bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational modelling of Pd-catalysed alkoxycarbonylation of alkenes and alkynes
Authors: Ahmad Shahbaz , Bühl Michael
Published: July 2021

How theory and computation can afford mechanistic insights into important reactions in homogeneous catalysis.
Critical factors affecting the albumin binding of half-sandwich Ru(ii) and Rh(iii) complexes of 8-hydroxyquinolines and oligopyridines
Authors: Dömötör Orsolya , Pivarcsik Tamás , Mészáros János P. , Szatmári István , Fülöp Ferenc , Enyedy Éva A.
Published: July 2021

The binding affinity of Ru(η6-p-cymene) and Rh(η5-C5Me5) complexes of 8-hydroxyquinoline derivatives and oligopyridine ligands to albumin was studied by spectroscopic and separation techniques.
Facile synthesis of one-dimensional vanadyl acetate nanobelts toward a novel anode for lithium storage
Authors: Wen Ni , Chen Siyuan , Li Xiaolong , Zhang Ke , Feng Jingjie , Zhou Zhiyong , Fan Qinghua , Kuang Quan , Dong Youzhong , Zhao Yanming
Published: July 2021

One-dimensional vanadyl acetate (VA) nanobelts are synthesized for the first time as an anode for lithium-ion batteries, displaying a superior electrochemical performance. In situ XRD patterns indicate the reversibility of Li+ ion insertion/extraction.
Water-soluble silver(i) complexes with N-donor benzimidazole ligands containing an imidazolium core: stability and preliminary biological studies
Authors: Karataş Mert Olgun , Özdemir Namık , Sarıman Melda , Günal Selami , Ulukaya Engin , Özdemir İsmail
Published: July 2021

We report the synthesis, characterisation and biological investigation of two novel water-soluble silver(i) complexes with N-donor benzimidazoles containing an imidazolium core at the 2-position.
Recent advances in metal–organic framework-based electrode materials for supercapacitors
Authors: Li Weiwei , Zhao Xueyan , Bi Qiong , Ma Qingxiang , Han Lei , Tao Kai
Published: July 2021

This Frontier article highlights the recent progress in the synthesis of MOF-based micro/nano-structured electrode materials including pristine MOFs, MOF composites and MOF derivatives, and their application in SCs.
Engineering a conductive network of atomically thin bismuthene with rich defects enables CO2 reduction to formate with industry-compatible current densities and stability
Authors: Zhang Min , Wei Wenbo , Zhou Shenghua , Ma Dong-Dong , Cao Aihui , Wu Xin-Tao , Zhu Qi-Long
Published: July 2021

An electrocatalytic membrane featuring a 3D porous conductive network of atomically thin and defect-rich bismuthene nanolayers is assembled, which affords an unparalleled catalytic performance for CO2 electroreduction to formate.
Ultraviolet-induced photodegradation elevated the toxicity of polystyrene nanoplastics on human lung epithelial A549 cells
Authors: Shi Qingying , Tang Jingchun , Liu Xiaomei , Liu Rutao
Published: July 2021

UV-induced photodegradation posed greater cytotoxicity, as clearly evidenced by the impaired cell viability, stronger oxidative stress, serious membrane damage, intensive mitochondrial dysfunction, and the altered transcriptome responses.
Development of natural pigments microencapsulated in waste yeastSaccharomyces cerevisiaeusing spray drying technology and their application in yogurt
Authors: Rubio Fernanda Thaís Vieira , Haminiuk Charles Windson Isidoro , dos Santos Mayara Martins , Thomazini Marcelo , Moraes Izabel Cristina Freitas , Martelli-Tosi Milena , Fávaro-Trindade Carmen Sílvia
Published: July 2021

This work evidenced the utilization of enriched yeasts as coloring agents and interesting additives for the production of functional foods.
Recycling of spent lithium-ion batteries in view of green chemistry
Authors: Li Yukun , Lv Weiguang , Huang Hanlin , Yan Wenyi , Li Xiaokang , Ning Pengge , Cao Hongbin , Sun Zhi
Published: July 2021

This research could provide a guideline for implementing green chemistry principles into spent LIBs recycling.
Natural eutectogels: sustainable catalytic systems for C–C bond formation reactions
Authors: Saavedra Beatriz , Meli Alessandro , Rizzo Carla , Ramón Diego J. , D'Anna Francesca
Published: July 2021

Natural eutectogels are used as organized reaction media to perform C–C bond formation reactions in a sustainable way.
δ
13C compound-specific isotope analysis in organic compounds by GC/MC-ICPMS
Authors: Zakon Yevgeni , Halicz Ludwik , Gelman Faina
Published: July 2021

The work demonstrates a novel analytical method for compound-specific carbon isotope analysis in organic compounds by gas chromatography hyphenated with MC-ICPMS.
Ultrafine Ru nanoclusters supported on N/S doped macroporous carbon spheres for efficient hydrogen evolution reaction
Authors: Wang Yijie , Luo Wenjie , Li Haojie , Cheng Chuanwei
Published: July 2021

An efficient HER catalyst of ultrafine Ru nanoclusters supported on N/S-doped macroporous hollow carbon spheres is developed. Particle sizes and electronic structure of Ru are regulated via a N/S-co-doping strategy, leading to a low η10 of 32 mV.
On the anomeric preference of the isothiocyanato group
Authors: Sosa-Gil Concepción , Babiano Reyes , Cintas Pedro , Light Mark E. , Palacios Juan C.
Published: July 2021

Anomeric effect of the isothiocyanato group has been quantified for the first time in xylopyranose triacetates; both anomers being synthesized.
A zwitterionic red-emitting water-soluble conjugated polymer with high resistance to nonspecific binding for two-photon cell imaging and good singlet oxygen production capability
Authors: Huang Yan-Qin , Jiang Shan-Shan , Pan Li-Xiang , Zhang Rui , Liu Kun-Lin , Liu Xing-Fen , Fan Qu-Li , Wang Lian-Hui , Huang Wei
Published: July 2021

A zwitterionic red-emitting water-soluble conjugated polymer exhibited better two-photon cell imaging and singlet oxygen production capability than its cationic analogue.
Copper-catalyzed efficient access to 2,4,6-triphenyl pyridinesviaoxidative decarboxylative coupling of aryl acetic acids with oxime acetates
Authors: Varaprasad Bodala , Bharat Kumar Karasala , Siddaiah Vidavalur , Shyamala Pulipaka , Chinnari Lekkala
Published: July 2021

A simple and efficient strategy for the synthesis of 2,4,6- triphenyl pyridines has been developed through copper-catalysed oxidative decarboxylative coupling of C(sp3) aryl acetic acids with oxime acetates using oxygen as a sole terminal oxidant.
Symmetry driven: the synthesis of co-substituent octasilsesquioxanes
Authors: Prigyai Nicha , Chanmungkalakul Supphachok , Sukwattanasinitt Mongkol , Ervithayasuporn Vuthichai
Published: July 2021

Cubic octasilsesquioxanes with mixed substituents were directly synthesized through a sol–gel process using the mixture of i-butyl(triethoxysilane) and other alkoxysilanes.
Recent progress on the synthesis of henna-based dibenzoxanthenes
Authors: Sadeghpour Mahdieh , Olyaei Abolfazl , Adl Alireza
Published: July 2021

Xanthenes are a class of natural and synthetic heterocyclic compounds that exhibit a broad spectrum of biological properties and synthetic applications.
Anion recognition by anthracene appended ortho-aminomethylphenylboronic acid: a new PET-based sensing mechanism
Authors: Ortega-Valdovinos Luis Ramón , Valdes-García Josue , Bazany-Rodríguez Iván J. , Lugo-González José Carlos , Dorazco-González Alejandro , Yatsimirsky Anatoly K.
Published: July 2021

Carboxylate, phosphate and sulphate anions form hydrogen bonded complexes with the B(OH)2 group of the receptor 1 producing a turn-off fluorescence response, while the malonate monoanion induces the opposite turn-on effect.
Synthesis of ultrafine Co/CoO nanoparticle-embedded N-doped carbon framework magnetic material and application for 4-nitrophenol catalytic reduction
Authors: Wang Dongsheng , Xu Liang , Zeng Fanming , Hu Xiaoli , Liu Bailing , Li Chun , Su Zhongmin , Sun Jing
Published: July 2021

An ultrafine Co/CoO nanoparticle-embedded N-doped porous carbon framework magnetic material was successfully synthesized based on a designed Co-MOF. Co/CoO@NC has good catalytic activity and recyclability for the 4-NP reduction reaction.
Preparation of a BTA–UIO–GO nanocomposite to endow coating systems with active inhibition and passive anticorrosion performances
Authors: Chen Haidong , Yu Zongxue , Cao Kunyao , Chen Legang , Pang Yao , Xie Chunxia , Jiang Yong , Zhu Lijuan , Wang Juan
Published: July 2021

Zirconium ions (Zr4+) react with hydroxide ions (OH−) to form a zirconium hydroxide (Zr(OH)4) passive film to protect the metal.
Progress in the self-assembly of porphyrin derivatives on surfaces: STM reveals
Authors: Meng Ting , Lei Peng , Zeng Qingdao
Published: July 2021

The latest progress in the assembly of porphyrin derivatives on solid surfaces.
Nonvolatile magnetoelectric coupling in two-dimensional ferromagnetic-bilayer/ferroelectric van der Waals heterostructures
Authors: Wang Wenxuan , Sun Wei , Li Hang , Bai Ying , Ren Fengzhu , You Caiyin , Cheng Zhenxiang
Published: July 2021

The weak interlayer exchange coupling introduced by CrOBr bilayer makes it easier to be regulated by ferroelectric polarization in CrOBr-bilayer/In2Se3 heterostructure.
CrSbS3 monolayer: a potential phase transition ferromagnetic semiconductor
Authors: Feng Qingqing , Li Xiangyang , Li Xingxing , Yang Jinlong
Published: July 2021

We realized a potential phase transition ferromagnetic semiconductor in exfoliated CrSbS3 monolayer.
Surface energy transfer in hybrid halide perovskite/plasmonic Au nanoparticle composites
Authors: Ramos-Terrón Susana , Alba-Molina David , Varo M. Ángeles , Cano Manuel , Giner-Casares Juan José , de Miguel Gustavo
Published: July 2021

Controlling the distance between MAPbI3 and Au NPs allows tuning the quenching of the photoluminescence of hybrid halide perovskites. The surface energy transfer mechanism accounted for this change in the quenching efficiency.
Correction: Structural insights into fusion mechanisms of small extracellular vesicles with model plasma membranes
Authors: Perissinotto Fabio , Rondelli Valeria , Senigagliesi Beatrice , Brocca Paola , Almásy László , Bottyán László , Merkel Dániel Géza , Amenitsch Heinz , Sartori Barbara , Pachler Karin , Mayr Magdalena , Gimona Mario , Rohde Eva , Casalis Loredana , Parisse Pietro
Published: July 2021

Correction for ‘Structural insights into fusion mechanisms of small extracellular vesicles with model plasma membranes’ by Fabio Perissinotto et al., Nanoscale, 2021, 13, 5224–5233, DOI: 10.1039/D0NR09075A.
PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety
Authors: Tajti Ádám , Szabó Kármen Emőke , Popovics-Tóth Nóra , Iskanderov Javad , Perdih Franc , Hackler László , Kari Beáta , Puskás László G. , Bálint Erika
Published: July 2021

A new approach for the synthesis of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety was developed, and several products showed moderate activity against a number of cell lines.
Long-wavelength NIR luminescence of 2,2′-bipyridyl-Pt(ii) dimers achieved by enhanced Pt–Pt interaction
Authors: Su Meng-Meng , Ni Jun , Guo Zhong-Cui , Liu Shu-Qin , Zhang Jian-Jun , Meng Chang-Gong
Published: July 2021

Benefiting from the very strong intermolecular Pt–Pt interaction, 2,2′-bipyridyl-Pt(ii) dimers have achieved long-wavelength near-infrared luminescence exceeding 1000 nm for the first time.
The first 2,6-di(1,6-naphthyridin-2-yl)pyridine-based redox photochromic coordination polymer platform with selective vapochromism for trolamine
Authors: Li Lei , Zhao Yan , Wang Xiu-Guang , Song Wei-Chao , Huang Zheng-Guo , Zhao Xiao-Jun , Yang En-Cui
Published: July 2021

The first redox photochromic coordination polymer system with photosensitive 2,6-di(1,6-naphthyridin-2-yl)pyridine ligand has been developed, exhibiting stepwise photo- and vapochromism towards UV irradiation and amino-attached vapor fumigation.
Surface-dependent band structure variations and bond-level deviations in Cu2O
Authors: Tan Chih-Shan , Huang Michael H.
Published: July 2021

New DFT calculations revealed notable variations in the band gap, bond length and bond geometry in different planes of Cu2O, which helped in understanding its various facet-dependent behaviors.
Rational assembly of metal-oxo clusters into molecular materials via a “wheel mounting” mode
Authors: Fu Hao , Wu Xin , Fang Wei-Hui , Zhang Lei , Wang Fei , Zhang Jian
Published: July 2021

Presented here is the self-assembly of metal-oxo clusters into molecular materials of different shapes and sizes via a “wheel mounting” mode, and molecular transformation was optical-driven.
Ligand-free Pd/Ag-mediated dehydrogenative alkynylation of imidazole derivatives
Authors: Bellina Fabio , Biagetti Matteo , Guariento Sara , Lessi Marco , Fausti Mattia , Ronchi Paolo , Rosadoni Elisabetta
Published: July 2021

The regioselective synthesis of 2-alkynyl(benz)imidazoles was successfully achieved by Pd(ii)/Ag(i)-mediated dehydrogenative alkynylation of the corresponding (benz)imidazoles with terminal alkynes in an open vessel.
EfficientN-sulfopropylation of chitosan with 1,3-propane sultone in aqueous solutions: neutral pH as the key condition
Authors: Heydari Abolfazl , Darroudi Mahdieh , Lacík Igor
Published: July 2021

Conjugation of strong anionic sulfonate groups to chitosan (CS) is typically used for converting the weak cationic CS to its polyampholyte derivatives, which are of interest to different areas benefiting from both cationic and anionic groups.
Combining palladium and ammonium halide catalysts for Morita–Baylis–Hillman carbonates of methyl vinyl ketone: from 1,4-carbodipoles to ion pairs
Authors: Yang Yang , Zhu Bo , Zhu Lei , Jiang Ying , Guo Chun-Ling , Gu Jing , Ouyang Qin , Du Wei , Chen Ying-Chun
Published: July 2021

A double activation catalytic system combining a palladium complex and an ammonium halide was developed to promote the asymmetric [4 + 2] annulations of Morita–Baylis–Hillman carbonates of methyl vinyl ketone.
Maximizing utilization of carbon fibers by bimetallic-catalytic etching and electrochemical modification for difunctional aqueous supercapacitors
Authors: Zhang Jie , Zhang Hao , Li Wenli , Xu Guangwen , Cui Yanbin
Published: July 2021

The strategy of catalytic etching and electro-modification not only furnishes carbon fiber textiles with a loosely graphitic outer layer and hierarchical porosity, but also enables efficient incorporation of oxygen functionalities onto the surface.
Simulated filament shapes in embedded 3D printing
Authors: Friedrich Leanne M. , Seppala Jonathan E.
Published: July 2021

In embedded 3D printing, wherein a submerged nozzle extrudes fluid inks into a support bath, the viscosity ratio and interfacial energy between the ink and support control the shape of extruded filaments and droplets.
Mechanism and equilibrium thermodynamics of H- and J-aggregate formation from pseudo isocyanine chloride in water
Authors: Hämisch Benjamin , Huber Klaus
Published: July 2021

Pseudo isocyanine chloride monomers equilibrate with H-oligomers and, separated by a threshold, with H-oligomers and fiber-like J-aggregates. The mechanism and thermodynamics of J-aggregate formation is interpreted with the concept of chain growth.
Advances in SnO2-based perovskite solar cells: from preparation to photovoltaic applications
Authors: Wu Pengfei , Wang Shirong , Li Xianggao , Zhang Fei
Published: July 2021

This review initially describes the recent progress in SnO2nanostructures, preparation methods and passivation options. Then, the challenges and limitations of SnO2ETL-based PSCs were discussed and recommendations for further research were made.
Commercial-level mass-loading MnO2 with ion diffusion channels for high-performance aqueous energy storage devices
Authors: Zhang Yaxiong , Cui Xiaosha , Fu Jiecai , Liu Yupeng , Wu Yin , Zhou Jinyuan , Zhang Zhenxing , Xie Erqing
Published: July 2021

Commercial-level mass-loading manganese oxide with ion diffusion channel based electrode and supercapacitor devices have excellent electrochemical performance.
Synthesis of Au@MOF core–shell hybrids for enhanced photodynamic/photothermal therapy
Authors: Cai Xue , Zhao Yuewu , Wang Li , Hu Mingchao , Wu Zeen , Liu Lifen , Zhu Weipei , Pei Renjun
Published: July 2021

Photodynamic/photothermal therapy (PDT/PTT) has become a research focus of cancer treatment due to the non-invasiveness, spatio-temporal controllability, and effectiveness of repeated treatment.
Hydrogel, a novel therapeutic and delivery strategy, in the treatment of intrauterine adhesions
Authors: Lv Houyi , Wu Bingbing , Song Jianyuan , Wu Wei , Cai Wangyu , Xu Jian
Published: July 2021

The application of a hydrogel is showed in the treatment of IUAs as a physical barrier or novel therapeutic delivery system.
Endowing nitro-compounds with bright and stimuli-responsive luminescence based on propeller-like AIEgens
Authors: Ding Riqing , Qin Ke , Sun Huili , Zhou Shasha , Guo Sidan , Feng Hui , Ma Huili , Qian Zhaosheng
Published: July 2021

An electron-rich nitro group, having higher sensitivity to various environments, is attractive for constructing stimuli-responsive luminescent materials.
Mechanism of electrochemical oxygen reduction reaction at two-dimensional Pt-doped MoSe2 material: an efficient electrocatalyst
Authors: Upadhyay Shrish Nath , Pakhira Srimanta
Published: July 2021

The O2 reduction reaction (ORR) is a promising reaction in clean energy conversion systems such as fuel cells, metal-air batteries, and electrochemical reactions.
Active refractive index control using a stably evaporable perfluororesin for high-outcoupling-efficiency organic light-emitting diodes
Authors: Yokoyama Daisuke , Sasaki Tatsuki , Suzuki Yasutaka , Abe Takefumi , Tsuruoka Kaori , Miyajima Tatsuya , Kakiuchi Toshifumi , Morita Chiho , Aoki Masaharu , Ouchi Yasuhiro , Aita Wataru , Kuwana Yasuhiro , Noguchi Yutaka
Published: July 2021

A significant enhancement of outcoupling efficiency of OLEDs is demonstrated by the active refractive index control of amorphous organic semiconductors using a stably evaporable perfluororesin, which forms a nano-sized phase-separation structure.
An overview of oxygen vacancy dynamics in (1 − x)(Bi1/2Na1/2)TiO3–xBaTiO3 solid solution
Authors: Fan Zhongming , Randall Clive A.
Published: July 2021

Across the phase diagram of (Bi1/2Na1/2)TiO3-xBaTiO3 solid solution, the conduction mechanism changes from ionic to electronic through the mixed case at the morphotropic phase boundary, giving rise to distinct DC degradation behaviors.
Antisolvent treatment of copper(i) thiocyanate (CuSCN) hole transport layer for efficiency improvements in organic solar cells and light-emitting diodes
Authors: Worakajit Pimpisut , Sudyoadsuk Taweesak , Promarak Vinich , Saeki Akinori , Pattanasattayavong Pichaya
Published: July 2021

A facile antisolvent treatment of CuSCN hole transport layers can be readily applied to improve carrier transport and efficiencies of organic optoelectronic devices.
Function of cofactor Akirin2 in the regulation of gene expression in model human Caucasian neutrophil-like HL60 cells
Authors: Artigas-Jerónimo Sara , Villar Margarita , Estrada-Peña Agustín , Velázquez-Campoy Adrián , Alberdi Pilar , de la Fuente José
Published: July 2021

The Akirin family of transcription cofactors are involved throughout the metazoan in the regulation of different biological processes (BPs) such as immunity, interdigital regression, muscle and neural development. Akirin do not have catalytic or DNA-binding capability and exert its regulatory function primarily through interacting proteins such as transcription factors, chromatin remodelers, and RNA-associated proteins. In the present study, we focused on the human Akirin2 regulome and interactome in neutrophil-like model human Caucasian promyelocytic leukemia HL60 cells. Our hypothesis is that metazoan evolved to have Akirin2 functional complements and different Akirin2-mediated mechanisms for the regulation of gene expression. To address this hypothesis, experiments were conducted using transcriptomics, proteomics and systems biology approaches in akirin2 knockdown and wildtype (WT) HL60 cells to characterize Akirin2 gene/protein targets, functional complements and to provide evidence of different mechanisms that may be involved in Akirin2-mediated regulation of gene expression. The results revealed Akirin2 gene/protein targets in multiple BPs with higher representation of immunity and identified immune response genes as candidate Akirin2 functional complements. In addition to linking chromatin remodelers with transcriptional activation, Akirin2 also interacts with histone H3.1 for regulation of gene expression.
Biochemical composition, transmission and diagnosis of SARS-CoV-2
Authors: Ahirwar Rajesh , Gandhi Sonu , Komal Komal , Dhaniya Geeta , Tripathi Prem Prakash , Shingatgeri Vyas Madhavrao , Kumar Krishan , Sharma Jai Gopal , Kumar Saroj
Published: July 2021

Coronavirus disease 2019 (COVID-19) is a life-threatening respiratory infection caused by severe acute respiratory syndrome virus (SARS-CoV-2), a novel human coronavirus. COVID-19 was declared a pandemic by World Health Organization in March 2020 for its continuous and rapid spread worldwide. Rapidly emerging COVID-19 epicenters and mutants of concerns have created mammoth chaos in healthcare sectors across the globe. With over 185 million infections and approximately 4 million deaths globally, COVID-19 continues its unchecked spread despite all mitigation measures. Until effective and affordable antiretroviral drugs are made available and the population at large is vaccinated, timely diagnosis of the infection and adoption of COVID-appropriate behavior remains major tool available to curtail the still escalating COVID-19 pandemic. This review provides an updated overview of various techniques of COVID-19 testing in human samples and also discusses, in brief, the biochemical composition and mode of transmission of the SARS-CoV-2. Technological advancement in various molecular, serological and immunological techniques including mainly the reverse-transcription polymerase chain reaction (RT-PCR), CRISPR, lateral flow assays (LFAs), and immunosensors are reviewed.
Entre vulnérabilité et résilience : le vécu de la pandémie de Covid-19 dans deux sociétés oasiennes du Maghreb
Authors: Ftouhi Hind , Saidani Mohamed Amine , Bossenbroek Lisa , Hamamouche Meriem Farah , Kadiri Zakaria
Published: July 2021

À partir de la mi-mars 2020, les gouvernements algérien et marocain ont instauré un confinement pour lutter contre la propagation de la pandémie de Covid-19. Cela s’est traduit par la fermeture des marchés locaux et des restrictions de mobilité. Le traitement médiatique et scientifique de l’impact de la pandémie a porté principalement sur les zones urbaines, laissant de côté les expériences des ruraux alors même que les mesures restrictives sont arrivées en pleine campagne agricole. Cet article vise à combler partiellement cette lacune en analysant comment les petits agriculteurs, femmes et hommes des oasis et des extensions oasiennes, les jeunes producteurs et les ouvriers de deux régions oasiennes du Maghreb, ont vécu ces nouveaux défis. Pour ce faire, nous nous appuyons sur 150 entretiens téléphoniques menés avec des acteurs ruraux dans les vallées du Drâa (Maroc) et du M’zab (Algérie). En mettant leurs expériences au cœur de notre analyse, nous montrons comment la crise sanitaire a limité la capacité de la majorité des petits agriculteurs à écouler leur production agricole, et comment elle a mis à l’épreuve la pluriactivité des familles oasiennes, les rendant ainsi plus vulnérables. Puis, nous décrivons comment ces acteurs ont développé différentes pratiques de résilience, individuelles et collectives, comme la mise en place d’un marché du travail virtuel pour remplacer les traditionnelsmoquefs(places de recrutement des ouvriers), la transition vers des pratiques agroécologiques, la réinvention de la solidarité et de l’action collective.
Improving road safety in small towns based on a systematic approach
Authors: Makarova Irina , Yakupova Gulnara , Mukhametdinov Eduard
Published: July 2021

Currently improving road safety is the priority task in the field of transport management. In our opinion, making management decisions to reduce the road accidents number and injuries rate should be based on a systematic approach to identifying the accidents’ causes and severity. This can be achieved using, among other things, the analysis of statistical data on violations and accidents in dynamics. A model so-called the Haddon Matrix was used as a method of preliminary identification of influencing factors and possible measures for their elimination. The statistical analysis results are presented a particular settlement. It was revealed that the city specifics, namely the residents’ number, motorization rate and the road network and infrastructure characteristics, are reflected in the factors affecting the level of accidents rate and, as a consequence, on the measures necessary to reduce it.
Models for selecting an effective order fulfilment
Authors: Shidlovskii Ivan
Published: July 2021

The problems of modelling cash flows are considered, which are determined by the procedures for optimising the order of execution of portfolio orders. The objective function assumes the maximisation of the average expected total income (accumulated on the deposit, taking into account the monetary amounts received from the implementation of portfolio orders) by a given point in time in the future. Considered approaches to the optimisation of such systems which allow taking into account: 1) the random nature of income from completed orders; 2) special additional costs, correlated both with the moment of the portfolio formation and with the moment of completion of order servicing.
Determination of the steady deceleration for vehicles category M1 depending on the type of tires
Authors: Evtykov Stanislav , Gladushevskiy Ilya
Published: July 2021

Tests of vehicles of category M1 were carried out when using the BRAKE TESTER descener model LWS models - 2 / MC on: dry asphalt concrete coating T = (0 ± 0.5) ͦ C; dry asphalt concrete coating T = (+17 ± 0.5) ͦ C; Rocherated snow coating T = (-15 ± 0.5) ͦ C; The calculation method is considered, the results obtained are analyzed.
Control system of temperature of locomotives traction frequency converters
Authors: Kosmodamianskiy Andrey , Pugachev Alexander , Strekalov Nikolay
Published: July 2021

The features of the control systems of temperature of the traction frequency converters consisted of rectifier, capacitor and voltage source inverter for traction rolling stock are discussed. The induction motor is considered as a load for traction frequency converter. The dependence of the number of thermal cycles from semiconductor junction temperature fluctuations before the failure of the semiconductor device are shown. The topology and operation principle of automatic temperature control system of voltage source inverter semiconductor devices of traction frequency converter are developed and described. The system is based on air forced cooling with the use of fan or blower as an executive regulation device. The main feature of the proposed system is the additional reference of switching frequency that allows to reduce the semiconductor temperature fluctuations. The elements of switching frequency control loop are chosen and evaluated, the recommendations on practical implementations are given. Simulation of automatic temperature control system in Matlab with both references of semiconductor junction temperature and its fluctuation was carried out with all essential nonlinearities of induction motors and semiconductor devices taken into account. Results of simulation are included and discussed.
Solving multi-level multiobjective fractional programming problem with rough interval parameter in neutrosophic environment
Authors: Ahmad Firoz , Ahmad Shafiq , Soliman Ahmed T. , Abdollahian Mali
Published: July 2021

In this study, a novel algorithm is developed to solve the multi-level multiobjective fractional programming problems, using the idea of a neutrosophic fuzzy set. The co-efficients in each objective functions is assumed to be rough intervals. Furthermore, the objective functions are transformed into two sub-problems based on lower and upper approximation intervals. The marginal evaluation of pre-determined neutrosophic fuzzy goals for all objective functions at each level is achieved by different membership functions, such as truth, indeterminacy/neutral, and falsity degrees in neutrosophic uncertainty. In addition, the neutrosophic fuzzy goal programming algorithm is proposed to attain the highest degrees of each marginal evaluation goals by reducing their deviational variables and consequently obtain the optimal solution for all the decision-makers at all levels. To verify and validate the proposed neutrosophic fuzzy goal programming techniques, a numerical example is adressed in a hierarchical decision-making environment along with the conclusions.
Multicenter, Observational Study of Lanreotide Autogel for the Treatment of Patients with Neuroendocrine Tumors in Routine Clinical Practice in Germany and Austria
Authors: Rinke Anja , Maintz Christoph , Müller Lothar , Weber Matthias M. , Lahner Harald , Pavel Marianne , Saeger Wolfgang , Houchard Aude , Ungewiss Hanna , Petersenn Stephan
Published: July 2021

Background The long-acting somatostatin analog lanreotide autogel is effective in the treatment of patients with neuroendocrine tumors.

Objective To evaluate the long-term treatment response in patients with neuroendocrine tumors receiving lanreotide autogel in routine clinical practice.

Methods Non-interventional, 24-month study in patients with neuroendocrine tumors treated with lanreotide autogel (NCT01840449).

Results Patients (n=80) from 26 centers in Germany and Austria were enrolled. Neuroendocrine tumors were mainly grade 1/2, metastasized, intestinal, and associated with carcinoid syndrome; 88.9% had received previous neuroendocrine tumor treatment. Of those, 84.4% had previous surgery, 18.7% had received octreotide. The primary endpoint, defined by a <50% chromogranin A increase at month 12 compared with the lowest value between baseline and month 3 was achieved by 89.5% patients. Stable disease according to Response Evaluation Criteria in Solid Tumors 1.1 was observed in 76.9 and 75.0% patients at months 12 and 24 of lanreotide treatment, respectively. Mean change of chromogranin A levels from baseline to month 24 was −0.12 × upper limit of normal (95% CI, −0.22; −0.45). In a post hoc analysis, 38.5% of the subgroup of patients with carcinoid syndrome had daily diarrhea at baseline vs. 21.4% at month 24. At baseline, 27.8% of patients received lanreotide 120 mg every 4 weeks vs. 56.7% at month 24. Quality of life data were heterogeneous. No new safety issues arose and/or required further investigation.

Conclusions Our study reflects routine lanreotide autogel use in patients with advanced/metastatic neuroendocrine tumors. This analysis shows effectiveness with stabilization of disease-related symptoms and good tolerability of lanreotide autogel in clinical practice.
Wie relevant ist das Wissen von Reinigungskräften über Patienten für die Pflege?
Authors: Frommer Anja
Published: July 2021

Reinigungskräfte auf psychiatrischen Stationen erhalten im täglichen Kontakt mit den Patienten häufig Informationen, die auch für Pflegende wertvoll sein könnten. Um welches Wissen es sich konkret handelt, wie damit umgegangen wird und ob es tatsächlich für den pflegerischen und therapeutischen Bereich relevant ist, untersuchte eine Studie.
Übersetzung und transkulturelle Adaptation des Prosthesis
Mobility Questionnaire 2.0 (PMQ) ins Deutsche und dessen Reliabilität
und Validität bei Patienten mit Majoramputation der unteren
Extremität
Authors: Ranker Alexander , Örgel Marcus , Schiller Jörg , Egen Christoph , Ranker Anna Helena , Greitemann Bernhard , Gutenbrunner Christoph
Published: July 2021

Ziel der Studie Das Ziel dieser prospektiven Validierungsstudie war es,
den Prosthesis Mobility Questionnaire 2.0 (PMQ) leitlinienkonform ins Deutsche
zu übersetzen und anschließend mittels Verfahren der klassischen
Test-Theorie auf Validität und Reliabilität zu
überprüfen.

Methodik Der PMQ wurde gemäß ISPOR-Leitlinien zweifach
vorwärts- und zweifach rückwärtsübersetzt und
mittels Pilottest (N=10) finalisiert. Anschließend erfolgte eine
Überprüfung der Gütekriterien an N=61 Patienten
mit unilateraler Majoramputation der unteren Extremität von März
2020 bis August 2020. Die konvergente Konstruktvalidität wurde mittels
der deutschen Version des Locomotor Capabilities Index-5 (LCI-5-D), dem
Rivermead Mobility Index (RMI), dem Timed up and go Test (TUG) sowie anhand der
Mobilitätsgrade ermittelt. Zur Überprüfung der internen
Konsistenz wurde Cronbachs Alpha berechnet sowie die Trennschärfe durch
Item-Skala-Korrelationen ermittelt. Die Test-Retest-Reliabilität wurde
mittels ICC (2,1) berechnet. Darauf aufbauend wurde die minimale detektierbare
Differenz berechnet.

Ergebnisse Der Übersetzungsprozess erforderte kleine
Änderungen nach dem Pilottest. Die Validierungsstudie wurde an
N=61 Patienten durchgeführt (56,59±13,16 Jahre,
m/w=38/23). Im Mittel konnte ein PMQ von
26,23±8,89 Punkten erreicht werden. Decken- oder Bodeneffekte zeigten
sich im Gesamtscore nicht. Die Konstruktvalidität zeigte starke positive
Korrelationen zum LCI-5-D (r=0,74, p<0,001), RMI (r=0,63
p<0,001) sowie Mobilitätsgraden (r=0,61
p<0,001). Ebenso eine moderate negative Korrelation zum TUG
(r=− 0,49, p<0,001). Die interne Konsistenz war
sehr gut (Cronbachs Alpha=0,95). Alle Items zeigten einen Wert
größer r=0,40 bei der Item-zu-Gesamtscore Korrelation.
Test-Retest-Reliabilität war mit einem ICC (2,1)=0,98 exzellent
bei einem Erhebungsintervall zwischen T0 und T1 von 3,2±2,83 Tagen.
Darauf aufbauend betrug die minimale detektierbare Differenz 3,40 Punkte.

Schlussfolgerung Die deutsche Version des Prosthesis Mobility
Questionnaire 2.0 ist ein valides und reliables
Selbsteinschätzungs-Instrument zur Messung der Mobilität und
Funktionsfähigkeit von Patienten mit Exoprothese bei unilateraler
Majoramputation der unteren Extremität. Es kann für den
deutschsprachigen Raum verwendet werden.
Continuous monitoring of colonoscopy performance in the Netherlands: first results of a nationwide registry
Authors: Nass Karlijn J. , van der Schaar Peter J. , van der Vlugt Manon , Ledeboer Michiel , van Esch Aura A. J. , van der Beek Sander , Lacle Miangela M. , van Leerdam Monique E. , Ouwendijk Rob J. T. , Spaander Manon C. W. , Wouters Michel W. J. M. , Fockens Paul , Dekker Evelien
Published: July 2021

Background To optimize colonoscopy quality, several performance measures have been developed. These are usually assessed without distinction between the indications for colonoscopy. This study aimed to assess the feasibility of linking two national registries (one for colonoscopy and one for adverse events of gastrointestinal endoscopies in the Netherlands), and to describe the results of colonoscopy quality per indication.

Methods This retrospective study was conducted with prospectively collected data of the Dutch Gastrointestinal Endoscopy Audit (DGEA) and the Dutch Registration of Complications in Endoscopy (DRCE). Data between 01–01–2016 and 01–01–2019 were analyzed. To calculate adverse event rates, data were linked at the level of endoscopy service.

Results During the 3-year study period, 266 981 colonoscopies were recorded in DGEA. Of all indications, cecal intubation rate was highest in fecal immunochemical test (FIT)-positive screening colonoscopies (97.1 %), followed by surveillance (93.2 %), diagnostic (90.7 %), and therapeutic colonoscopies (83.1 %). The highest rate of adequate bowel preparation was observed in FIT-positive screening colonoscopies (97.1 %). A total of 1540 colonoscopy-related adverse events occurred (0.58 % of all colonoscopies). Bleeding and perforation and rates were highest for therapeutic (1.56 % and 0.51 %, respectively) and FIT-positive screening (0.72 % and 0.06 %, respectively) colonoscopies. The colonoscopy-related mortality was 0.006 %.

Conclusion This study describes the first results of the Dutch national colonoscopy registry, which was successfully linked to data from the national registry for adverse events of gastrointestinal endoscopies. In this large dataset, performance varied between indications. Our results emphasize the importance of defining benchmarks per indication in future guidelines.
Convenient One-Pot Synthesis of 9H-Carbazoles by Microwave Irradiation Employing a Green Palladium-Based Nanocatalyst
Authors: Gerbino Darío C. , Steingruber H. Sebastián , Mendioroz Pamela , Volpe María A.
Published: July 2021

An efficient palladium-catalyzed tandem reaction for the one-pot synthesis of 9H-carbazoles under microwave irradiation is developed. This approach involves a sequential Buchwald–Hartwig amination and a direct arylation from affordable and inexpensive anilines and 1,2-dihaloarenes. For the development of this purpose, a novel and magnetically recoverable palladium nanocatalyst supported on a green biochar under ligand-free conditions is used. Compared to other existing palladium-based protocols, the present synthetic methodology shows a drastic reduction in reaction times and excellent compatibility with different functional groups allowing to obtain a small library of 9H-carbazoles in high yields and with good regioselectivity. This procedure represents the first example in the direct synthesis of carbazoles using a heterogeneous palladium nanocatalyst from commercial precursors. To examine the application of this protocol, a direct and scalable synthesis of the bioactive carbazole alkaloid clausenalene from commercially available starting materials is described.
Chimeric ALT Plus TFL Perforator Flap for Breast Reconstruction Post Radical Mastectomy with Large Skin Defect
Authors: Jaiswal Dushyant , Mantri Mayur Raman , Shankhdhar Vinay Kant , Wagh Snehjeet Hemant
Published: July 2021

A 17-year-old girl with large malignant phyllodes tumor of left breast underwent a radical mastectomy with large skin excision resulting in defect of 20 cm × 18 cm. Postoperative radiation therapy necessitated robust cover with flap. The challenge was compounded by her body habitus. Both abdomen and back were deficient as donor sites and a single-island anterolateral thigh (ALT) flap would need skin grafts, volume deficit withstanding. We harvested chimeric ALT plus tensor fascia lata (TFL) perforator free flap sparing all muscles and nerves. Microvascular anastomoses were done to the second internal mammary artery (IMA) perforator artery and vein. The donor site was closed primarily. The TFL flap territory recruited almost three times the volume of ALT territory and allowed us to create a matching breast mound in addition to covering the defect. She tolerated 40 Gy radiation well and doesn’t desire further augmentation. Consistency of ALT and TFL perforators makes this a replicable procedure.
Examination in the Time of COVID-19—MCh Plastic Surgery Examination: How Did We Do It?
Authors: Chauhan Shashank , Dash Suvashis , Ranjan Piyush , Singhal Maneesh
Published: July 2021

Background Many aspects of life have been changed, after the starting of the pandemic. Modifications and improvisation in our day-to-day activities is now a new norm. During the pandemic period, continuation academic activities and conductance of examination is difficult but essential. We are sharing our experience of conductance of MCh examination during the pandemic and preparations made. This article also discussed the future of surgical assessment examination, use of technology in surgical assessment changing times.

Methods Procedural flow of the examination, Logistics and arrangements were planned and checked. Reliability and validity of questions were maintained by providing a similar set of questions and stepwise objective assessment. Assessment and feedback by the examinees and examiners on the pattern and conductance of examination were assessed by a Likert scale.

Results We found, 73% agreed examination patterns were able to test the knowledge fairly. While 80 % believed the pattern was the same for all the candidates. All the stakeholders agreed the examination conducted in a Safe and stress-free atmosphere and use of technology helpful. Fifty- three % agreed the case scenarios correctly simulate the clinical presentations. Lastly, 66 % felt the examination process is adequate for summative assessment.

Conclusions It is vital to reflect regarding the need for a uniform module to handle changing scenarios keeping the integrity and quality of the examination. Interactive screen, mannequin, and 3D model will be useful in the examination. In future, standardized examination modules for the surgical trainees will be required to perform a comprehensive assessment.
A Never Described Variant of the Cervical Rib Causing Arterial Thoracic Outlet Syndrome: World's First Case
Authors: Kaderi Saif Abdeali A. , Shinde Pravin , Tilloo Raviraj , Chetan Sonewane , Dalal Tanvi , Vaghmare Sahil , Bhesaniya Dhaval , Shah Sulay , Rege Sameer
Published: July 2021

Cervical ribs, also known as Eve's ribs, are rare and found in 1% of population. They are more common in females and more common on right side. They are asymptomatic in 90% of cases. Cervical rib fused with transverse process of sixth vertebra is rarer. We present a case of dry gangrene of lateral three fingers with right radial and subclavian artery thrombosis with rest pain, due to right cervical rib fused with transverse process of sixth vertebra. After development of line of demarcation of the dry gangrene, patient was operated for excision of cervical rib and sixth cervical vertebral transverse process followed by Ray's amputation of right second finger. Postoperative course was uneventful. Patient was discharged with oral anticoagulation and a healthy wound in right hand.
Financial Inclusion and Household Welfare: An Entropy-Based Consumption Diversification Approach
Authors: Chakrabarty Manisha , Mukherjee Subhankar
Published: July 2021

State-led financial inclusion programmes have been implemented in many developing countries, but their effectiveness in raising welfare remains widely debated. In this article, we report evidence on this issue, against the backdrop of recent policy initiatives on financial inclusion in India. We employ Theil’s entropy-based index to estimate diversification in consumption expenditure, and use this as a measure of welfare. Using household-level panel data across all regions of the country, we find evidence that greater financial inclusion increases diversity in non-food items. Further, we also notice that there is a shift in consumption basket from food items to non-food items. These findings suggest an improvement in welfare for both rural as well as urban households.
The role of sub-surface hydrogen on CO2 reduction and dynamics on Ni(110): An ab initio molecular dynamics study
Authors: Allec Sarah I. , Nguyen Manh-Thuong , Rousseau Roger , Glezakou Vassiliki-Alexandra
Published: July 2021

The catalytic reduction in carbon dioxide is a crucial step in many chemical industrial reactions, such as methanol synthesis, the reverse water–gas shift reaction, and formic acid synthesis. Here, we investigate the role of bulk hydrogen, where hydrogen atoms are found deep inside a metal surface as opposed to subsurface ones, upon CO2 reduction over a Ni(110) surface using density functional theory and ab initio molecular dynamics simulations. While it has previously been shown that subsurface hydrogen stabilizes CO2 and can aid in overcoming reaction barriers, the role of bulk hydrogen is less studied and thus unknown with regard to CO2 reduction. We find that the presence of bulk hydrogen can significantly alter the electronic structure of the Ni(110) surface, particularly the work function and d-band center, such that CO2 adsorbs more strongly to the surface and is more easily reduced. Our results show an enhanced CO2 dissociation in the presence of bulk hydrogen, shedding light on a hitherto underappreciated mechanistic pathway for CO2 reduction on metal surfaces.
Neural evolution structure generation: High entropy alloys
Authors: Tetsassi Feugmo Conrard Giresse , Ryczko Kevin , Anand Abu , Singh Chandra Veer , Tamblyn Isaac
Published: July 2021

We propose a neural evolution structure (NES) generation methodology combining artificial neural networks and evolutionary algorithms to generate high entropy alloy structures. Our inverse design approach is based on pair distribution functions and atomic properties and allows one to train a model on smaller unit cells and then generate a larger cell. With a speed-up factor of ∼1000 with respect to the special quasi-random structures (SQSs), the NESs dramatically reduce computational costs and time, making possible the generation of very large structures (over 40 000 atoms) in few hours. Additionally, unlike the SQSs, the same model can be used to generate multiple structures with the same fractional composition.
Interfacial stiffness of nematic–smectic B interface in Gay–Berne liquid crystals using capillary wave theory
Authors: Kaur Jagroop , Deb Debabrata
Published: July 2021

The interfacial stiffness for nematic–smectic B (nm–smB) interface in a liquid crystalline (LC) material is calculated using Capillary Wave Theory (CWT) and molecular dynamics simulations. The Gay–Berne (GB) pair potential with parameters κ, κ′, μ, and ν equal to 3, 5, 2, and 1 is used to model the LC material. Using a smart three-step recipe, we have obtained an nm–smB phase coexistence in our simulations where the nm and smB directors are nearly parallel to each other and perpendicular to the interface normal. The density profiles are used to compute the nm–smB coexisting density range, the interfacial width, and its position. The smectic phase is differentiated from the nematic phase by using the local bond order parameter (q6q6), which has helped us to demonstrate that the interface is indeed rough. Finally, the interfacial stiffness of the nm–smB interface is computed by following the CWT analysis and is found to be γ̃nm−smB=0.39861kBT/σee2=0.04429/σss2, where σee and σss are the length and diameter of the GB LC particles.
Nonlinear waves in flexible mechanical metamaterials
Authors: Deng B. , Raney J. R. , Bertoldi K. , Tournat V.
Published: July 2021

Flexible mechanical metamaterials are compliant structures engineered to achieve unique properties via the large deformation of their components. While their static character has been studied extensively, the study of their dynamic properties is still at an early stage, especially in the nonlinear regime induced by their high deformability. Nevertheless, recent studies show that these systems provide new opportunities for the control of large amplitude elastic waves. Here, we summarize the recent results on the propagation of nonlinear waves in flexible elastic metamaterials and highlight possible new research directions.
Effect of magnetic field-dependent effective thermal conductivity of melted layer on nanosecond laser ablation of copper and formation of nanoparticles at atmospheric air pressure
Authors: Singh Khwairakpam Shantakumar , Sharma Ashwini Kumar
Published: July 2021

For a nanosecond laser ablation of metals, the key physical phenomena involved are thermal evaporation, melt ejection, instability of the molten metal, etc., which depend on the initial temperature evolution in the metal. Understanding the evolution of temperature of the metal needs an effective simulation. In the present paper, we report on the finite element method-based simulation of nanosecond laser ablation of copper in the absence and presence of the magnetic field. Our studies showed that the effective thermal conductivity of the melted layer on the copper surface in the presence of the magnetic field affects the viscosity of the layer, mass ablation rate, instability, and then particle formation. The calculations showed that the condensed nuclei of large critical size are produced in the magnetic field. It is attributed to an increase in the collision rate of plasma particles in the magnetically confined plasma. The simulations are in good agreement with the experimentally measured values.