bluuebunny/crossref_metadata_2025 huggingface dataset:
Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders
Authors: Ruf Sven , Rajagopal Sridharan , Kadnur Sanjay Venkatachalapathi , Hallur Mahanandeesha S. , Rani Shilpa , Kristam Rajendra , Swaminathan Srinivasan , Zope Bharat Ravindra , Gondrala Pavan Kumar , Swamy Indu , Putta V. P. Rama Kishore , Kandan Saravanan , Zech Gernot , Schreuder Herman , Rudolph Christine , Elvert Ralf , Czech Joerg , Birudukota Swarnakumari , Siddiqui M. Amir , Anand Niranjan Naranapura , Mane Vishal Subhash , Dittakavi Sreekanth , Suresh Juluri , Gosu Ramachandraiah , Ramesh Mullangi , Yura Takeshi , Dhakshinamoorthy Saravanakumar , Kannt Aimo
Published: September 2022

Nicotinamide N-methyltransferase (NNMT) is a metabolic regulator that catalyzes the methylation of nicotinamide (Nam) using the co-factor S-adenosyl-L-methionine to form 1-methyl-nicotinamide (MNA). Overexpression of NNMT and the presence of the active metabolite MNA is associated with a number of diseases including metabolic disorders. We conducted a high-throughput screening campaign that led to the identification of a tricyclic core as a potential NNMT small molecule inhibitor series. Elaborate medicinal chemistry efforts were undertaken and hundreds of analogs were synthesized to understand the structure activity relationship and structure property relationship of this tricyclic series. A lead molecule, JBSNF-000028, was identified that inhibits human and mouse NNMT activity, reduces MNA levels in mouse plasma, liver and adipose tissue, and drives insulin sensitization, glucose modulation and body weight reduction in a diet-induced obese mouse model of diabetes. The co-crystal structure showed that JBSNF-000028 binds below a hairpin structural motif at the nicotinamide pocket and stacks between Tyr-204 (from Hairpin) and Leu-164 (from central domain). JBSNF-000028 was inactive against a broad panel of targets related to metabolism and safety. Interestingly, the improvement in glucose tolerance upon treatment with JBSNF-000028 was also observed in NNMT knockout mice with diet-induced obesity, pointing towards the glucose-normalizing effect that may go beyond NNMT inhibition. JBSNF-000028 can be a potential therapeutic option for metabolic disorders and developmental studies are warranted.
Determination of pharmacokinetics and tissue distribution of a novel lutetium-labeled PSMA-targeted ligand, 177Lu-DOTA-PSMA-GUL, in rats by using LC–MS/MS
Authors: Song Chang Ho , Kim Kweon , Kang Eunhee , Jeong Bora , Lee Myung-Su , Jung Jiyoon , Kim Tae Hwan , Shin Soyoung , Shin Beom Soo
Published: September 2022

Prostate specific membrane antigen (PSMA) is known to be overexpressed in prostate cancer cells, providing as a diagnostic and therapeutic target for prostate cancer. A lutetium-labeled PSMA targeted ligand, 177Lu-DOTA-PSMA-GUL is a novel radiopharmaceutical, which has been developed for the treatment of prostate cancer. While the GUL domain of 177Lu-DOTA-PSMA-GUL binds to the antigen, the beta-emitting radioisotope, 177Lu-labeled DOTA, interacts with prostate cancer cells. However, the in vivo pharmacokinetics of intact 177Lu-DOTA-PSMA-GUL has never been characterized. This study aimed to evaluate the pharmacokinetics and tissue distribution of the radiopharmaceutical in rats by using its stable isotope-labeled analog, 175Lu-DOTA-PSMA-GUL. A sensitive liquid chromatography-tandem mass spectrometry (LC–MS/MS) analysis of 175Lu-DOTA-PSMA-GUL was developed and validated. Following intravenous injection, the plasma concentration–time profiles of 175Lu-DOTA-PSMA-GUL showed a multi-exponential decline with the average elimination half-life of 0.30 to 0.33 h. Systemic exposure increased with the dose and renal excretion is the major elimination route. Tissue distribution of 175Lu-DOTA-PSMA-GUL was most substantial in kidneys, followed by the prostate. The developed LC–MS/MS assay and the in vivo pharmacokinetic data of 175Lu-DOTA-PSMA-GUL would provide helpful information for further clinical studies to be developed as a novel therapeutic agent for prostate cancer.
Transformer based on channel-spatial attention for accurate classification of scenes in remote sensing image
Authors: Guo Jingxia , Jia Nan , Bai Jinniu
Published: September 2022

Recently, the scenes in large high-resolution remote sensing (HRRS) datasets have been classified using convolutional neural network (CNN)-based methods. Such methods are well-suited for spatial feature extraction and can classify images with relatively high accuracy. However, CNNs do not adequately learn the long-distance dependencies between images and features in image processing, despite this being necessary for HRRS image processing as the semantic content of the scenes in these images is closely related to their spatial relationship. CNNs also have limitations in solving problems related to large intra-class differences and high inter-class similarity. To overcome these challenges, in this study we combine the channel-spatial attention (CSA) mechanism with the Vision Transformer method to propose an effective HRRS image scene classification framework using Channel-Spatial Attention Transformers (CSAT). The proposed model extracts the channel and spatial features of HRRS images using CSA and the Multi-head Self-Attention (MSA) mechanism in the transformer module. First, the HRRS image is mapped into a series of multiple planar 2D patch vectors after passing to the CSA. Second, the ordered vector is obtained via the linear transformation of each vector, and the position and learnable embedding vectors are added to the sequence vector to capture the inter-feature dependencies at a distance from the generated image. Next, we use MSA to extract image features and the residual network structure to complete the encoder construction to solve the gradient disappearance problem and avoid overfitting. Finally, a multi-layer perceptron is used to classify the scenes in the HRRS images. The CSAT network is evaluated using three public remote sensing scene image datasets: UC-Merced, AID, and NWPU-RESISC45. The experimental results show that the proposed CSAT network outperforms a selection of state-of-the-art methods in terms of scene classification.
A (GCC) repeat in SBF1 reveals a novel biological phenomenon in human and links to late onset neurocognitive disorder
Authors: Khamse Safoura , Alizadeh Samira , Bernhart Stephan H. , Afshar Hossein , Delbari Ahmad , Ohadi Mina
Published: September 2022

The humanSBF1(SET binding factor 1) gene, alternatively known asMTMR5, is predominantly expressed in the brain, and its epigenetic dysregulation is linked to late-onset neurocognitive disorders (NCDs), such as Alzheimer’s disease. This gene contains a (GCC)-repeat at the interval between + 1 and + 60 of the transcription start site (SBF1-202 ENST00000380817.8). We sequenced theSBF1(GCC)-repeat in a sample of 542 Iranian individuals, consisting of late-onset NCDs (N = 260) and controls (N = 282). While multiple alleles were detected at this locus, the 8 and 9 repeats were predominantly abundant, forming > 95% of the allele pool across the two groups. Among a number of anomalies, the allele distribution was significantly different in the NCD group versus controls (Fisher’s exactp = 0.006), primarily as a result of enrichment of the 8-repeat in the former. The genotype distribution departed from the Hardy–Weinberg principle in both groups (p < 0.001), and was significantly different between the two groups (Fisher’s exactp = 0.001). We detected significantly low frequency of the 8/9 genotype in both groups, higher frequency of this genotype in the NCD group, and reverse order of 8/8 versus 9/9 genotypes in the NCD group versus controls. Biased heterozygous/heterozygous ratios were also detected for the 6/8 versus 6/9 genotypes (in favor of 6/8) across the human samples studied (Fisher’s exactp = 0.0001). Bioinformatics studies revealed that the number of (GCC)-repeats may change the RNA secondary structure and interaction sites at least across human exon 1. This STR was specifically expanded beyond 2-repeats in primates. In conclusion, we report indication of a novel biological phenomenon, in which there is selection against certain heterozygous genotypes at a STR locus in human. We also report different allele and genotype distribution at this STR locus in late-onset NCD versus controls. In view of the location of this STR in the 5′ untranslated region, RNA/RNA or RNA/DNA heterodimer formation of the involved genotypes and alternative RNA processing and/or translation should be considered.
Layer-dependent Schottky contact at van der Waals interfaces: V-doped WSe2 on graphene
Authors: Stolz Samuel , Kozhakhmetov Azimkhan , Dong Chengye , Gröning Oliver , Robinson Joshua A. , Schuler Bruno
Published: September 2022

Contacting two-dimensional (2D) semiconductors with van der Waals semimetals significantly reduces the contact resistance and Fermi level pinning due to defect-free interfaces. However, depending on the band alignment, a Schottky barrier remains. Here we study the evolution of the valence and conduction band edges in pristine and heavily vanadium (0.44%), i.e., p-type, doped epitaxial WSe2 on quasi-freestanding graphene (QFEG) on silicon carbide as a function of thickness. We find that with increasing number of layers the Fermi level of the doped WSe2 gets pinned at the highest dopant level for three or more monolayers. This implies a charge depletion region of about 1.6 nm. Consequently, V dopants in the first and second WSe2 layer on QFEG/SiC are ionized (negatively charged) whereas they are charge neutral beyond the second layer.
Antimicrobial poly(ionic liquid)-induced bacterial nanotube formation and drug-resistance spread
Authors: Mao Hailei , Guo Jiangna , Zhou Jiamei , Shi Jie , Cui Hengqing , Shi Rongwei , Yao Jieran , Fang Xia , Wang Bin , Yan Feng
Published: September 2022

Antimicrobial poly(ionic liquid) membranes are explored for stress effects on the formation of bacterial nanotubes along with the exchange of antibiotic resistance genes among intra/inter-species bacteria.
High-nuclear polyoxovanadates assembled from pentagonal building blocks
Authors: Zhang Ting , Hou Yuhan , Hou Baoshan , Zhao Liang , Wang Xinlong , Qin Chao , Su Zhongmin
Published: September 2022

Three new high-nuclear polyoxovanadates were constructed from pentagonal {WV5(PhPO3)5} molecular building blocks with different configurations.
Unique regioselectivity of the Pd-catalysed cross-dehydrogenative coupling reaction of simple polyaromatic hydrocarbons with polyfluoroarenes
Authors: Sato Ryota , Iida Tomoki , Kanbara Takaki , Kuwabara Junpei
Published: September 2022

A Pd-catalysed cross-dehydrogenative coupling reaction introduced two polyfluoroarenes into simple polyaromatic hydrocarbons at sterically favourable positions.
Structural insights into Nirmatrelvir (PF-07321332)-3C-like SARS-CoV-2 protease complexation: a ligand Gaussian accelerated molecular dynamics study
Authors: Wang Yeng-Tseng , Liao Jun-Min , Lin Wen-Wei , Li Chia-Ching , Huang Bo-Cheng , Cheng Tian-Lu , Chen Tun-Chieh
Published: September 2022

A ligand Gaussian accelerated molecular dynamics study to find out the four states (bound, intermediate-I, and intermediate-II and unbound) of Nirmatrelvir-3CLpro (SARS-CoV-2) complexation.
RBD spatial orientation of the spike protein and its binding to ACE2: insight into the high infectivity of the SARS-CoV-2 Delta variant from MD simulations
Authors: Lv Nan , Cao Zexing
Published: September 2022

RBDs have dual functional characteristics, binding ACE2 through its upstate and stabilizing other nearby upstate RBDs like a hand.
Photooxidation of PC60BM: new insights from spectroscopy
Authors: Brumboiu Iulia Emilia , Ericsson Leif K.E. , Blazinic Vanja , Hansson Rickard , Opitz Andreas , Brena Barbara , Moons Ellen
Published: September 2022

The combination of XPS, NEXAFS and FTIR spectroscopy with DFT calculations reveals clear fingerprints of the photooxidation products of PC60BM films under ambient conditions.
Stable catalysis of neutral silica-supported potassium lactate for vapour-phase dehydration of lactic acid to acrylic acid – critical role of the support
Authors: Huang Lin , Theng De Sheng , Zhang Lili , Chen Luwei , Wang Chuan , Gao Feng , Borgna Armando
Published: September 2022

Stable catalysis by potassium lactate for the vapour-phase dehydration of lactic acid to acrylic acid occurs over neutral KNO3/silica. Lactic acid is deemed to act both as the reactant and Brønsted acid that assists in the catalytic process in the absence of extra acid.
Efficient catalytic degradation of anhydride-cured epoxy resin by amphiphilic molecule catalysts
Authors: Zhang Ning , Wu Shaodi , Wang Chizhou , Cui Xiaojing , Zhao Ting , Yuan Liye , Qi Yongqin , Hou Xianglin , Jin Haibo , Deng Tiansheng
Published: September 2022

A novel strategy was proposed for the complete degradation of ACEP by an amphiphilic catalyst in water under mild conditions.
Expanding plastics recycling technologies: chemical aspects, technology status and challenges
Authors: Li Houqian , Aguirre-Villegas Horacio A. , Allen Robert D. , Bai Xianglan , Benson Craig H. , Beckham Gregg T. , Bradshaw Sabrina L. , Brown Jessica L. , Brown Robert C. , Cecon Victor S. , Curley Julia B. , Curtzwiler Greg W. , Dong Son , Gaddameedi Soumika , García John E. , Hermans Ive , Kim Min Soo , Ma Jiaze , Mark Lesli O. , Mavrikakis Manos , Olafasakin Olumide O. , Osswald Tim A. , Papanikolaou Konstantinos G. , Radhakrishnan Harish , Sanchez Castillo Marco Antonio , Sánchez-Rivera Kevin L. , Tumu Khairun N. , Van Lehn Reid C. , Vorst Keith L. , Wright Mark M. , Wu Jiayang , Zavala Victor M. , Zhou Panzheng , Huber George W.
Published: September 2022

This paper reviewed the entire life cycle of plastics and options for the management of plastic waste to address barriers to industrial chemical recycling and further provide perceptions on possible opportunities with such materials.
Determination of La in ore using laser-induced breakdown spectroscopy combined with laser-induced fluorescence and standard addition method
Authors: Li Jiangtao , Tang Zhiyang , Hao Zhongqi , Huang Zhijie , Zhu Chenwei , Li Qingzhou , He Bing , Chen Ji , Li Xiangyou
Published: September 2022

LIBS-LIF combined with SAM was used to reduce the self-absorption effect and matrix effect to achieve accurate determination of La in rare earth ore.
On-demand liquid microlens arrays by non-contact relocation of inhomogeneous fluids in acoustic fields
Authors: Gao Xiaoqi , Hu Xuejia , Zheng Jingjing , Hu Qinghao , Zhao Shukun , Chen Longfei , Yang Yi
Published: September 2022

A tunable and on-demand liquid microlens array was created contactlessly by different distributions of miscible liquids in an acoustic standing wave field.
Perspective on the scintillating response of CdSe based nanoplatelets heterostructures
Authors: Meng Zhu , Mahler Benoit , Houel Julien , Kulzer Florian , Vasil'ev Andrey , Dujardin Christophe
Published: September 2022

We explore the effect of shell thickness on the time and spectral response of CdSe/CdS core–crown and CdSe/CdZnS core–shell nanoplatelets (NPLs) under X-ray and intense optical excitation.
Mesoporous β-Ag2MoO4 nanopotatoes as supercapacitor electrodes
Authors: William J. Johnson , Balakrishnan Saravanakumar , Murugesan Mariyappan , Gopalan Muralidharan , Britten Allen J. , Mkandawire Martin
Published: September 2022

A growing quest for supercapacitors capable of quickly transferring energy has led to investigations focusing on developing electrode materials that incorporate noble metals due to their superior electrical conductivity.
Selenium-based nanomaterials for biosensing applications
Authors: Mostafavi Ebrahim , Medina-Cruz David , Truong Linh B. , Kaushik Ajeet , Iravani Siavash
Published: September 2022

The unique chemical and physical features of selenium nanomaterials make them ideal for developing new and better sensing devices, particularly biosensors.
Deformable bi-compartmental particles and their application in controlling electric conductivity
Authors: Zhang Qiang , Yang Yafei , Yan Huijuan , Liu Jiguang
Published: September 2022

The electric conductivity of deformable bi-compartmental particles depends on the ratio of their swelling compartment and their orientation.
Zinc-doped hydroxyapatite and graphene oxide composites for bone and teeth implants: a theoretical understanding
Authors: Song Oliver , Luo Xuan
Published: September 2022

Zinc-doped hydroxyapatite is selective towards graphene oxide and prefers an oxygen concentration of 6.25%.
A mixed catalyst prepared by mechanically milling VW/TiO2 and low content of Pt/Al2O3 for SCO of high-concentration NH3
Authors: Gao Yu , Han Zhitao , Cheng Shaosi , Xu Duo , Pan Xinxiang
Published: September 2022

The combination of NH3 oxidation and NH3-SCO reaction made Pt0.01@VW catalyst exhibited excellent NH3-SCO performance and very low Pt content.
In situ growth of CoO nanosheets on a carbon fiber derived from corn cellulose as an advanced hybrid anode for lithium-ion batteries
Authors: Yuan Yuan , Li Haibo
Published: September 2022

A facile method is proposed to prepare CoO/carbon fiber (CoO/CF) hybrids by employing corn cellulose as the biocarbon source for high-performance lithium ion batteries.
Ferroelectric-assisted charge carrier separation over Bi2MoO6 nanosheets for photocatalytic dye degradation
Authors: Hui Kezhen , Dai Fanqi , Guo Limin , Li Longtu , Wang Xiaohui
Published: September 2022

Internal ferro-field and oxygen vacancies synergistically enhance photocatalytic efficiency.
Rhodium(i)-catalyzed directed trideuteromethylation of (hetero)arene C–H bonds with CD3CO2D
Authors: Zhao Haoqiang , Zeng Qi , Yang Ji , Xu Bing , Lei Haimin , Xu Lijin , Walsh Patrick J.
Published: September 2022

A Rh(i)-catalyzed trideuteromethylation of heteroarenes with inexpensive and readily available deuterated acetic acid (CD3CO2D) with the aid of aN-containing directing groups is developed.
Nanocage-based {In2Tm2}-organic framework for efficiently catalyzing the cycloaddition reaction of CO2 with epoxides and Knoevenagel condensation
Authors: Lv Hongxiao , Chen Hongtai , Hu Tuoping , Zhang Xiutang
Published: September 2022

The combination of [In2Tm2(μ2-OH)2(CO2)10(H2O)2] clusters and H5BDCP ligand generated a highly robust nanoporous MOF with high catalytic performance in the cycloaddition reaction of epoxides with CO2 and Knoevenagel condensation.
Constructing layered double hydroxide derived heterogeneous Ti3C2Tx@S–MCoP (M = Ni, Mn, Zn) with S-vacancies to boost sodium storage performance
Authors: Li Qun , Jiao Qingze , Li Huanjun , Yan Yu , Lu Chengxing , Shen Xueran , Gu Tingting , Zhou Wei , Zhao Yun , Li Hansheng , Feng Caihong
Published: September 2022

The hollow Ti3C2Tx@S–NiCoP composites were prepared through a stepwise strategy, which exhibited enhanced sodium storage performance due to the unique structural merits and interfacial interactions.
Significantly (00l)-textured Ag2Se thin films with excellent thermoelectric performance for flexible power applications
Authors: Zheng Zhuang-Hao , Li Yi-Liu , Niu Jun-Yu , Wei Meng , Zhang Dong-Liang , Zhong Yi-ming , Nisar Mohammad , Abbas Adeel , Chen Shuo , Li Fu , Liang Guang-Xing , Fan Ping , Chen Yue-Xing
Published: September 2022

A flexible n-type Ag2Se thin film with a high power factor (PF) of 21.6 μW cm−1 K−2 and a ZT value over 0.6 was successfully prepared by a facile self-assembled growth method.
Anticoagulation polyvinyl chloride extracorporeal circulation catheters for heparin-free treatment
Authors: Liu Yang , Han Qiu , Li Guiliang , Lin Haibo , Liu Fu , Li Qiang , Deng Gang
Published: September 2022

Extracorporeal circulation (ECC) catheters have potential to be blood compatible and could be used to prevent thrombotic occlusion.
Tailoring head–tail mesoporous silica nanoparticles for enhanced gene transfection
Authors: Wu Weixi , Ngo Anh , Ban Wenhuang , Zhong Yuening , Cheng Dan , Gu Zhengying , Yu Chengzhong , Song Hao
Published: September 2022

Asymmetric silica nanoparticles featuring a unique head–tail morphology are engineered for efficient gene transfection with the impact of particle tail length on DNA delivery studied, guiding rational design of asymmetric non-viral gene vectors.
Efficient pure near-infrared organic light-emitting diodes based on tris(2,4,6-trichlorophenyl)methyl radical derivatives
Authors: Ding Junshuai , Dong Shengzhi , Zhang Ming , Li Feng
Published: September 2022

An OLED based on TTM-3PDMAC achieved a maximum external quantum efficiency (EQE) of 3.1% with an emission peak at 830 nm.
CO in the ALMA Radio-source Catalogue (ARC): The molecular gas content of radio galaxies as a function of redshift
Authors: Audibert A. , Dasyra K. M. , Papachristou M. , Fernández-Ontiveros J. A. , Ruffa I. , Bisigello L. , Combes F. , Salomé P. , Gruppioni C.
Published: September 2022

To evaluate the role of radio activity in galaxy evolution, we designed a large archival CO survey of radio galaxies (RGs) to determine their molecular gas masses at different epochs. We used a sample of 120 RGs representative of the NVSS 1.4 GHz survey, when flux limited at 0.4 Jy. Of those, 66 galaxies belonged to the ALMA Radio-source Catalogue (ARC) of calibrators and had spectral window tunings around CO (1–0), (2–1), (3–2), or (4–3). We reduced their ALMA data, determined their H2 mass contents, and combined the results with similar results for the remaining 54 galaxies from the literature. We found that, while at all epochs the majority of RGs have undetectable reservoirs, there is a rapid increase in the H2 mass content of the CO-detected RGs with z. At 1 < z < 2.5, one-fourth of the RGs have at least as much molecular gas as simulations would indicate for a typical halo mass of that epoch. These galaxies plausibly have “normal” or even starbursty hosts. Overall, reservoirs of 107 ≲ MH2 ≲ 1010 M⊙ are seen at z < 0.3, and 1010 ≲ MH2 ≲ 1012 M⊙ at z> 1. Taking into account the completeness correction of the sample, we created the corresponding H2 mass functions at 0.005 < z < 0.3 and 1 < z < 2.5. The local mass function reveals that the number density of low-z RGs with detectable molecular gas reservoirs is only a little lower (a factor of ∼4) than that of pure (or little star-forming) type 1 and 2 AGN in simulations. At 1 < z < 2.5, there is a significant decrease in the number density of high-z RGs due to the rarity of bright radio galaxies. An estimate for the missing faint RGs would, nonetheless, bring populations close again. Finally, we find that the volume density of molecular gas locked up in the brightest 1/5000–1/7000 RGs is similar in the examined z bins. This result likely indicates that the inflow rate on one hand and the star-formation depletion rate plus the jet-driven expulsion rate on the other hand counteract each other in the most luminous RGs of each epoch.
A self-consistent dynamical model of the Milky Way disc adjusted toGaiadata
Authors: Robin A. C. , Bienaymé O. , Salomon J. B. , Reylé C. , Lagarde N. , Figueras F. , Mor R. , Fernández-Trincado J. G. , Montillaud J.
Published: September 2022

Context.Accurate astrometry achieved byGaiafor many stars in the Milky Way provides an opportunity to reanalyse the Galactic stellar populations from a large and homogeneous sample and to revisit the Galaxy gravitational potential.

Aims.This paper shows how a self-consistent dynamical model can be obtained by fitting the gravitational potential of the Milky Way to the stellar kinematics and densities fromGaiadata.

Methods.We derived a gravitational potential using the Besancon Galaxy Model, and computed the disc stellar distribution functions based on three integrals of motion (E,Lz,I3) to model stationary stellar discs. The gravitational potential and the stellar distribution functions are built self-consistently, and are then adjusted to be in agreement with the kinematics and the density distributions obtained fromGaiaobservations. A Markov chain Monte Carlo (MCMC) is used to fit the free parameters of the dynamical model toGaiaparallax and proper motion distributions. The fit is done on several sets ofGaiadata, mainly a subsample of the GCNS (Gaiacatalogue of nearby stars to 100 pc) withG < 17, together with 26 deep fields selected from eDR3, widely spread in longitudes and latitudes.

Results.We are able to determine the velocity dispersion ellipsoid and its tilt for subcomponents of different ages, both varying withRandz. The density laws and their radial scale lengths for the thin and thick disc populations are also obtained self-consistently. This new model has some interesting characteristics that come naturally from the process, such as a flaring thin disc. The thick disc is found to present very distinctive characteristics from the old thin disc, both in density and kinematics. This lends significant support to the idea that thin and thick discs were formed in distinct scenarios, as the density and kinematics transition between them is found to be abrupt. The dark matter halo is shown to be nearly spherical. We also derive the solar motion with regards to the Local Standard of Rest (LSR), findingU⊙= 10.79 ± 0.56 km s−1,V⊙= 11.06 ± 0.94 km s−1, andW⊙= 7.66 ± 0.43 km s−1, in close agreement with recent studies.

Conclusions.The resulting fully self-consistent gravitational potential, still axisymmetric, is a good approximation of a smooth mass distribution in the Milky Way and can be used for further studies, including finding streams, substructures, and to compute orbits for real stars in our Galaxy.
High efficiency microwave shielding films based on carbon fibre and ITO/Ag/Fe2O3hybrid polymer composites
Authors: Merizgui Tahar , Gaoui Bachir , Hadjadj Abdechafik , Kious Mecheri
Published: September 2022

Hybrid polymer composites represent a new class of materials that have unique combination of magnetic, electrical, dielectric, and mechanical properties, which are applicable for funnel of electromagnetic (EM) noises. In this study, we present a process for scalable composition of Silane grafted epoxy composites through adding carbon fibre (CF)/iron (III) oxide (Fe2O3)/indium tin oxide (ITO) nano particles and a designed grid of appropriately sized metal streaks along E-glass fiber (eGF), and report on the electromagnetic interference shielding effectiveness (EMI SE) with mechanical properties of composites. The examined ribbon shield detect a good total EMI SE of SET (∼78 dB) at a different thickness of 2–2.5 and 3 mm in the ‘E, F, I, and J’ band frequency. In an analogous fashion, the reinforcement grid approach relies on the periodic sizing to manage the equilibrium between incoming wave from outside world and shielding efficiency of proposed composites. We provide a solution by creating a new concept of a hybrid shield, whose SE can be varied in situ depending on the EM context due to the used high filler content, whose SE can dynamically and institute be modified via the concept of reinforcement.
Computer technologies for forming professional competences in Applied mathematics
Authors: Rybakov Konstantin , Vinogradov Vladimir , Volkova Tatyana
Published: September 2022

The article is devoted to the use of computer technologies for forming the professional competences. We describe the study of basic and special courses for bachelor’s or master’s degrees in the field “Applied mathematics” at the Moscow Aviation Institute (National Research University). All kinds of practices during the study are considered. The continuous forming technology of professional competences at each stage of study with using the computer technologies is shown.
Image-based simulation of dispersed composites and porous rocks
Authors: Sheshenin Sergey , Artamonova Nina , Klement’ev Peter , Orlov Egor , Frolova Julia
Published: September 2022

The article presents the results of numerical simulation of the effective elastic properties and stress concentration of the dispersed composite and porous rocks as well as the elastoplastic diagrams of tensile stress of the B4C/2024Al composite using asymptotic averaging method. 2D and 3D simulations of uniaxial tension was carried out using the image-based models of the real structure obtained by X-ray tomography. We also used model structures of the B4C/2024Al composite, consisting of an aluminum matrix with boron carbide inclusions in the form of ellipsoids with a random orientation. It turned out that in the elastic region 3D real structure and 3D ellipsoidal structure lead to the same effective moduli. On contrary, the stress concentrations are much higher in the real structure model than in the model of ellipsoidal inclusions. Also, two types of the models behave completely differently in the plastic region. Comparison of 2D and 3D calculations with experimental data shows that 2D models can be also used for determining the effective elastic moduli of B4C/2024Al composite, but the use of 3D models is preferable for porous geomaterials and dispersed composites.
In vivo computer-aided diagnosis of colorectal polyps using white light endoscopy
Authors: García-Rodríguez Ana , Tudela Yael , Córdova Henry , Carballal Sabela , Ordás Ingrid , Moreira Leticia , Vaquero Eva , Ortiz Oswaldo , Rivero Liseth , Sánchez F. Javier , Cuatrecasas Miriam , Pellisé Maria , Bernal Jorge , Fernández-Esparrach Glòria
Published: September 2022

Background and study aims Artificial intelligence is currently able to accurately predict the histology of colorectal polyps. However, systems developed to date use complex optical technologies and have not been tested in vivo. The objective of this study was to evaluate the efficacy of a new deep learning-based optical diagnosis system, ATENEA, in a real clinical setting using only high-definition white light endoscopy (WLE) and to compare its performance with endoscopists.

Methods ATENEA was prospectively tested in real life on consecutive polyps detected in colorectal cancer screening colonoscopies at Hospital Clínic. No images were discarded, and only WLE was used. The in vivo ATENEA’s prediction (adenoma vs non-adenoma) was compared with the prediction of four staff endoscopists without specific training in optical diagnosis for the study purposes. Endoscopists were blind to the ATENEA output. Histology was the gold standard.

Results Ninety polyps (median size: 5 mm, range: 2–25) from 31 patients were included of which 69 (76.7 %) were adenomas. ATENEA correctly predicted the histology in 63 of 69 (91.3 %, 95 % CI: 82 %–97 %) adenomas and 12 of 21 (57.1 %, 95 % CI: 34 %–78 %) non-adenomas while endoscopists made correct predictions in 52 of 69 (75.4 %, 95 % CI: 60 %–85 %) and 20 of 21 (95.2 %, 95 % CI: 76 %–100 %), respectively. The global accuracy was 83.3 % (95 % CI: 74%–90 %) and 80 % (95 % CI: 70 %–88 %) for ATENEA and endoscopists, respectively.

Conclusion ATENEA can accurately be used for in vivo characterization of colorectal polyps, enabling the endoscopist to make direct decisions. ATENEA showed a global accuracy similar to that of endoscopists despite an unsatisfactory performance for non-adenomatous lesions.
Die Anästhesiepflege im Schockraum – eine leitlinienorientierte Aufgabenbeschreibung
Authors: Thomas-Krause Paul-Björn
Published: September 2022

Die Arbeit im Schockraum ist eine inter- und multidisziplinäre Aufgabe, die durch schnelles, kooperatives und professionelles Handeln geprägt sein sollte. Ein wichtiger Teil dieses multidisziplinären Teams ist die Anästhesie und im Speziellen die Anästhesiepflege. In diesem Artikel sollen mögliche Aufgaben dieser Profession beim täglichen Handeln im Schockraum orientiert an aktuellen Leitlinien näher erläutert werden.
Behandlungspfad für die außerklinische Intensivpflege
Authors: Jauernig Michaela , Klingshirn Hanna , Reuschenbach Bernd
Published: September 2022

Die Richtlinie über die Verordnung von außerklinischer Intensivpflege (AKI-RL) zur Umsetzung des Intensivpflege- und Rehabilitationsstärkungsgesetzes (GKV-IPReG) verändert die Versorgungssituation von beatmeten Menschen in der außerklinischen Intensivpflege in Deutschland. Der vorgestellte Behandlungspfad greift die neuen Vorgaben der AKI-RL auf und soll zur Orientierung und Qualitätssicherung in der außerklinischen Intensivpflege beitragen. Zudem werden die Auswirkungen des GKV-IPReGs anhand von Fallbeispielen kritisch beleuchtet.
Down-Syndrom und Alzheimer-Demenz
Authors: Wallesch Claus-W.
Published: September 2022

Die Lebenserwartung von Menschen mit Down-Syndrom ist in den letzten Jahrzehnten
deutlich gestiegen und beträgt aktuell etwa 60 Jahre 1. In Deutschland leben etwa 50.000 Menschen mit
Trisomie 21. Da das Amyloid Precursor Protein Gen sich auf Chromosom 21 befindet,
haben Menschen mit Down-Syndrom ein hohes Risiko, an einer Alzheimer-Demenz zu
erkranken. In einer Längsschnittstudie waren 23% der
(überlebenden) Menschen mit Down-Syndrom mit 50 Jahren, 45% mit 55
Jahren und 88% mit 65 Jahren an Demenz erkrankt 2. Menschen mit Down Syndrom machen einen großen Teil
präseniler Alzheimer-Erkrankungen aus. Histologisch finden sich
Amyloidablagerungen bei praktisch allen Menschen mit Down-Syndrom ab dem 30.
Lebensjahr 3.
Histological assessment of new cholangioscopy-guided forceps in ERCP biliary stricture sampling: a blinded comparative study
Authors: Vargas Eric J. , Wang Yaohong , Chen Zongming Eric , Abusaleh Rami , Storm Andrew C. , Martin John A. , Law Ryan J. , Dayyeh Barham K. Abu , Levy Michael J. , Petersen Bret , Chandrasekhara Vinay
Published: September 2022

Background and study aims Obtaining quality tissue during ERCP biliary stricture sampling is of paramount importance for a timely diagnosis. While single-operator cholangioscopy (SOC)-guided biopsies have been suggested to be the superior biliary tissue acquisition modality given direct tissue visualization, less is known about the specimen histological quality. We aimed to analyze the specimen quality of SOC biopsies and compare the new generation forceps with prior “legacy” forceps.

Patients and methods Patients who underwent SOC from January 2017-August 2021 for biliary sampling were reviewed. In February 2020, the SOC-guided biopsy forceps were changed from legacy SpyBite to the SpyBite Max forceps (max). Specimens were assessed by blinded pathologists for crush artifact (none, mild, or severe) and gross size (greatest dimension in mm). Crush artifact and gross size were compared between the two groups. The diagnostic performance characteristics for cholangiocarcinoma (CCA), were assessed in an exploratory fashion.

Results Eighty-one patients (max = 27, legacy = 54) with similar baseline characteristics were included in this study. On blinded pathological assessment, 58 % had crush artifact, without significant differences between the two groups (Max 63 % vs. Legacy 56 %; P = 0.64). A similar mean specimen size was found (max 3 mm vs. legacy 3.2 mm; P = 0.24). The overall prevalence of CCA was 40 %. The sensitivity, specificity, positive predictive value, and negative predictive value of the entire cohort using a combination of cytology, fluorescence in situ hybridization, and SOC-guided biopsies were 78.1 %, 91.8 %, 86.2 %, and 86.5 %, respectively. No difference between legacy or max groups was found.

Conclusions A high rate of crush artifact was found in SOC-guided biopsy specimens. Further investigation regarding proper biopsy technique and handling is necessary to increase the diagnostic yield with SOC-guided biopsies.
No relation between adenosine triphosphate after manual cleaning and presence of microorganisms on endoscopes after automated high-level disinfection
Authors: Vos Margreet C. , Bruno Marco J. , Kwakman Judith A. , Rauwers Arjan W. , Buijs Jolanda G. , de Groot Woutrinus
Published: September 2022

Background and study aims Adenosine triphosphate (ATP) tests are increasingly used to detect biological material; however, their reliability to detect bacterial contamination in endoscopes is not proven. We investigated the predictive value of ATP tests after manual cleaning for presence or absence of microorganisms as shown by culture after automated high-level disinfection (HLD) in duodenoscopes and linear echoendoscopes (DLEs).

Patients and methods After manual cleaning, ATP tests were performed on swab samples taken from the detachable cap and forceps elevator, and on flush samples of the DLE working channels. These results were compared to the growth of any microorganisms in cultures acquired after automated HLD. ATP tests with > 200 relative light units (RLU) were considered positive. Receiver operator characteristic (ROC) curves were used to compare the RLU levels with microbial presence in cultures.

Results In total, 903 procedures were performed involving 26 distinct DLEs. Depending on sample site, 20.8 % (cap) to 63.8 % (channel brush) of the ATP negative samples were accompanied by positive post-HLD cultures. 54.4 % of the cap samples with a positive culture (growth of any kind of microorganism) and 91.8 % of the channel samples with a positive culture had a negative ATP test after manual cleaning. ROC curves per sample site, DLE type and microorganism type all had area under the curves below 0.6.

Conclusions In our study, ATP tests performed after manual cleaning could not predict presence or absence of microorganisms after automated HLD as shown by culture. More than half of the positive cultures were preceded by a negative ATP test.
Effect of Intense Pulsed Light to Mitigate Meibomian Gland Dysfunction for Dry Eye Disease
Authors: Suwal Abhishek , Hao Jilong , Liu Xiufen , Zhou Dandan , Jia Zhifang , Liu Hongwei , Ren Yu , Shao Fei , Lu Chengwei
Published: September 2022

Background This retrospective study aimed to evaluate the effect of intense pulsed light treatment (IPL) combined with meibomian gland expression (MGX) in treating meibomian gland
dysfunction (MGD) related dry eye disease (DED) for the first time in Northeast China.

Methods Thirty-one MGD-related dry eye patients were managed by IPL-MGX from October to December 2019 in The First Hospital of Jilin University. Those patients had single IPL-MGX
treatment with one follow-up visit, and no topical eye drops used were included in the study. General checkup and data collection helped in determining the age, sex, diagnosis, status of the
MG, first noninvasive tear break-up time (1st NIBUT), average NIBUT, the height of tear film, and additional medical history.

Results There was an improvement in the function of the meibomian gland (MG), with a significant decrease in the MG dropouts in the upper eyelid (Rt eye, p = 0.0047; Lt eye,
p = 0.0158) and lower eyelid (Rt eye, p = 0.0017; Lt eye, p = 0.0027) plus the average NIBUT (Rt eye, p = 0.0264) also showed improvement after the IPL-MGX treatment. Though no significant
difference was reached with the average NIBUT of the Lt eye (p = 0.5256) and the NIBUT grade (Rt eye, p = 0.0578; Lt eye, p = 0.0588), there was an increased duration of the average NIBUT
and improved NIBUT grading. The negative results may be because of the maximum severity of DED and the limited treatment times.

Conclusions The result suggests that IPL-MGX was effective in treating MGD-related DED.
Photocatalytic Desulfonylative Homocoupling of Benzylic Sulfone Derivatives
Authors: Nambo Masakazu , Crudden Cathleen M. , Ohkura Ryusei , Ohtsuka Motoo , Yim Jacky C.-H.
Published: September 2022

A desulfonylative homocoupling of benzylic sulfone derivatives through a photoredox Ir catalyst is described. The 3,5-bis(trifluoromethyl)phenyl group is an effective substituent on sulfonyl group in this reaction, providing the structurally diverse multiply arylated ethanes in good yields. The α-deuterated or α-fluorinated sulfones, which can be readily prepared by α-functionalization, were also applicable, highlighting an avenue to synthesize medicinally important structures.
Miss Katie Clark: Pioneer of Standardization of Radiographic Projections
Authors: Sudo-Szopińska Iwona , Cassar-Pullicino Victor , Panas-Goworska Marta
Published: September 2022

This history page in the series “Leaders in MSK radiology” is dedicated to the memory and achievements of the British radiographer Kathleen C. Clark, recognized as a pioneer of standardization of radiographic projections.
The Great Mimickers of Spinal Pathology
Authors: Farshad-Amacker Nadja A. , Sutter Reto
Published: September 2022

Back pain is one of the leading causes of health costs worldwide, particularly because of the further increased aging population. After clinical examination, spinal imaging is of utmost importance in many patients to reach the correct diagnosis. There are many imaging pitfalls and mimickers of spinal pathology on radiographs, magnetic resonance imaging, and computed tomography. These mimickers may lead to a misdiagnosis or a further imaging work-up if they are not recognized and thus lead to unnecessary examinations and increased health care costs. In this review we present the common mimickers of spinal pathology and describe normal variations when reading imaging studies of the spine.
Comparison between Insulin Glargine and Insulin Detemir in Adolescents with Type 1 Diabetes during Ramadan Fasting
Authors: Kaplan Walid , Afandi Bachar , Al Hassani Noura
Published: September 2022

Objectives The aim of this study was to compare between insulin glargine and insulin detemir on glucose profile in adolescents with type 1 diabetes mellitus (T1DM) who fast the month of Ramadan.

Materials and Methods This was prospective, cross-over study. Subjects were randomized into Group G, in which insulin glargine was given once daily, and Group D, in which ⅔ of the total dose of insulin detemir was given before breaking the fast and ⅓ before starting it. Subjects were crossed-over after 1 week. We compared the mean interstitial glucose (IG), and the percentages of hypoglycemia (<70mg/dL) and severe hyperglycemia (>300mg/dL) between the groups.

Results A total of 11 adolescents were enrolled. Mean (±standard deviation) age was 14±3.3 years. There was no difference in the mean IG (190±46 vs. 198±37mg/dL, p=0.1), or the percentages of severe hyperglycemia (13.5±12.9% vs. 13.6±9.2%, p=0.5) in group G and Group D, respectively. Conversely, the percentage of hypoglycemia was higher in Group G than Group D (9.1±7.0% vs. 4.4±2.7%, respectively, p=0.01).

Conclusion Insulin detemir given twice daily results in less hypoglycemia than once daily insulin glargine in adolescents with T1DM during fasting in Ramadan.
Imaging of Common Spinal Cord Diseases
Authors: Russo Camilla , Muto Gianluca , Giordano Flavio , Masala Salvatore , Muto Mario
Published: September 2022

Spinal cord evaluation is an integral part of spine assessment, and its reliable imaging work-up is mandatory because even localized lesions may produce serious effects with potentially irreversible sequelae. Spinal cord alterations are found both incidentally during spine evaluation in otherwise neurologically asymptomatic patients or during neurologic/neuroradiologic assessment in myelopathic patients. Myelopathy (an umbrella term for any neurologic deficit that refers to spinal cord impairment) can be caused by intrinsic lesions or extrinsic mechanical compression, and its etiology may be both traumatic and/or nontraumatic. The symptoms largely depend on the size/extension of lesions, ranging from incontinence to ataxia, from spasticity to hyperreflexia, from numbness to weakness. Magnetic resonance imaging is the reference imaging modality in spinal cord evaluation, ensuring the best signal and spatial resolution. We provide an overview of the most common spinal cord disorders encountered by radiologists and describe the technical measures that offer optimal spinal cord visualization.
The Adolescent Spine
Authors: Simoni Paolo , Negro Giulia , Moeremans Marine , Leucio Alessandro De
Published: September 2022

Adolescent idiopathic scoliosis (AIS) is the most characteristic disorder of the adolescent spine. It is a three-dimensional (3D) disorder that occurs from 10 years of age and comprises 90% of all idiopathic scolioses. Imaging plays a central role in the diagnosis and follow-up of patients with AIS. Modern imaging offers 3D assessment of scoliosis with less radiation exposure. Imaging helps rule out occult conditions that cause spinal deformity. Various imaging methods are also used to assess skeletal maturity in patients with AIS, thus determining the growth spurt and risk of progression of scoliosis. This article provides a brief overview of the pathophysiology, biomechanics, clinical features, and modern imaging of AIS relevant to radiologists in clinical settings.
Community-oriented engineering co-design: case studies from the Peruvian Highlands
Authors: Andía Diego , Charca Samuel , Reynolds-Cuéllar Pedro , Noel Julien
Published: September 2022

The goal of an engineer’s career is solving real problems for social and ecological betterment. At the University of Engineering and Technology (UTEC) in Lima, Peru, this vision is promoted from the earliest stages of a student’s engineering career to enable them to embrace their creativity while developing meaningful solutions for ecosystems in need. In this article, an educational methodology is presented that uses a project-based collaborative learning approach with the aim of evaluating, selecting and developing community-oriented engineering solutions in the Base of the Pyramid (BoP). Communication strategies and evaluation of projects based on co-design methods implemented among engineering students and isolated rural communities in the highlands of Peru are discussed. In conclusion, the process to select a community is analyzed and the most important criteria are determined. In addition, we highlight the importance of defining elements to understand the context (community and place) and to establish future objectives (group and projects) during the exploration period that will help facilitate the decision to select a community.
Classification of quantum graphs on M2 and their quantum automorphism groups
Authors: Matsuda Junichiro
Published: September 2022

Motivated by the string diagrammatic approach to undirected tracial quantum graphs by Musto et al. [J. Math. Phys. 59(8), 081706 (2018)], in the former part of this paper, we diagrammatically formulate directed nontracial quantum graphs by Brannan et al. [Commun. Math. Phys. 375(3), 1777 (2019)]. In the latter part, we supply a concrete classification of undirected reflexive quantum graphs on M2 and their quantum automorphism groups in both tracial and nontracial settings. We also obtain quantum isomorphisms between tracial quantum graphs on M2 and certain classical graphs, which reproves the monoidal equivalences between SO(3) and S4+ and O(2) and H2+.
Imaging resonant micro-cantilever movement with ultrafast scanning electron microscopy
Authors: Garming Mathijs W. H. , Kruit Pieter , Hoogenboom Jacob P.
Published: September 2022

Here, we demonstrate ultrafast scanning electron microscopy (SEM) for making ultrafast movies of mechanical oscillators at resonance with nanoscale spatiotemporal resolution. Locking the laser excitation pulse sequence to the electron probe pulses allows for video framerates over 50 MHz, well above the detector bandwidth, while maintaining the electron beam resolution and depth of focus. The pulsed laser excitation is tuned to the oscillator resonance with a pulse frequency modulation scheme. We use an atomic force microscope cantilever as a model resonator, for which we show ultrafast real-space imaging of the first and even the 2 MHz second harmonic oscillation as well as verification of power and frequency response via the ultrafast movies series. We detect oscillation amplitudes as small as 20 nm and as large as 9 μm. Our implementation of ultrafast SEM for visualizing nanoscale oscillatory dynamics adds temporal resolution to the domain of SEM, providing new avenues for the characterization and development of devices based on micro- and nanoscale resonant motion.