published: February 2022

A proposed simple electrochemical paper-based analytical sensor offered one-step latex protein detection by measuring remaining copper after online protein complexation
Monitoring the chemical changes in fingermark residue over time using synchrotron infrared spectroscopy
Authors: Boseley Rhiannon E. , Vongsvivut Jitraporn , Appadoo Dominique , Hackett Mark J. , Lewis Simon W.
Published: February 2022

Using synchrotron sourced ATR-FTIR microspectroscopy and THz/Far-IR gas phase spectroscopy to monitor the chemical changes in fingermark residues in the immediate hours following deposition.
Fast, sensitive and selective simultaneous determination of paraquat and glyphosate herbicides in water samples using a compact electrochemical sensor
Authors: Thimoonnee Suphatsorn , Somnet Kanpitcha , Ngaosri Pattanun , Chairam Sanoe , Karuwan Chanpen , Kamsong Wichayaporn , Tuantranont Adisorn , Amatatongchai Maliwan
Published: February 2022

We report a new ready-to-use sensor for simultaneous determination of paraquat (PQ) and glyphosate (GLY) based on a graphite screen-printed electrode modified with a dual-molecularly imprinted polymer coated on a mesoporous silica-platinum core.
Environment-friendly degradable zinc-ion battery based on guar gum-cellulose aerogel electrolyte
Authors: Xu Ran , Zhou Junjie , Gong Hongyu , Qiao Li , Li Yuguo , Li Dongwei , Gao Meng , Xu Guanchen , Wang Meng , Liang Xiu , Zhang Xingshuang , Luo Mingfu , Qiu Hongbo , Liang Kang , Li Yong
Published: February 2022

A degradable zinc-ion battery based on hierarchical guar gum-cellulose aerogel electrolyte.
Evidencing the formation of Pt nano-islands on Cr2O3/Ag(111)
Authors: Kilian Alex Sandre , Abreu Guilherme Jean , de Siervo Abner , Landers Richard , Morais Jonder
Published: February 2022

The present work reports on a comprehensive surface atomic structure investigation on a Pt/Cr2O3/Ag(111) model catalyst.
Template-free synthesis of Mn2+ doped hierarchical CuS yolk–shell microspheres for photocatalytic reduction of Cr(vi)
Authors: Sun Yanmin , Tan Rui , Jin Zhouzheng , Zhang Yiming , Li Xiaoyun , Cai Qi , Nan Jun , Liu Dan , Yu Haibin , Gui Jianzhou
Published: February 2022

One-step template-free solvothermal synthesis of yolk–shell structured Mn-CuS composite, as a good photocatalyst with enhanced photon absorption efficiency and promoted photoinduced charge carrier separation, is studied.
PEG functionalization effect of silicate-containing hydroxyapatite particles on effective collagen fibrillation with hydration layer state change
Authors: Yamada Shota , Chai Yadong , Tagaya Motohiro
Published: February 2022

Silicate-containing hydroxyapatite particles were functionalized by PEG for clarifying the effect of the hydration layer on collagen fibrillation suggesting that the asymmetric bonding state of free water molecules in the hydration layer affected the fibrillation degree.
Activity-based NIR fluorescent probes based on the versatile hemicyanine scaffold: design strategy, biomedical applications, and outlook
Authors: Li Haidong , Kim Heejeong , Xu Feng , Han Jingjing , Yao Qichao , Wang Jingyun , Pu Kanyi , Peng Xiaojun , Yoon Juyoung
Published: February 2022

In this review, we summarize the recent progress of activity-based NIR fluorescent probes based on the versatile hemicyanine scaffold for detection, bioimaging, and diagnosis and therapy of diseases.
High-throughput screening and literature data-driven machine learning-assisted investigation of multi-component La2O3-based catalysts for the oxidative coupling of methane
Authors: Nishimura Shun , Le Son Dinh , Miyazato Itsuki , Fujima Jun , Taniike Toshiaki , Ohyama Junya , Takahashi Keisuke
Published: February 2022

Unique 30 types of multi-component La2O3-based catalysts for oxidative coupling of methane were discovered in 75 types of selected catalysts based on high-throughput screening and literature datasets with multi-output machine learning approaches.
ZIF-derived metal/N-doped porous carbon nanocomposites: efficient catalysts for organic transformations
Authors: Su Tian-Yue , Lu Guo-Ping , Sun Kang-Kang , Zhang Min , Cai Chun
Published: February 2022

ZIF-derived metal/N-doped porous carbon have emerged as efficient heterogeneous catalysts in organic reactions, due to controllable 3D structure, uniformly dispersed metal sites, tunable metal–support interactions and superior catalytic performance.
Biosolids leachate variability, stabilization surrogates, and optical metric selection
Authors: Fischer Sarah J. , Gonsior Michael , Chorover Jon , Powers Leanne C. , Hamilton Amanda , Ramirez Mark , Torrents Alba
Published: February 2022

Sludge and biosolids organic matter (OM) are increasingly assessed via optical measurements of associated leachates – especially at pilot and bench scales.
Bioactive triple peptide inhibits inflammasome activation to alleviate Salmonella-induced intestinal inflammation in mice via modulation of host defense and bacterial virulence
Authors: Cui Chenbin , Liu Qi , Duan Bingbing , Liu Xiangchen , Wei Hongkui , Peng Jian
Published: February 2022

Bioactive tripeptide inhibits inflammasome activation to alleviate S. typhimurium-induced inflammation via inhibiting the motility, adhesion, invasion and virulence gene expression of S. typhimurium.
NHC–palladium-catalyzed ionic liquid-accelerated regioselective oxyarylation of alkynes with diaryl ethers
Authors: Li Jianxiao , He Dan , Lin Zidong , Cen Liying , Wu Wanqing , Jiang Huanfeng
Published: February 2022

A palladium-catalyzed regioselective oxyarylation of oxime ether with diaryl ethers in a task-specific ionic liquid as an environmentally benign medium was accomplished.
Visible-light-induced dehydrogenative sulfonylation of tertiary amines under transition-metal- and photocatalyst-free conditions
Authors: Tong Jinwen , Li Heng , Zhu Yan , Liu Ping , Sun Peipei
Published: February 2022

A dehydrogenative sulfonylation of tertiary amines with thiosulfonates under visible-light is developed. This allows for the construction of (a)cyclic β-sulfonyl enamines under transition-metal-free, external oxidant-free, photocatalyst-free and mild reaction conditions.
Determination of the zirconium isotopic composition of the new isotopic standard NRC ZIRC-1 using MC-ICP-MS
Authors: Tian Shengyu , Moynier Frederic , Inglis Edward C. , Jensen Ninna K. , Deng Zhengbin , Schiller Martin , Bizzarro Martin
Published: February 2022

First cross-calibration of all existing Zr isotopic standards and two certified reference materials to a new commercially available standard NRC ZIRC-1, and the first report of the Zr isotopic composition of Allende chondrite.
A computational and experimental investigation of deep-blue light-emitting tetraaryl-benzobis[1,2-d:4,5-d′]oxazoles
Authors: Wheeler D. , Tannir S. , Smith E. , Tomlinson A. , Jeffries-EL M.
Published: February 2022

In an effort to design deep-blue light emitting materials for use in OLEDs, the optical and electronic properties of a series of tetraarylbenzobis[1,2-d:4,5-d′]oxazole (BBO) cruciforms were evaluated using density functional theory (DFT) and time-dependent DFT (TD-DFT).
Exploring steric and electronic parameters of biaryl phosphacycles
Authors: Lamola Jairus L. , Adeyinka Adedapo S. , Malan Frederick P. , Moshapo Paseka T. , Holzapfel Cedric W. , Maumela Munaka Christopher
Published: February 2022

Steric and electronic parameters of the newly developed biaryl phosphacycles derived from the phobane[3.3.1] (Phob) and phosphatrioxa-adamantane (Cg) moieties were quantified from various experimental and theoretical methods.
Growth of wafer-scale graphene–hexagonal boron nitride vertical heterostructures with clear interfaces for obtaining atomically thin electrical analogs
Authors: Yang Huihui , Wang Gang , Guo Yanming , Wang Lifeng , Tan Biying , Zhang Shichao , Zhang Xin , Zhang Jia , Shuai Yong , Lin Junhao , Jia Dechang , Hu PingAn
Published: February 2022

Wafer-scale vertical hexagonal boron nitride/graphene heterostructures with clear interfaces are realized via a two-step metallic alloy assisted epitaxial growth method.
Zero power infrared sensing in 2D/3D-assembled heterogeneous graphene/In/InSe/Au
Authors: Jang Hanbyeol , Song Yumin , Seok Yongwook , Im Heungsoon , Kim Tae Hyung , Lee Joo-Hyoung , Kim Yong-Hoon , Lee Kayoung
Published: February 2022

The self-powered infrared sensors show outstanding performance, achieving a photoresponsivity of ∼8.5 A W−1 and a detectivity of ∼1012 Jones.
A review on bio-electro-Fenton systems as environmentally friendly methods for degradation of environmental organic pollutants in wastewater
Authors: Soltani Fatemeh , Navidjouy Nahid , Rahimnejad Mostafa
Published: February 2022

Bio-electro-Fenton system is a promising technology for the environmental organic pollutants degradation and bioelectricity generation.
Polymer microgels for the stabilization of gold nanoparticles and their application in the catalytic reduction of nitroarenes in aqueous media
Authors: Arif Muhammad , Shahid Muhammad , Irfan Ahmad , Nisar Jan , Wu Weitai , Farooqi Zahoor H. , Begum Robina
Published: February 2022

A core–shell microgel system was synthesized and used as a micro-reactor for the synthesis of gold nanoparticles. The resulting hybrid system has the ability to catalyze the reduction of various nitroarenes in aqueous media.
Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates
Authors: Carboni Filippo , Kitowski Annabel , Sorieul Charlotte , Veggi Daniele , Marques Marta C. , Oldrini Davide , Balducci Evita , Brogioni Barbara , Del Bino Linda , Corrado Alessio , Angiolini Francesca , Dello Iacono Lucia , Margarit Immaculada , Romano Maria Rosaria , Bernardes Gonçalo J. L. , Adamo Roberto
Published: February 2022

The introduction of glycoconjugate vaccines marks an important point in the fight against various infectious diseases.
Computationally driven discovery of SARS-CoV-2 Mproinhibitors: from design to experimental validation
Authors: El Khoury Léa , Jing Zhifeng , Cuzzolin Alberto , Deplano Alessandro , Loco Daniele , Sattarov Boris , Hédin Florent , Wendeborn Sebastian , Ho Chris , El Ahdab Dina , Jaffrelot Inizan Theo , Sturlese Mattia , Sosic Alice , Volpiana Martina , Lugato Angela , Barone Marco , Gatto Barbara , Macchia Maria Ludovica , Bellanda Massimo , Battistutta Roberto , Salata Cristiano , Kondratov Ivan , Iminov Rustam , Khairulin Andrii , Mykhalonok Yaroslav , Pochepko Anton , Chashka-Ratushnyi Volodymyr , Kos Iaroslava , Moro Stefano , Montes Matthieu , Ren Pengyu , Ponder Jay W. , Lagardère Louis , Piquemal Jean-Philip , Sabbadin Davide
Published: February 2022

The dominant binding mode of the QUB-00006-Int-07 main protease inhibitor during absolute binding free energy simulations.
Atropoenantioselective palladaelectro-catalyzed anilide C–H olefinations viable with natural sunlight as sustainable power source
Authors: Frey Johanna , Hou Xiaoyan , Ackermann Lutz
Published: February 2022

Asymmetric pallada-electrocatalyzed C–H activation of achiral anilides were accomplished by catalyst control with high levels of enantioselectivity. Dual catalysis was devised, while photovoltaic cells could be used to empower the electrocatalysis.
Electrooxidative palladium- and enantioselective rhodium-catalyzed [3 + 2] spiroannulations
Authors: Wei Wen , Scheremetjew Alexej , Ackermann Lutz
Published: February 2022

Despite indisputable progress in the development of electrochemical transformations, electrocatalytic annulations for the synthesis of biologically relevant three-dimensional spirocyclic compounds has as of yet not been accomplished.
Synthesis of flower-like manganese oxide for accelerated surface redox reactions on nitrogen-rich graphene of fast charge transport for sustainable aqueous energy storage
Authors: Lim Jong Hyeong , Won Jong Ho , Kim Mun Kyoung , Jung Dae Soo , Kim Minkyung , Park Chulhwan , Koo Sang-Mo , Oh Jong-Min , Jeong Hyung Mo , Sohn Hiesang , Shin Weon Ho
Published: February 2022

The demand for a sustainable energy storage system with high specific power and long cycle life, particularly using an environmentally friendly aqueous electrolyte to eliminate the risk of explosion, is rapidly growing.
Layer-by-layer construction of in situ formed polypyrrole and bacterial cells as capacitive bioanodes for paper-based microbial fuel cells
Authors: Fang Yuyan , Yuan Baozhen , Jiang Yujing , Song Rong-Bin , Zhang Jian-Rong , Zhu Jun-Jie
Published: February 2022

An alternate polypyrrole/bacteria capacitive bioanode was developed for supercapacitive paper-based microbial fuel cells, in which the polypyrrole layers improved the electron transfer efficiency and capacitance.
Facile synthesis of superparamagnetic nickel-doped iron oxide nanoparticles as high-performance T1 contrast agents for magnetic resonance imaging
Authors: Lu Chichong , Xu Xue , Zhang Tingting , Wang Zhijie , Chai Yuyun
Published: February 2022

Nickel doping transformed iron oxide from a traditional T2 contrast agent to a T1 contrast agent, and nickel-doped iron oxide nanoparticles (NiIO NPs) exhibited excellent contrast enhancement in both T1 and T2-weighted MRI.
Expansion of the response range of photoelectrochemical UV detector using an ITO/Ag-nanowire/quartz UV-visible transparent conductive electrode
Authors: Wang Youqing , Li Baoping , Ren Peiling , Liu Menghan , Gong Zilin , Zhang Miaomiao , Zhao Hao , Zhang Yu , Zhang Yanqing , Liu Jianke
Published: February 2022

The response range of photoelectrochemical UV detector is expanded from 300–400 nm to 220–400 nm.
Origin of the concentration-dependent effects of N on the stability and electrical resistivity in polycrystalline Ge1Sb2Te4
Authors: Wang Bing , Wang Guanjie , Zhu Linggang , Zhou Jian , Sun Zhimei
Published: February 2022

The concentration-sensitive nitrogen-doping effects on both the stability and electrical resistivity of GST124 are understood through various configurations of N dopants.
Exosome-based delivery nanoplatforms: next-generation theranostic platforms for breast cancer
Authors: Zheng Yanan , Li Mei , Weng Bowen , Mao Haijiao , Zhao Jiyuan
Published: February 2022

Inherent benefits of natural exosomes combining advanced nanotechnologies promote the efficiency and precision of drug delivery for breast cancer therapy.
Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes
Authors: Saab Marina , Nelson David J. , Leech Matthew C. , Lam Kevin , Nolan Steven P. , Nahra Fady , Van Hecke Kristof
Published: February 2022

The reactions of chalcogenoureas derived from N-heterocyclic carbenes, with halogens are investigated. These lead to a diverse range of adducts. This information was used to extrapolate a structure/activity relationship and to explain the observed trends.
1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers
Authors: Brehm Philipp C. , Müller-Feyen Anne S. , Schnakenburg Gregor , Streubel Rainer
Published: February 2022

P-OTEMP 1,3,2-heterophospholane tungsten complexes with different thermal stabilities were used to generate transient phosphanoxyl complexes which allow for a first-time radical polymerisation of acrylonitrile based on this methodology.
Layered FeCoNi double hydroxides with tailored surface electronic configurations induced by oxygen and unsaturated metal vacancies for boosting the overall water splitting process
Authors: Zhai Zibo , Yan Wei , Zhang Jiujun
Published: February 2022

The FeCoNi LDH synthesized through F pre-covering and post-boronizing strategy has full oxygen vacancies and unsaturated metal sites shows high HER/OER catalytic activities. The actual active sites and detailed catalytic mechanisms are analyzed.
Electrical and chemical properties of vacancy-ordered lead free layered double perovskite nanoparticles
Authors: Sawahreh Amal , Binyamin Tal , Jiang Jie , Millo Oded , Goldberg Oren , Azulay Doron , Pachter Ruth , Etgar Lioz
Published: February 2022

In this work we synthesized and investigated the properties of vacancy-ordered lead-free layered double perovskite (LDP) nanoparticles.
High efficiency step‐up DC–DC converter for grid‐connected photovoltaic microinverter applications
Authors: Zhang Zhi , Zheng Liupeng , Zhu Zuhong , Hu Bihua , Tang Xiao , Zhang Zhaoyun
Published: February 2022

This paper presents a resonant step‐up DC–DC converter for the photovoltaic micro‐inverter system and describes the converter's operation principle in detail. In the proposed converter, the active‐clamp technique is used to reduce the high voltage spike of the main power switch during its turns‐off. Meanwhile, the output rectifier diodes can operate in the zero‐current‐switching (ZCS) operation and the clamping power switch can operate in zero‐voltage‐switching (ZVS) condition with the series LC resonant circuit. Then, the design procedure for the key components of the proposed DC–DC converter is derived. Finally, experimental prototype with 300 W is established to verify the validity of the proposed topology, and the experimental results shows that the proposed topology processes the merits of few components, simple control, galvanic isolation and high conversion efficiency in a wide photovoltaic voltage input and power range.
Characterization of the Gamma-ray Emission from the Kepler Supernova Remnant with Fermi-LAT
Authors: Acero F. , Lemoine-Goumard M. , Ballet J.
Published: February 2022

The Kepler supernova remnant (SNR) had been the only historic SNR that lacked a detection at GeV and TeV energies, which probe particle acceleration. A recent analysis of Fermi-LAT data reported a likely GeV γ-ray candidate in the direction of the SNR. Using approximately the same data set but with an optimized analysis configuration, we confirm the γ-ray candidate to a solid >6σ detection and report a spectral index of 2.14 ± 0.12stat ± 0.15syst for an energy flux above 100 MeV of (3.1 ± 0.6stat ± 0.3syst) × 10−12 erg cm−2 s−1. The γ-ray excess is not significantly extended and is fully compatible with the radio, infrared, and X-ray spatial distribution of the SNR. We successfully characterized this multiwavelength emission with a model in which accelerated particles interact with the dense circumstellar material in the northwest portion of the SNR and radiate GeV γ rays through π° decay. The X-ray synchrotron and inverse-Compton emission mostly stem from the fast shocks in the southern regions with a magnetic field B ~ 100 μG or higher. Depending on the exact magnetic field amplitude, the TeV γ-ray emission could arise from either the south region (inverse-Compton dominated) or the interaction region (π° decay dominated).
Predicting Students’ Intentions to Create Green Start-ups: A Theory of Planned Behaviour Approach
Authors: Bouarar Ahmed Chemseddine , Mouloudj Smail , Makhlouf Asma , Mouloudj Kamel
Published: February 2022

Start-ups play a fundamental role in the economy and have contributed enormously and effectively to solving economic and social issues. However, despite the significant environmental hazards the world is experiencing, the environmental dimension of its contribution is still significantly low, and the transition to green start-ups is still in its infancy especially in developing countries. The aim of the paper is to identify the factors that influence students’ intentions to create green start-ups. Based on a convenience sample of 248 university students, a multiple regression analysis was performed to test our extended model. The empirical findings show that attitudes, subjective norms, perceived behavioural control (PBC), and environmental awareness positively influence the intention to create green start-ups. In addition, the findings demonstrate that students have a low level of environmental awareness. Based on the results, suggestions are provided on how to motivate university graduates to create green start-ups.
Factors in the Development of Entrepreneurial Competencies
Authors: Pesha Anastasiya
Published: February 2022

Entrepreneurship is one of the main factors of economic growth, which ensures sustainable development of countries. Educational institutions and corporate universities develop programmes to develop entrepreneurial competencies of students and employees. Companies are introducing new functional divisions whose activities are related to revealing internal entrepreneurial competencies. This paper provides a systematic review of research in order to analyse the factors affecting the development of student and employee entrepreneurial competencies. Analysis of global, national, intra-organizational and personal factors in the development of entrepreneurial competencies makes it possible to form the most flexible and risk-resistant system of teaching entrepreneurship in universities and organizations.
Reputation Management in Times of the Pandemic - Empirical Analysis of Selected Health Care Providers Operating in the Slovak Market
Authors: Pollak Frantisek , Markovic Peter , Malinak Bozka , Belovodska Katarina
Published: February 2022

The issue of corporate reputation management is one of the key areas in the process of building trust between the supply and demand side of the market. The services sector, which, as a rule, works predominantly with intangible products, is particularly vulnerable to reputational damage. The presented study aims to examine the impact of the COVID-19 pandemic on the overall level of reputation of eleven Slovak teaching hospitals. The data sources used in the form of publicly available databases cover both the traditional factors of the brick-and-mortar market, as well as the factors related to the virtual Internet environment. The results of the analysis point to the fact that while the traditional level of reputation of the entities reflected changes in the market only to a relatively limited extent, the level of the online reputation of the analysed entities decreased significantly due to the pandemic. This finding underscores the fact about the fragility of reputation in the Internet environment. By comparing individual reputational factors in the pre-pandemic period with the situation during the peak of the third wave of the pandemic, the study offers a relatively compact knowledge base for formulating basic transformations for comprehensive research into the impact of a pandemic on corporate competitiveness.
Développement et validation préliminaire du questionnaire d’orientation régulatrice en sport : le QORS
Authors: Debanne Thierry
Published: February 2022

La Théorie de l’Orientation Régulatrice (TOR ; Higgins, E.T. (1997). Beyond pleasure and pain. American Psychologist, 52, 1280–1300) distingue deux systèmes motivationnels qui régulent les comportements, les émotions et les pensées des personnes : l’orientation régulatrice de prévention et celle de promotion. À ce jour, il n’existe pas d’outil psychométrique de langue française adapté au contexte sportif pour évaluer ces deux construits. Cette étude a pour objet d’élaborer un tel outil à partir de la General Regulatory Focus Measure (Lockwood, P., Jordan, C.H., & Kunda, Z. (2002). Motivation by positive or negative role models: Regulatory focus determines who will best inspire us. Journal of Personality and Social Psychology, 83, 854–864). La démarche a respecté les étapes de validation transculturelle des outils psychométriques (Vallerand, R.J. (1989). Vers une méthodologie de validation trans-culturelle de questionnaires psychologiques : implications pour la recherche en langue française. Psychologie Canadienne, 30, 662–680). Cinq études ont permis d’évaluer (a) une version préliminaire, (b) sa validité concomitante, (c) sa validité de construit par l’analyse de sa structure factorielle (Analyse Factorielle Exploratoire suivie d’une Analyse Factorielle Confirmatoire [AFC]), (d) sa stabilité temporelle, et (e) sa validité prédictive par l’étude des corrélations entre les deux orientations régulatrices et différents construits (ouverture, conscienciosité, extraversion, agréabilité, neuroticisme, motivation d’approche, motivation d’évitement, et estime de soi). En accord avec la théorie, l’AFC a montré qu’un modèle a deux dimensions orthogonales était ajusté de manière satisfaisante aux données, et, globalement, les résultats attestaient des différentes validités. L’outil proposé semble être valide et utile pour les chercheurs souhaitant étudier l’orientation régulatrice d’athlètes francophones.
Reduzierter Muskelstatus und Muskelabbau bei geriatrischen Patient*innen
Authors: Graeb Fabian , Manegold Christoph , Rein Julia , Wolke Reinhold
Published: February 2022

Hintergrund Mangelernährung, schlechter Muskelstatus und dessen Folgen stellen speziell bei geriatrischen Patient*innen ein bekanntes und anhaltendes Problem dar.

Methodik Im vom BMBF geförderten Forschungsprojekt Prävention und Behandlung von Mangelernährung bei geriatrischen Patient*innen im Krankenhaus sollte anhand einer Gelegenheitsstichprobe der Ernährungs- und Muskelstatus bei einem geriatrischen Patient*innenkollektiv explorativ untersucht werden. Hierfür wurden bei Krankenhausaufnahme und kurz vor Entlassung Befragungen sowie Messungen zur Anthropometrie und Körperzusammensetzung (BIA) durchgeführt. Es konnten 102 Patient*innen ≥ 65 Jahre eingeschlossen werden, für 63 liegt eine zweite Messung vor.

Ergebnisse Bei Aufnahme weisen 62,7 % (n = 64) einen kritisch reduzierten Skelettmuskelindex (SMI) auf. Die Patient*innen mit verringertem SMI sind signifikant älter (r = – 0,323; p = 0,001), weisen schlechtere Score-Werte für den MNA-SF auf (r = – 0,312; p = 0,002), haben ein geringeres Gewicht (r = – 0,414; p < 0,001) sowie einen geringeren BMI (r = – 0,495; p < 0,001), Waden- (r = – 0,434; p < 0,001) und Oberarmumfang (r = – 0,397; p < 0,001), weniger Fettmasse (r = – 0,249; p = 0,012), Gesamtkörperwasser (r = – 0,383; p < 0,001) und einen niedrigeren Phasenwinkel (r = – 0,400; p < 0,001). Im Verlauf des Krankenhausaufenthalts kommt es zu einer signifikanten Reduktion der absoluten Muskelmasse (– 1,17 kg; p = 0,015), des Phasenwinkels (– 0,17°; p = 0,011) sowie einem steigenden Anteil extrazellulärer Flüssigkeit (+ 0,46 %; p = 0,010). 44,4 % (n = 28) verlieren ≥ 1 kg Muskelmasse, Frauen sind signifikant häufiger betroffen (55,9 %; n = 19 vs. 31 % n = 9; r = 0,249; p = 0,048).

Diskussion Viele geriatrische Patient*innen weisen bei stationärer Aufnahme einen reduzierten Ernährungs- und noch häufiger Muskelstatus auf. Interventionen müssen auf Verbesserung des Ernährungs- und Muskelstatus abzielen und dies entsprechend auch evaluieren.
Ernährungsbezogene Gruppenangebote in der medizinischen Rehabilitation: Ergebnisse einer bundesweiten Befragung
Authors: Meng Karin , Klemmt Malte , Toellner Christian , Reusch Andrea
Published: February 2022

Ziel der Studie Die ernährungsbezogenen Gruppenangebote in der medizinischen Rehabilitation werden strukturell, inhaltlich und methodisch beschrieben und der diesbezügliche Weiterentwicklungs- und Fortbildungsbedarf der Ernährungsteams erfasst.

Methodik Bundesweit wurden 546 stationäre Reha-Einrichtungen mit (psycho-)somatischen Indikationen schriftlich befragt. Der Rücklauf umfasst 192 Einrichtungen mit 202 Ernährungsteams.

Ergebnisse In 89 % der Einrichtungen versorgt ein ernährungstherapeutisches Team alle Rehabilitanden aus durchschnittlich 3,4 Indikationsgruppen (SD = 2,4). Pro Team bestehen Gruppenangebote aus M = 4,9 Leistungseinheiten (SD = 1,6). Die Gruppenangebote (n = 998; Ernährungsberatungsgruppe, Seminar, Vortrag, Schulungseinheit) sind zu 56 % indikationsübergreifend. 73 % umfassen eine Einheit, die Dauer beträgt meist bis zu 60 min (93 %). 76 % der Angebote haben eine Teilnehmerzahl von ≤ 15. Ein Manual liegt für 93 % der Angebote zumindest teilweise vor. Durchschnittlich werden 5,8 Inhaltsbereiche (SD = 1,5), 1,9 Methoden (SD = 0,8) und 1,9 Materialien (SD = 0,9) genannt. Es bestehen teilweise angebotsspezifische Unterschiede. Für die Gruppengröße und die Anzahl der Einheiten liegen kleine bis mittlere signifikante Zusammenhänge mit den didaktischen Methoden und Materialien vor. In Gruppen mit > 15 Rehabilitanden bzw. mit einer Einheit werden häufiger Vorträge, in kleineren Gruppen bzw. Gruppen mit mehreren Einheiten häufiger interaktive Methoden und Materialien eingesetzt. Für eine Weiterentwicklung werden flexibel kombinierbare Seminarbausteine hilfreicher bewertet als vollständig ausgearbeitete Konzepte. Inhaltlich werden Konzepte zur Motivierung und Unterstützung des Alltagstransfers sowie mit Bezug zu verschiedenen Lebenslagen als sehr hilfreich eingestuft. Das Fortbildungsinteresse ist hoch (M = 8,5; SD = 2,2; max. = 10), dabei wird ein Präsenzseminar präferiert. Hinsichtlich der Fortbildungsinhalte besteht das stärkste Interesse an Strategien zur Motivierung, zur Förderung des Alltagstransfers sowie zum Umgang mit schwierigen Gruppensituationen.

Schlussfolgerung In der Praxis besteht eine Vielzahl an ernährungsbezogenen Gruppenangeboten, deren Anzahl und Zusammenstellung zwischen den Teams variiert. Zur Optimierung der Versorgung erscheinen daher flexible, für verschiedene Angebote einsetzbare Bausteine sowie Fortbildungen sinnvoll, die v. a. auch die Themen Motivierung und Alltagstransfer aufgreifen.
Technische Alltagshilfen in der Rheumatologie – Was ist
sinnvoll, was ist bewiesen, welche Perspektiven gibt es?
Authors: Meyer Sara Eileen , Hoeper Juliana Rachel , Buchholz Jens , Meyer-Olson Dirk
Published: February 2022

Einschränkungen der Alltagsaktivität sind ein relevantes
gesundheitliches Problem bei Patienten mit entzündlich-rheumatischen
Systemerkrankungen. Technische Alltagshilfen nehmen in der Rehabilitation von
diesen Teilhabeeinschränkungen einen hohen Stellenwert ein. Wir
erläutern Evidenz für den Einsatz von Alltagshilfen und die
neuen Entwicklungen auf diesem Gebiet.
Variation of Secondary Metabolite Contents and Activities against Bovine Diarrheal Pathogens among Zygophyllaceae Species in Benin and Implications for Conservation
Authors: Ouachinou Jéronime Marie-Ange Sènami , Dassou Gbèwonmèdéa Hospice , Agbankpé Alidehou Jerrold , Koudoro Yaya Alain , Agbangnan Pascal , Hidalgo Triana Noelia , Favi Gnimansou Abraham , Djidohokpin Donald , Adomou Aristide Cossi
Published: February 2022

Balanites aegyptiaca is a wild plant species largely used in folk medicine and a priority fruit tree in West Africa. In Benin, its overexploitation for ethnoveterinary uses could lead to its rarity or extinction in the long term. In this study, we evaluate the possibilities of its substitution by other Zygophyllaceae species. This study was based on optimal defense theory, which distinguished 2 categories of plants: K-strategist species and r-strategist species. Phytochemical screening was carried out based on aqueous extracts of the leafy stems of B. aegyptiaca and Guaiacum officinale (K-strategist species) and Tribulus terrestris and Kallstroemia pubescens (r-strategist species) for the identification of chemical compounds. The phenolic compounds were quantified by quercetin and vanillin methods. The extracts were tested against 5 bacterial strains responsible for severe diarrhea in bovines. Our results indicated the presence of many phytochemicals, such as alkaloids, flavonoids, saponosides, and tannins. The diversity in secondary metabolites is higher for r-strategist than K-strategist species. The contents of total polyphenols ranged from 4.82 ± 0.05 to 41.84 mg GAE/g of extract. The flavonoid contents varied from 30.64 ± 0.35 to 57.11 ± 0.13 mg QE/g of extract and those of the tannins from 0.04 ± 0.00 to 0.06 ± 0.01 mg PE/mL. The sensitivity of the bacterial strains showed a significant dependence on the extracts. Of the species, K. pubescens showed a bactericidal activity on the majority of strains tested and thus could be a potential substitute for B. aegyptiaca in the treatment of infectious diarrhea.
Cinchona Alkaloid Catalyzed Dynamic Kinetic Resolution of Biaryl Aldehydes via Asymmetric Decarboxylative Transamination
Authors: Wang Jian , Guo Donghui
Published: February 2022

An unprecedented Cinchona alkaloid catalyzed atropoenantioselective transamination of biaryl aldehydes with 2,2-diphenylglycine via a cascade decarboxylation and dynamic kinetic resolution strategy is described. This protocol features broad substrate scope and good functional group tolerance and allows the rapid assembly of axially chiral biaryls in high yields with acceptable to good enantioselectivities. In addition, such structural motifs may have potential applications in enantioselective catalysis as chiral ligands or catalysts.
Nickel-Catalyzed Reductive Cross-Coupling of Oxalates Derived from α-Hydroxy Carbonyls with Vinyl Bromides
Authors: Wu Fan , Ye Cheng , Tong Weiqi
Published: February 2022

A nickel-catalyzed cross-electrophile coupling is disclosed in which a range of vinyl bromides were utilized as electrophiles with oxalates derived from α-hydroxy carbonyls as precursors to carbonyl radical coupling partners. This method is compatible with a broad range of functional groups, providing a complementary solution for the construction of β,γ-unsaturated carbonyl compounds.