bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of the need for soil moisture, salinity and temperature sensing in agriculture: a case study in Poland
Authors: Gałęzewski Lech , Jaskulska Iwona , Jaskulski Dariusz , Lewandowski Arkadiusz , Szypłowska Agnieszka , Wilczek Andrzej , Szczepańczyk Maciej
Published: August 2021

Efficient use of scarce water resources is both a marketing objective and an environmental obligation for sustainable agriculture. In modern agricultural production, which is intensive and should at the same time be environmentally friendly, there is a need to monitor soil moisture, salinity and temperature. The aim of the study was to determine the demand of producers of agricultural and horticultural plants for equipment and systems for monitoring soil properties at an individual farm level in regions with highly developed agriculture. A questionnaire survey was conducted among 1087 respondents, also direct interviews in Poland were undertaken. According to the producers' responses, it is important to know soil moisture, salinity and temperature, although currently only about 4% of the surveyed farmers have the equipment to evaluate these soil parameters. In their view cost is not the most important obstacle to the purchase of the necessary probes. More important is that the devices should be easy to install and use, and have an easy to use application for data collection, processing and transfer. The current market does not offer solutions that meet these producers expectations. The demand for suitable probes is very high as over 80% of the farmers declared their willingness to purchase such probes. Technical problems related to the operation and servicing of such equipment were the most frequently mentioned impediments in their use. However, farmers and horticulturists believe that knowledge of their soil properties would allow them to optimize the elements of cultivation technology, including the use of plant irrigation systems, the use of mineral fertilizers and plant protection products.
Handheld versus mounted laser speckle contrast perfusion imaging demonstrated in psoriasis lesions
Authors: Chizari Ata , Schaap Mirjam J. , Knop Tom , Boink Yoeri E. , Seyger Marieke M. B. , Steenbergen Wiendelt
Published: August 2021

Enabling handheld perfusion imaging would drastically improve the feasibility of perfusion imaging in clinical practice. Therefore, we examine the performance of handheld laser speckle contrast imaging (LSCI) measurements compared to mounted measurements, demonstrated in psoriatic skin. A pipeline is introduced to process, analyze and compare data of 11 measurement pairs (mounted-handheld LSCI modes) operated on 5 patients and various skin locations. The on-surface speeds (i.e. speed of light beam movements on the surface) are quantified employing mean separation (MS) segmentation and enhanced correlation coefficient maximization (ECC). The average on-surface speeds are found to be 8.5 times greater in handheld mode compared to mounted mode. Frame alignment sharpens temporally averaged perfusion maps, especially in the handheld case. The results show that after proper post-processing, the handheld measurements are in agreement with the corresponding mounted measurements on a visual basis. The absolute movement-induced difference between mounted-handheld pairs after the background correction is $$16.4\pm 9.3~\%$$

16.4
±
9.3

%

(mean ± std, $$n=11$$

n
=
11

), with an absolute median difference of $$23.8\%$$

23.8
%

. Realization of handheld LSCI facilitates measurements on a wide range of skin areas bringing more convenience for both patients and medical staff.
Anatomical evaluation of the transpubic screw corridor based on a 3D statistical model of the pelvic ring
Authors: Arand Charlotte , Wagner Daniel , Richards Robert Geoff , Noser Hansrudi , Kamer Lukas , Gehweiler Dominic , Hopf Johannes , Rommens Pol M.
Published: August 2021

Retrograde transpubic screw fixation is a common procedure for the treatment of anterior pelvic ring fractures. With its sparing surgical approach and significant pain relief after screw fixations allowing early mobilisation, it has gained importance especially in the treatment of insufficiency fractures in elderly patients. However, positioning of transpubic screw osteosynthesis is not always possible due to narrowness and curvature of the screw corridor. The aim of the present study was to evaluate availability and length of the screw corridor using a 3D statistical model of the pelvic ring consisting out of 150 uninjured pelves. Virtual bore probes with a diameter of 7.5 mm were analysed as to accessibility, length and grey value distribution in Hounsfield Unit (HU). A transpubic corridor with a diameter of ≥ 7.5 mm was available in 185 of 300 investigated superior pubic rami with mean screw length of 131.7 mm. Accessibility of the screw corridor was higher in males than in females. However, screw length showed no systematic differences between the sexes or ethnicities. Analysis of the grey value distribution demonstrated the strongest bone to be located at the lateral ilium and the supraacetabular region.
A comparative study for tension-reducing effect of Type I and Type II keystone perforator island flap in the human back
Authors: Yoon Chi Sun , Kong Yu Taek , Lim Soo Yeon , Kim Junekyu , Shin Hyun Woo , Kim Kyu Nam
Published: August 2021

The keystone perforator island flap (KPIF) is popular in reconstructive surgery. However, despite its versatility, its biomechanical effectiveness is unclear. We present our experience of KPIF reconstruction in the human back and evaluate the tension-reducing effect of the KPIF. Between September 2019 and August 2020, 17 patients (51.82 ± 14.72 years) underwent KPIF reconstruction for back defects. In all cases, we measured wound tension at the defect and donor sites before and after KPIF reconstruction using a tensiometer. All defects occurred after complete excision of complicated epidermoid cysts and debridement of surrounding tissues. The defects were successfully covered with Type IIA KPIFs. All flaps survived, and there were no significant postoperative complications. The mean “tension change at the defect after Type I KPIF” and “tension change at the defect after Type II KPIF” were − 2.97 ± 0.22 N and − 5.59 ± 0.41 N, respectively, (P < 0.001). The mean “rate of tension change at the defect after Type I KPIF” and “rate of tension change at the defect after Type II KPIF” were − 36.54 ± 1.89% and − 67.98 ± 1.63%, respectively, (P < 0.001). Our findings confirm the stepwise tension-reducing effect of KPIF and clarify the biomechanics of this flap.
A method to dynamically constrain black carbon aerosol sources with online monitored potassium
Authors: Zheng Huang , Kong Shaofei , Chen Nan , Fan Zewei , Zhang Ying , Yao Liquan , Cheng Yi , Zheng Shurui , Yan Yingying , Liu Dantong , Zhao Delong , Liu Chao , Zhao Tianliang , Guo Jianping , Qi Shihua
Published: August 2021

The result of Aethalometer model to black carbon (BC) source apportionment is highly determined by the absorption Ångström exponent (α) of aerosols from fossil fuel combustion (αff) and wood burning (αwb). A method using hourly measured potassium to calculate the αff and αwb values was developed in this study. Results showed that the optimal αff and αwb were 1.09 and 1.79 for the whole dataset. The optimal α values in the diurnal resolution were also calculated with αff and αwb varied in 1.02 –1.19 and 1.71–1.90, respectively. Using the dynamic α values, the Pearson correlation coefficient between BC and potassium from wood burning substantially improved compared to the results derived from the fixed α values. The method developed in this study is expected to provide more reasonable BC source identification results, which are helpful for air quality, climate, and human health modeling studies.
Detecting alternative attractors in ecosystem dynamics
Authors: Säterberg Torbjörn , McCann Kevin
Published: August 2021

Dynamical systems theory suggests that ecosystems may exhibit alternative dynamical attractors. Such alternative attractors, as for example equilibria and cycles, have been found in the dynamics of experimental systems. Yet, for natural systems, where multiple biotic and abiotic factors simultaneously affect population dynamics, it is more challenging to distinguish alternative dynamical behaviors. Although recent research exemplifies that some natural systems can exhibit alternative states, a robust methodology for testing whether these constitute distinct dynamical attractors is currently lacking. Here, using attractor reconstruction techniques we develop such a test. Applications of the methodology to simulated, experimental and natural time series data, reveal that alternative dynamical behaviors are hard to distinguish if population dynamics are governed by purely stochastic processes. However, if population dynamics are brought about also by mechanisms internal to the system, alternative attractors can readily be detected. Since many natural populations display evidence of such internally driven dynamics, our approach offers a method for empirically testing whether ecosystems exhibit alternative dynamical attractors.
Integrated multi-omics analysis of RB-loss identifies widespread cellular programming and synthetic weaknesses
Authors: Rajasekaran Swetha , Siddiqui Jalal , Rakijas Jessica , Nicolay Brandon , Lin Chenyu , Khan Eshan , Patel Rahi , Morris Robert , Wyler Emanuel , Boukhali Myriam , Balasubramanyam Jayashree , Ranjith Kumar R. , Van Rechem Capucine , Vogel Christine , Elchuri Sailaja V. , Landthaler Markus , Obermayer Benedikt , Haas Wilhelm , Dyson Nicholas , Miles Wayne
Published: August 2021

Inactivation of RB is one of the hallmarks of cancer, however gaps remain in our understanding of how RB-loss changes human cells. Here we show that pRB-depletion results in cellular reprogramming, we quantitatively measured how RB-depletion altered the transcriptional, proteomic and metabolic output of non-tumorigenic RPE1 human cells. These profiles identified widespread changes in metabolic and cell stress response factors previously linked to E2F function. In addition, we find a number of additional pathways that are sensitive to RB-depletion that are not E2F-regulated that may represent compensatory mechanisms to support the growth of RB-depleted cells. To determine whether these molecular changes are also present in RB1−/− tumors, we compared these results to Retinoblastoma and Small Cell Lung Cancer data, and identified widespread conservation of alterations found in RPE1 cells. To define which of these changes contribute to the growth of cells with de-regulated E2F activity, we assayed how inhibiting or depleting these proteins affected the growth of RB1−/− cells and of Drosophila E2f1-RNAi models in vivo. From this analysis, we identify key metabolic pathways that are essential for the growth of pRB-deleted human cells.
Trends in the Diels–Alder reaction in polymer chemistry
Authors: Briou Benoit , Améduri Bruno , Boutevin Bernard
Published: August 2021

The Diels–Alder (DA) reaction is regarded as quite a useful strategy in organic and macromolecular syntheses.
Facilitated magnesium atom adsorption and surface diffusion kinetics via artificial bismuth-based interphases
Authors: Chu Honghao , Zhang Zhonghua , Song Zihao , Du Aobing , Dong Shanmu , Li Guicun , Cui Guanglei
Published: August 2021

Bismuth-based artificial interphases facilitate magnesium atom adsorption and fast surface diffusion, dramatically improving the magnesium stripping/plating kinetics for rechargeable magnesium batteries.
Crystal structures capture multiple stoichiometric states of an aqueous self-assembling oligourea foldamer
Authors: Collie Gavin W. , Lombardo Caterina M. , Yoo Sung Hyun , Pułka-Ziach Karolina , Gabelica Valérie , Mackereth Cameron D. , Rosu Frédéric , Guichard Gilles
Published: August 2021

We describe here an oligourea foldamer able to self-assemble in aqueous conditions into helix bundles of multiple stoichiometries, with accompanying crystal structures providing high-resolution details of the structural polymorphism of this foldamer.
Epitaxial nanotwinned metals and alloys: synthesis-twin structure–property relations
Authors: Li Qiang , Xue Sichuang , Fan Cuncai , Richter Nicholas A. , Zhang Yifan , Chen Youxing , Wang Haiyan , Zhang Xinghang
Published: August 2021

Recent works of epitaxial nanotwinned metals and alloys with different stacking fault energies are reviewed to elaborate the relationship among synthesis conditions, intrinsic factors, twin structure and various properties.
Improving the theoretical description of Ln(iii)/An(iii) separation with phosphinic acid ligands: a benchmarking study of structure and selectivity
Authors: Chapleski Robert C. , Ivanov Alexander S. , Peterson Kirk A. , Bryantsev Vyacheslav S.
Published: August 2021

Density functionals with high exact exchange (EHFX ≥ 50%) show the best agreement with CCSD(T)-DKH2 Am(iii)/Eu(iii) selectivities and MP2-DKH2 distances.
The n-type and p-type conductivity mechanisms of the bulk BiOCl photocatalyst from hybrid density functional theory calculations
Authors: Kong Bo , Zeng Tixian , Wang Wentao
Published: August 2021

BiOCl presents intrinsic p-type conductivity, which primarily originates from the dominant antisite point defect OCl, while the n-type conductivity mainly arises from the dominant Cl vacancy defect VCl.
Oxo-sulfido molybdenum and tungsten fluorides with M–O and M–S multiple bonds
Authors: Wei Rui , Hu Jingwen , Chen Xiuting , Gong Yu
Published: August 2021

Oxo-sulfido molybdenum/tungsten difluorides in the form of Mo(O)(S)F2 and W(O)(S)F2 with multiple Mo/W–O and Mo/W–S bonds were prepared in cryogenic matrices via the reactions of laser-ablated metal atoms and SOF2.
The manner and extent to which the hydration shell impacts interactions between hydrated species
Authors: Jiang Jinyang , Guo Le , Tang Luping , Zhang Yu
Published: August 2021

The hydration shell (HS) has a critical impact on every contact between hydrated species, which is a prerequisite for a great many physical and chemical processes, such as ion adsorption at the solution–solid interface.
Catalytic three-component dicarbofunctionalization reactions involving radical capture by nickel
Authors: Zhu Shengqing , Zhao Xian , Li Huan , Chu Lingling
Published: August 2021

In this review, we summarize the recent advances in the area of catalytic dicarbofunctionalization of unsaturated π bonds by underpinning the catalytic domino transformations involving radical capture by nickel.
Ruthenium-catalysed domino hydroformylation–hydrogenation–esterification of olefins
Authors: Dühren Ricarda , Kucmierczyk Peter , Schneider Carolin , Jackstell Ralf , Franke Robert , Beller Matthias
Published: August 2021

Aliphatic esters are made easily from acetic acid, olefins, and synthesis gas. In the presence of ruthenium–phosphine complexes novel domino-hydroformylation–hydrogenation–esterification proceeds in moderate to good yields.
Unusual molecular complexes of antimony fluoride dimers with acetonitrile and pyridine: structures and bonding
Authors: Davydova Elena I. , Virovets Alexander , Peresypkina Eugenia , Pomogaeva Anna V. , Lisovenko Anna S. , Timoshkin Alexey Y.
Published: August 2021

Sb2F10·AN and Sb2F6·Py are the first structurally characterized molecular complexes of antimony penta- and tri-fluoride dimers.
Catalytic gold nanostars for SERS-based detection of mercury ions (Hg2+) with inverse sensitivity
Authors: Logan Natasha , Lou-Franco Javier , Elliott Christopher , Cao Cuong
Published: August 2021

Gold nanostars (AuNSt) amalgamated with mercury ions (Hg2+) results in reduced SERS performance whilst their enzyme-mimicking capability is not deteriorated, thus providing a basis for Hg2+ detection with inverse sensitivity.
Probiotic yogurt blunts the increase of blood pressure in spontaneously hypertensive rats via remodeling of the gut microbiota
Authors: Kong Chao-Yue , Li Zhan-Ming , Mao Yu-Qin , Chen Hui-Ling , Hu Wei , Han Bing , Wang Li-Shun
Published: August 2021

Dietary intake of probiotic yogurt, which has beneficial effects on intestinal microecology, is associated with a lower incidence of hypertension.
Comparative life cycle assessment of NAD(P)H regeneration technologies
Authors: Burnett Joseph W. H. , Sun Ziying , Li Jianwei , Wang Xiaonan , Wang Xiaodong
Published: August 2021

Life cycle assessment is used to compare methods of regenerating the cofactor NAD(P)H, highlighting aspects with the largest environmental burden with the aim of directing future research.
Further characterization of SA01 and SA02 zircon reference materials for Si and Zr isotopic compositions via femtosecond laser ablation MC-ICP-MS
Authors: Huang Chao , Wang Hao , Yu Hui-Min , Feng Lan-Ping , Xie Lie-Wen , Yang Yue-Heng , Wu Shi-Tou , Xu Lei , Yang Jin-Hui
Published: August 2021

We present Si and Zr isotopic data of SA01 and SA02 zircons via multi-technique analytical methods to evaluate the suitability of the two zircon reference materials for in situ Si and Zr isotopic analysis using fs-LA-MC-ICP-MS.
Gels as emerging anti-icing materials: a mini review
Authors: Zhuo Yizhi , Chen Jianhua , Xiao Senbo , Li Tong , Wang Feng , He Jianying , Zhang Zhiliang
Published: August 2021

This review summarizes the emerging anti-icing gels and corresponding anti-icing mechanisms, and provides a future perspective.
Ti3C2TxMXene: from dispersions to multifunctional architectures for diverse applications
Authors: Usman Ken Aldren S. , Qin Si , Henderson Luke C. , Zhang Jizhen , Hegh Dylan Y. , Razal Joselito M.
Published: August 2021

This review article critically evaluates the diverse strategies used in processing MXene into functional architectures, with an assessment of how processing variables influence properties and relevant device performance metrics.
Anomalously polarised emission from a MoS2/WS2heterostructure
Authors: Mol P. Riya , Barman Prahalad Kanti , Sarma Prasad V. , Kumar Abhishek S. , Sahu Satyam , Shaijumon Manikoth M. , Kini Rajeev N.
Published: August 2021

The brightening of a dark exciton state in the MoS2layer due to doping and charge transfer from WS2to this dark state gives rise to circularly polarized emission, from a MoS2/WS2heterostructure, with helicity opposite to that of the excitation.
Significant enhancement in quantum-dot light emitting device stability via a ZnO:polyethylenimine mixture in the electron transport layer
Authors: Chung Dong Seob , Davidson-Hall Tyler , Yu Hyeonghwa , Samaeifar Fatemeh , Chun Peter , Lyu Quan , Cotella Giovanni , Aziz Hany
Published: August 2021

QDLEDs are being pursued for next-generation display applications but their limited stability is still an issue. This work uncovers the benefits of using ZnO:PEI composite layers as a simple approach for enhancing their stability.
On the role of steric and exchange–correlation effects in halogenated complexes
Authors: Alipour Mojtaba , Fallahzadeh Parisa
Published: August 2021

Density functional theory formalisms of energy partitioning schemes are utilized to find out what energetic components govern interactions in halogenated complexes.
Direct conversion of secondary propargyl alcohols into 1,3-di-arylpropanone via DBU promoted redox isomerization and palladium assisted chemoselective hydrogenation in a single pot operation
Authors: De Rimpa , Savarimuthu S. Antony , Chandra Shubhadeep , Bera Mrinal K.
Published: August 2021

Palladium(ii)acetate is found to be an efficient catalyst for the single-step conversion of secondary propargyl alcohols to 1,3-diarylpropanone derivatives under mild basic conditions.
Efficient synthesis of 6,6′-diamido-2,2′-dipicolylamine ligands for potential phosphate anion sensing
Authors: Wang Shuai , Gong Lichong , El Fakhri Georges , Wang Junfeng
Published: August 2021

Through retrosynthetic analysis, functionalized 6,6′-diamido-2,2′-dipicolylamines (DA-DPAs) have been efficiently synthesized, which may accelerate the development of selective probes towards phosphate anions.
Neodymium-decorated graphene as an efficient electrocatalyst for hydrogen production
Authors: Chen Lifang , Sagar Rizwan Ur Rehman , Aslam Sehrish , Deng Yiqun , Hussain Shahid , Ali Waris , Liu Chao , Liang Tongxiang , Hou Xinmei
Published: August 2021

Ball-like and fiber-like morphologies of neodymium (Nd) are grown on the surface of graphene as an efficient catalyst to produce hydrogen via water splitting.
The microenvironment and pKa perturbation of aminoacyl-tRNA guided the selection of cationic amino acids
Authors: Hazra Bibhas , Prasad Mahesh , Roy Rajat , Tarafdar Pradip K.
Published: August 2021

The selection of cationic amino acids as proteinogenic over the lower analogues was highlighted. The stability of aa-tRNA, pKa perturbation and regioselectivity to α-amines could have shaped the selection of cationic amino acids.
Organocatalytic enantioselective aza-Friedel–Crafts reaction between benzothiazolimines and 2-naphthols for the preparation of chiral 2′-aminobenzothiazolomethyl naphthols
Authors: Li Chen-Yi , Xiang Min , Zhang Jian , Li Wen-Sheng , Zou Ying , Tian Fang , Wang Li-Xin
Published: August 2021

An organocatalytic enantioselective aza-Friedel–Crafts reaction between 2-naphthols and benzothiazolimines has been developed, and a series of chiral 2′-aminobenzothiazolomethyl naphthols have been prepared under mild conditions.
Calculated oxidation potentials predict reactivity in Baeyer–Mills reactions
Authors: Tombari Robert J. , Tuck Jeremy R. , Yardeny Noah , Gingrich Phillip W. , Tantillo Dean J. , Olson David E.
Published: August 2021

The Baeyer–Mills reaction is widely utilized to synthesize azobenzenes, but often produces azoxybenzene as an undesired byproduct. Here, we use a computational approach to predict the outcomes of Baeyer–Mills reactions.
Polyvinyl alcohol modification with sustainable ketones
Authors: Su Yu-Kai , Coxwell Caroline M. , Shen Steven , Miller Stephen A.
Published: August 2021

Water-degradable polyvinyl ketals with high glass transition temperatures (78–127 °C) were made via ketalization of polyvinyl alcohol (PVA) with sustainable ketones.
New Fe–Cu bimetallic coordination compounds based on ω-ferrocene carboxylic acids and 2-thioimidazol-4-ones: structural, mechanistic and biological studies
Authors: Guk Dmitry A. , Krasnovskaya Olga O. , Moiseeva Anna A. , Tafeenko Victor A. , Ul'yanovskii Nikolay V. , Kosyakov Dmitriy S. , Pergushov Vladimir I. , Ya. Melnikov Mikhail , Zyk Nikolay V. , Skvortsov Dmitry A. , Lopatukhina Elena V. , Vaneev Alexander N. , Gorelkin Petr V. , Erofeev Alexander S. , Majouga Alexander G. , Beloglazkina Elena K.
Published: August 2021

Synthesis, characterization and in vitro cytotoxic investigation of a series of new ferrocene-containing derivatives based on ω-ferrocene carboxylic acids and 2-alkylthioimidazolin-4-ones and their copper complexes have been reported.
A new family of Fe4Ln4 (Ln = DyIII, GdIII, YIII) wheel type complexes with ferromagnetic interaction, magnetocaloric effect and zero-field SMM behavior
Authors: Mondal Arpan , Raizada Mukul , Sahu Pradip Kumar , Konar Sanjit
Published: August 2021

Observation of ferromagnetic interactions and single molecule toroic (SMT) behavior in Fe4Ln4 wheel complexes.
Functional hydrogel-based supercapacitors for wearable bioelectronic devices
Authors: Jiang Lili , Lu Xiong
Published: August 2021

Functional hydrogel-based electrodes and electrolytes for multifunctional supercapacitors for wearable bioelectronic devices.
Polymeric hole-transporting material with a flexible backbone for constructing thermally stable inverted perovskite solar cells
Authors: Zhang Wenhua , Zong Xueping , Luo Ming , Hua Mengnan , Zhu Lianjie , Liang Mao , Xue Song
Published: August 2021

A type of comparatively flexible binaphthyl-ether structured polymer, which reveals high device thermal-durability, is reported.
Enhanced birefringence and suppressed second harmonic generation response mechanism in nonlinear optical materials via structural fine-tuning
Authors: Li Fuming , Pan Shilie , Yang Zhihua
Published: August 2021

The microscopic anionic groups with special arrangement are crucial in determining optical properties of optical functional materials. The fluorooxo-functional units BOxF4-x affect optical properties for nonlinear optical material fluorooxoborates.
Recent advances in cyclization reactions of isatins or thioisatins via C–N or C–S bond cleavage
Authors: Shen Jinhui , Zhang Lei , Meng Xiangtai
Published: August 2021

This review summarizes recent developments on cyclization reactions induced by the C–N or C–S bond cleavage of isatins or thioisatins in the last 5 years, which produce fused products instead of spiro compounds.
Novel sulphonic acid liquid crystal derivatives: experimental, computational and optoelectrical characterizations
Authors: Alshabanah Latifah A. , Al-Mutabagani Laila A. , Gomha Sobhi M. , Ahmed Hoda A. , Popoola Saheed A. , Shaban Mohamed
Published: August 2021

A novel liquid crystal homologous series based on the benzene sulphonic acid moiety, namely (E)-4-((4-((4-(alkoxy)benzoyl)oxy)benzylidene)amino)benzenesulfonic acid (Sn), was synthesized and examined via different experimental and theoretical measurements.
Facile synthesis and biological evaluation of tryptamine-piperazine-2,5-dione conjugates as anticancer agents
Authors: Meng Jiang-Ping , Li Shi-Qiang , Tang Yan , Xu Zhi-Gang , Chen Zhong-Zhu , Gao Li-Xia
Published: August 2021

A series of tryptamine-piperazine-2,5-dione conjugates derivatives was designed and synthesized via Ugi cascade reaction. The discovery of compound 6h may provide a new avenue for pancreatic cancer drug discovery.
Anti- and pro-oxidant potential of lettuce (Lactuca sativa L.) biofortified with iodine by KIO3, 5-iodo- and 3,5-diiodosalicylic acid in human gastrointestinal cancer cell lines
Authors: Sularz Olga , Koronowicz Aneta , Smoleń Sylwester , Kowalska Iwona , Skoczylas Łukasz , Liszka-Skoczylas Marta , Tabaszewska Małgorzata , Pitala Joanna
Published: August 2021

Vegetables are particularly rich sources of micronutrients and phytochemicals such as polyphenols and vitamins.
Design, synthesis, biological assessment and in silico ADME prediction of new 2-(4-(methylsulfonyl) phenyl) benzimidazoles as selective cyclooxygenase-2 inhibitors
Authors: Badawy Mohamed A. S. , Abdelall Eman K. A. , EL-Nahass EL-Shaymaa , Abdellatif Khaled R. A. , Abdel-Rahman Hamdy M.
Published: August 2021

A novel series of benzimidazole derivatives wherein 4-(methylsulfonyl) phenyl pharmacophore attached via its C-2 position was designed and synthesized.
A review on the use of DFT for the prediction of the properties of nanomaterials
Authors: Makkar Priyanka , Ghosh Narendra Nath
Published: August 2021

Depiction of unusual properties of nanomaterials through DFT studies.
Interplay between structural deformations and flat band phenomenology in twisted bilayer antimonene
Authors: Souza Alan C. R. , Matos Matheus J. S. , Mazzoni Mario S. C.
Published: August 2021

Strong interlayer interactions allows for electron localization and emergence of flat bands in relatively higher twist angles in Sb bilayer. Noncovalent functionalization with electron acceptor molecules may modulate their energy position.
Sm0.5Sr0.5Fe0.8M0.2O3−δ (M = Co, Cu) perovskite oxides for efficient oxygen evolution reaction in alkaline electrolyte
Authors: Anand Pandiyarajan , Wong Ming-Show , Fu Yen-Pei
Published: August 2021

A Sm0.5Sr0.5Fe0.8Co0.2O3 perovskite electrocatalyst for the electrochemical oxygen evolution reaction (OER) in 1 M KOH electrolyte.
Polypyrrole-doped conductive self-healing multifunctional composite hydrogels with a dual crosslinked network
Authors: Wang Xuemiao , Li Xin , Zhao Lingling , Li Meng , Li Yan , Yang Wu , Ren Jie
Published: August 2021

Soft hydrogel materials can be applied for use in biosensors, wearable electronics, artificial skin, soft robots, and so on.
Vesicle deformation and division induced by flip-flops of lipid molecules
Authors: Urakami Naohito , Sakuma Yuka , Chiba Toshikaze , Imai Masayuki
Published: August 2021

The flip-flop of lipids induces deformation of binary vesicles to relax the area difference energy and mixing free energy. When the binary vesicle is composed of zero and negative spontaneous curvature lipids, the flip-flop induces vesicle division.
Dendritic growth of protein gel in the course of sweat pore plugging by aluminium salts under physiological conditions
Authors: Galey Jean-Baptiste , Botet Robert , Sakhawoth Yasine , Dupire Jules , Leonforte Fabien , Chardon Marion , Monti Fabrice , Tabeling Patrick , Cabane Bernard
Published: August 2021

Confocal microscopy + numerical simulations reveal the mechanisms involved in the formation of a dendritic plug appearing in sweat flowing across a microfluidic channel in the presence of aluminium salts.
Fe3O4 assembly for tumor accurate diagnosis by endogenous GSH responsive T2/T1 magnetic relaxation conversion
Authors: Wang Chengbin , Yan Chenglin , An Lu , Zhao Huifeng , Song Shaoli , Yang Shiping
Published: August 2021

An ultra-small-sized Fe3O4 assembly as a new MR contrast agent that can be activated by GSH to have a T2 to T1 effect, which provides a more accurate diagnosis method for the clinical diagnosis of tumors.
Dy3+-doped LaInO3: a host-sensitized white luminescence phosphor with exciton-mediated energy transfer
Authors: Hu Tao , Xia Lei , Liu Wen , Xie Jiyang , Jiang Zuimin , Xiong Fei , Hu Wanbiao
Published: August 2021

A new mechanism of host-sensitized energy transfer was proposed to describe the luminescence dynamics behaviors between excitons and activators. This provides a promising path to explore single-phase white light-emitting phosphors.
A new host material achieving above 75 cd A−1 current efficiency with top-emitting deep-red phosphorescent organic light-emitting diodes
Authors: Xu Qianqian , Wu Jiang , Li Zuojia , Yin Zhengkai , Li Jie , Li Xiaochang , Ueno Kazunori
Published: August 2021

Highly efficient deep-red phosphorescent OLEDs (PhOLEDs) are very important in the practical application of full-color display and automobile lighting.
Cryo-EM structure of the Rhodospirillum rubrum RC–LH1 complex at 2.5 Å
Authors: Qian Pu , Croll Tristan I. , Swainsbury David J.K. , Castro-Hartmann Pablo , Moriarty Nigel W. , Sader Kasim , Hunter C. Neil
Published: August 2021

The reaction centre light-harvesting 1 (RC–LH1) complex is the core functional component of bacterial photosynthesis. We determined the cryo-electron microscopy (cryo-EM) structure of the RC–LH1 complex from Rhodospirillum rubrum at 2.5 Å resolution, which reveals a unique monomeric bacteriochlorophyll with a phospholipid ligand in the gap between the RC and LH1 complexes. The LH1 complex comprises a circular array of 16 αβ-polypeptide subunits that completely surrounds the RC, with a preferential binding site for a quinone, designated QP, on the inner face of the encircling LH1 complex. Quinols, initially generated at the RC QB site, are proposed to transiently occupy the QP site prior to traversing the LH1 barrier and diffusing to the cytochrome bc1 complex. Thus, the QP site, which is analogous to other such sites in recent cryo-EM structures of RC–LH1 complexes, likely reflects a general mechanism for exporting quinols from the RC–LH1 complex.
Blocking of interleukin-1 suppresses angiotensin II-induced renal injury
Authors: Akita Koji , Isoda Kikuo , Ohtomo Fumie , Isobe Sarasa , Niida Tomiharu , Sato-Okabayashi Yayoi , Sano Motoaki , Shimada Kazunori , Iwakura Yoichiro , Minamino Tohru
Published: August 2021

Clinical hypertension (HT) is associated with renal inflammation and elevated circulating levels of proinflammatory cytokines. Interleukin (IL)-1 receptor antagonist (IL-1Ra) is one of the most important anti-inflammatory cytokines and plays a crucial role in inflammation. Inhibition of IL-1 may contribute to modulation of the Angiotensin II (Ang II)-induced HT response. The present study aimed to elucidate the effects of IL-1Ra and anti-IL-1β antibody (01BSUR) on Ang II-induced renal injury.

To determine the contribution of IL-1Ra to Ang II-induced renal inflammation, male wildtype (WT) and IL-1Ra-deficient (IL-1Ra−/−) mice were infused with Ang II (1000 ng/kg/min) using subcutaneous osmotic pump for 14 days. We checked renal function, histological change, and several mRNA expressions 14 days after infusion. Fourteen days after infusion, systolic blood pressure (197 ± 5 vs 169 ± 9 mmHg, P<0.05) in IL-1Ra−/− mice significantly increased compared with WT mice. Furthermore, on day 14 of Ang II infusion, plasma IL-6 was 5.9-fold higher in IL-1Ra−/− versus WT mice (P<0.001); renal preproendothelin-1 mRNA expression was also significantly higher in IL-1Ra−/− mice (P<0.05). In addition, renal histology revealed greater damage in IL-1Ra−/− mice compared with WT mice 14 days after infusion. Finally, we administrated 01BSUR to both IL-1Ra−/− and WT mice, and 01BSUR treatment decreased Ang II-induced HT and renal damage (glomerular injury and fibrosis of the tubulointerstitial area) in both IL-1Ra−/− and WT mice compared with IgG2a treatment. Inhibition of IL-1 decreased Ang II-induced HT and renal damage in both IL-1Ra−/− and WT mice, suggesting suppression of IL-1 may provide an additional strategy to protect against renal damage in hypertensive patients.
Allosteric activation of PP2A inhibits experimental abdominal aortic aneurysm
Authors: Zhou Xianming , Zhang Chao , Xie Fei , Wei Wei , Li Rui , Xu Qian , Wang Yu , Klenotic Philip A. , Narla Goutham , Dong Nianguo , Lin Zhiyong
Published: August 2021

Although extremely important, the molecular mechanisms that govern aortic aneurysm (AA) formation and progression are still poorly understood. This deficit represents a critical roadblock toward the development of effective pharmaceutical therapies for the treatment of AA. While dysregulation of protein phosphatase 2A (PP2A) is thought to play a role in cardiovascular disease, its role in aortic aneurysm is unknown. The objective of the present study is to test the hypothesis that PP2A regulates abdominal aortic aneurysm (AAA) progression in a murine model. In an angiotensin II-induced AAA murine model, the PP2A inhibitor, LB-100, markedly accelerated AAA progression as demonstrated by increased abdominal aortic dilation and mortality. AAA progression was associated with elevated inflammation and extracellular matrix fragmentation, concomitant with increases in both metalloproteinase activity and reactive oxygen species production. Conversely, administration of a novel class of small molecule activators of PP2A (SMAPs) resulted in an antithetical effect. SMAPs effectively reduced AAA incidence along with the corresponding pathologies that were increased with LB-100 treatment. Mechanistically, modulation of PP2A activities in vivo functioned in part via alteration of the ERK1/2 and NFκB signaling pathways, known regulators of AAA progression. These studies, for the first time, demonstrate a role of PP2A in AAA etiology and demonstrate that PP2A activation may represent a novel strategy for the treatment of abdominal aortic aneurysms.
Novel scientific methods in court
Authors: Hackman Lucina , Nic Daeid Niamh
Published: August 2021

In recent decades the use of forensic science in investigations and therefore its subsequent presentation within the courts has increased exponentially, fuelled by an increase in scientific advances, development of databases and greater access to scientists and their expertise. This explosion in the use of forensic evidence has not been limited to one single scientific domain, as there are a broad range of scientific disciplines, encompassed by the general umbrella term' forensic science'. Many of these involve commonly applied methodologies and are accepted by the courts with limited scrutiny. Where tensions exist concerning the use of science in the courtroom is when novel or emerging sciences and scientific techniques are introduced. This may be particularly evident when the demands of the investigatory phase, where those working want to apply all possible tools at their disposal to gather as much evidence as possible and the needs of the courts, where the evidence must scientifically robust and admissible for it to be presented before a jury, come together. This paper examines the implications for the court for emerging or novel sciences and scientific techniques. In such cases, the potential rewards of implementing the scientific process and the information these may contribute to an investigation provides a temptation to investigators to push for their operational use, with the unintended consequence of posing an issue to the court when considering whether to admit the evidence into the judicial process.
The immunogenicity of midbrain dopaminergic neurons and the implications for neural grafting trials in Parkinson’s disease
Authors: Qarin Shamma , Howlett Sarah K. , Jones Joanne L. , Barker Roger A.
Published: August 2021

Dopaminergic (DA) cell replacement therapies are a promising experimental treatment for Parkinson’s disease (PD) and a number of different types of DA cell-based therapies have already been trialled in patients. To date, the most successful have been allotransplants of foetal ventral midbrain but even then, the results have been inconsistent. This coupled to the ethical and logistical problems with using this tissue has meant that an alternative cell source has been sought of which human pluripotent stem cells (hPSCs) sources have proven very attractive. Robust protocols for making mesencephalic DA (mesDA) progenitor cells from hPSCs now exist and the first in-human clinical trials have or are about to start. However, while their safety and efficacy are well understood, relatively little is known about their immunogenicity and in this review, we briefly summarise this with reference mainly to the limited literature on human foetal DA cells.
The Combination of Neural Tracking and Alpha Power Lateralization for Auditory Attention Detection
Authors: Drgas Szymon , Blaszak Magdalena , Przekoracka-Krawczyk Anna
Published: August 2021

Purpose

The acoustic source that is attended to by the listener in a mixture can be identified with a certain accuracy on the basis of their neural response recorded during listening, and various phenomena may be used to detect attention. For example, neural tracking (NT) and alpha power lateralization (APL) may be utilized in order to obtain information concerning attention. However, these methods of auditory attention detection (AAD) are typically tested in different experimental setups, which makes it impossible to compare their accuracy. The aim of this study is to compare the accuracy of AAD based on NT, APL, and their combination for a dichotic natural speech listening task.

Method

Thirteen adult listeners were presented with dichotic speech stimuli and instructed to attend to one of them. Electroencephalogram of the subjects was continuously recorded during the experiment using a set of 32 active electrodes. The accuracy of AAD was evaluated for trial lengths of 50, 25, and 12.5 s. AAD was tested for various parameters of NT- and APL-based modules.

Results

The obtained results suggest that NT of natural running speech provides similar accuracy to APL. The statistically significant improvement of the accuracy of AAD using a combined method has been observed not only for the longest duration of test samples (50 s,
p
= .005) but also for shorter ones (25 s,
p
= .011).

Conclusions

It seems that the combination of standard NT and APL significantly increases the effectiveness of accurate identification of the traced signal perceived by a listener under dichotic conditions. It has been demonstrated that, under certain conditions, the combination of NT and APL may provide a benefit for AAD in cocktail party scenarios.
A Preliminary Study of Nursing Practice Patterns Concerning Dysphagia Diet Modification: Implications for Interprofessional Education With SLPs
Authors: Gurevich Naomi , Osmelak Danielle R. , Osentoski Sydney
Published: August 2021

Purpose

Speech-language pathologists (SLPs) are trained to evaluate and treat dysphagia. One treatment method is to modify diet consistency or viscosity to compensate for swallowing dysfunction and promote a safer intake; this typically involves softening solids and thickening liquids. Thickening liquids is not safer for all patients, and modification of dysphagia diets without adequate training may reduce the quality of dysphagia patient care. Over 90% of SLPs working in health care report exposure to nurses who regularly downgrade dysphagia diets without an SLP consult. This study explores dysphagia diet modification practices of nursing staff with and without dysphagia training.

Method

Practicing nurses and student nurses (
N
= 298) in the United States were surveyed regarding their dysphagia diet modification training and practice patterns. Additionally, a pre-/posttest design was used to determine the efficacy of a short general tutorial on willingness to modify diets without an SLP consult.

Results

Downgrading diets without an SLP consult is a common practice. Fewer than one third of nurses (31.41%) would avoid it, whereas 73.65% would avoid upgrading without SLP consult. Formal dysphagia training made little difference to this practice. The short general tutorial also had no beneficial effect, in fact slightly reducing the willingness to consult SLPs.

Conclusions

Dysphagia diet modification practice by nurses is pervasive in U.S. health care. This is a previously unexplored but common issue SLPs face in work settings. This study identifies a need to clarify guidelines and increase interprofessional education between both professions to improve patient care.
Stabilization of hybrid systems by intermittent feedback controls based on discrete‐time observations with a time delay
Authors: Jiang Yanan , Hu Liangjian , Lu Jianqiu , Mao Wei , Mao Xuerong
Published: August 2021

This paper mainly investigates stabilization of hybrid stochastic differential equations (SDEs) via periodically intermittent feedback controls based on discrete‐time state observations with a time delay. First, by using the theory of M‐matrix and intermittent control strategy, we establish sufficient conditions for the stability of hybrid SDEs. Then, we prove the intermittent stabilization for a given unstable nonlinear hybrid SDE by comparison theorem. Two numerical examples are discussed to support our results of theoretical analysis.
Triple-frequency meteor radar full wave scattering
Authors: Stober G. , Brown P. , Campbell-Brown M. , Weryk R. J.
Published: August 2021

Context. Radar scattering from meteor trails depends on several poorly constrained quantities, such as electron line density, q, initial trail radius, r0, and ambipolar diffusion coefficient, D.

Aims. The goal is to apply a numerical model of full wave backscatter to triple frequency echo measurements to validate theory and constrain estimates of electron radial distribution, initial trail radius, and the ambipolar diffusion coefficient.

Methods. A selection of 50 transversely polarized and 50 parallel polarized echoes with complete trajectory information were identified from simultaneous tri-frequency echoes recorded by the Canadian Meteor Orbit Radar. The amplitude-time profile of each echo was fit to our model using three different choices for the radial electron distribution assuming a Gaussian, parabolic-exponential, and 1-by-r2 electron line density model. The observations were manually fit by varying, q, r0, and D per model until all three synthetic echo-amplitude profiles at each frequency matched observation.

Results. The Gaussian radial electron distribution was the most successful at fitting echo power profiles, followed by the 1∕r2. We were unable to fit any echoes using a profile where electron density varied from the trail axis as an exponential-parabolic distribution. While fewer than 5% of all examined echoes had self-consistent fits, the estimates of r0 and D as a function of height obtained were broadly similar to earlier studies, though with considerable scatter. Most meteor echoes are found to not be described well by the idealized full wave scattering model.
Ethnic Disparities in Thrombotic and Bleeding Diatheses Revisited: A Systematic Review of Microsurgical Breast Reconstruction across the East and West
Authors: Bene Nicholas C. , Minasian Raquel A. , Khan Saiqa I. , Desjardins Haley E. , Guo Lifei
Published: August 2021

Background Ethnicity has been shown to play a role in disparate coagulative responses between East Asian and Caucasian patients undergoing nonmicrovascular surgery. In this study, we sought to further investigate this hematologic phenomenon between the two ethnic groups within the field of microsurgical breast reconstruction.

Methods A systematic review examining the reported incidence of microvascular thrombosis and all-site bleeding among breast free flaps in East Asians and Westerners was performed. Statistical analysis was performed using the chi-square test.

Results Ten East Asian studies with 581 flaps and 99 Western studies with 30,767 flaps were included. A statistically significant higher rate of thrombotic complications was found in Westerners compared with East Asians (4.2 vs. 2.2%, p = 0.02). Conversely, bleeding events were more common in East Asians compared with Westerners (2.6 vs. 1.2%, p = 0.002).

Conclusion There appears to be an ethnicity-based propensity for thrombosis in Westerners and, conversely, for bleeding in East Asians, as evident by the current systematic review of microvascular breast reconstruction data. It is therefore advisable to consider ethnicity in the comprehensive evaluation of patients undergoing microsurgical procedures.
Is Hematopoietic Clonality of Indetermined Potential a Risk Factor for Pulmonary Embolism?
Authors: Jedraszak G. , Soudet S. , Evrard O. , Marolleau J.P. , Garcon L. , Pietri M.A. Sevestre
Published: August 2021

Background Unprovoked pulmonary embolism (uPE) is a severe and frequent condition. Identification of new risk factors is mandatory to identify patients that would benefit from a long-term treatment. Clonal hematopoiesis of indeterminate potential (CHIP) is defined by the acquisition of somatic mutations that drive clonal expansion in the absence of cytopenia. Its prevalence is estimated of 5% in the population above 65 years. Since inflammation and endothelial dysfunction may share a pathophysiological pathway(1), we hypothesized that CHIP, may be a risk factor for uPE.

Methods We conducted a pilot retrospective observational study. Patients with iPE between 18 to 65 years old were included. PE was considered as unprovoked, when no transient nor persistant risk factor was present and when thrombophilia testing was negative. We excluded documented atherosclerosis, personal or familial history of VTE and presence of cytopenias. CHIP proportion in uPE patients were analyzed using next generation sequencing of the coding sequence of a custom panel composed by DNMT3A, ASXL1, SF3B1, TET2 and TP 53.

Results Upon 61 patients with uPE consecutively included, a total of 19 somatic mutations were found in 12 patients (20%) IC95% [10 - 20]. 15 mutations were found in DNMT3A gene, 3 in ASXL1 and one in TET2. There was no diference in terms of age, PE location, DVT presence and risk stratification in CHIP carriers and non carriers.

Conclusion We report for the first time, the presence of high rates of CHIP in patients presenting with uPE. Thus, CHIP may be a new risk factor for VTE. These results need to be confirmed in an ongoing prospective case-control study including more patients and using a more diverse gene panel to better determine CHIP incidence in uPE.