bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimisation of enzymatic saccharification of wheat straw pre-treated with sodium hydroxide
Authors: Wang Zhiquan , Wu Suqing , Fan Chunzhen , Zheng Xiangyong , Zhang Wei , Wu Deyi , Wang Xinze , Kong Hainan
Published: December 2021

To enhance the reducing sugar yield in enzymatic hydrolysis, various factors (NaOH concentration, solid content and pre-treatment time) that affect the pre-treatment process were investigated and evaluated based on the reducing sugar yield of the subsequent enzymatic hydrolysis. The enzymatic hydrolysis was based on the cellulase from Trichoderma reesi ATCC 26921, the optimum NaOH pre-treatment conditions were an NaOH concentration of 1.0% (w/w), a solid content of 5.0% (w/v) and a pre-treatment time of 60 min. Various parameters that affect the enzymatic hydrolysis of wheat straw, including the solid content, enzyme loading, pH and hydrolysis time, were investigated and optimized through a Box–Behnken design and response surface methodology. The predicted optimum conditions for enzymatic hydrolysis were a solid content of 8.0% (w/v), an enzyme loading of 35 FPU/g substrate, a temperature of 50 °C, a pH of 5.3 and a hydrolysis time of 96 h. The experimental result showed that the maximum reducing sugar yield was 60.73% (53.35% higher than the wheat straw without NaOH pre-treatment), which is in accordance with the predicted conditions.
Phytosulfokine α (PSKα) delays senescence and reinforces SUMO1/SUMO E3 ligase SIZ1 signaling pathway in cut rose flowers (Rosa hybrida cv. Angelina)
Authors: Aghdam Morteza Soleimani , Ebrahimi Amin , Sheikh-Assadi Morteza
Published: December 2021

Roses are widely used as cut flowers worldwide. Petal senescence confines the decorative quality of cut rose flowers, an impressively considerable economic loss. Herein, we investigated the SUMO1/SUMO E3 ligase SIZ1 signaling pathway during bud opening, and petal senescence of cut rose flowers. Our results exhibited that the higher expression of SUMO1 and SUMO E3 ligase SIZ1 during bud opening was accompanied by lower endogenous H2O2 accumulation arising from higher expression and activities of SOD, CAT, APX, and GR, promoting proline accumulation by increasing P5CS expression and activity and enhancing GABA accumulation by increasing GAD expression and activity. In harvested flowers, lower expressions of SUMO1 and SUMO E3 ligase SIZ1 during petal senescence were associated with higher endogenous H2O2 accumulation due to lower expression and activities of SOD, CAT, APX, and GR. Therefore, promoting the activity of the GABA shunt pathway as realized by higher expression and activities of GABA-T and SSADH accompanied by increasing OAT expression and activity for sufficiently supply proline in rose flowers during petal senescence might serve as an endogenous antisenescence mechanism for slowing down petals senescence by avoiding endogenous H2O2 accumulation. Following phytosulfokine α (PSKα) application, postponing petal senescence in cut rose flowers could be ascribed to higher expression of SUMO1 and SUMO E3 ligase SIZ1 accompanied by higher expression and activities of SOD, CAT, APX, and GR, higher activity of GABA shunt pathway as realized by higher expression and activities of GAD, GABA-T, and SSADH, higher expression and activities of P5CS and OAT for supplying proline and higher expression of HSP70 and HSP90. Therefore, our results highlight the potential of the PSKα as a promising antisenescence signaling peptide in the floriculture industry for postponing senescence and extending the vase life of cut rose flowers.
DNA repair inhibitors sensitize cells differently to high and low LET radiation
Authors: Bannik Kristina , Madas Balázs , Jarke Sabrina , Sutter Andreas , Siemeister Gerhard , Schatz Christoph , Mumberg Dominik , Zitzmann-Kolbe Sabine
Published: December 2021

The aim of this study was to investigate effects of high LET α-radiation in combination with inhibitors of DDR (DNA-PK and ATM) and to compare the effect with the radiosensitizing effect of low LET X-ray radiation. The various cell lines were irradiated with α-radiation and with X-ray. Clonogenic survival, the formation of micronuclei and cell cycle distribution were studied after combining of radiation with DDR inhibitors. The inhibitors sensitized different cancer cell lines to radiation. DNA-PKi affected survival rates in combination with α-radiation in selected cell lines. The sensitization enhancement ratios were in the range of 1.6–1.85 in cancer cells. ATMi sensitized H460 cells and significantly increased the micronucleus frequency for both radiation qualities. ATMi in combination with α-radiation reduced survival of HEK293. A significantly elicited cell cycle arrest in G2/M phase after co-treatment of ATMi with α-radiation and X-ray. The most prominent treatment effect was observed in the HEK293 by combining α-radiation and inhibitions. ATMi preferentially sensitized cancer cells and normal HEK293 cells to α-radiation. DNA-PKi and ATMi can sensitize cancer cells to X-ray, but the effectiveness was dependent on cancer cells itself. α-radiation reduced proliferation in primary fibroblast without G2/M arrest.
Prognostic value of baseline metabolic tumour volume in advanced-stage Hodgkin’s lymphoma
Authors: Pinochet Pierre , Texte Edgar , Stamatoullas-Bastard Aspasia , Vera Pierre , Mihailescu Sorina-Dana , Becker Stéphanie
Published: December 2021

Our aim was to evaluate the prognostic value of initial total metabolic tumour volume (TMTV) in a population of patients with advanced-stage Hodgkin’s lymphoma (HL). We retrospectively included 179 patients with stage IIb-III-IV Hodgkin’s disease who received BEACOPP or ABVD as the first-line treatment. The initial TMTV was determined using a semi-automatic method for each patient. We analysed its prognostic value in terms of 5-year progression-free survival (PFS), overall survival, and positron emission tomography (PET) response after two courses of chemotherapy. Considering all the treatments and using a threshold of 217 cm3, TMTV was predictive of 5-year PFS and PET response after two courses of chemotherapy. In multivariable analysis involving TMTV, IPI score, and the first treatment received, TMTV remained a baseline prognostic factor for 5-year PFS. In the subgroup of patients treated with BEACOPP with a threshold of 331 cm3, TMTV was predictive of PET response, but not 5-year PFS (p = 0.087). The combined analysis of TMTV and PET response enabled the individualisation of a subgroup of patients (low TMTV and complete response on PET) with a very low risk of recurrence. Baseline TMTV appears to be a useful independent prognostic factor for predicting relapse in advanced-stage HL in ABVD subgroup, with a tendency of survival curves separation in BEACOPP subgroup.
New novel thermal insulation and sound-absorbing materials from discarded facemasks of COVID-19 pandemic
Authors: Ali M. , Almuzaiqer R. , Al-Salem K. , Alabdulkarem A. , Nuhait A.
Published: December 2021

Due to the COVID-19 pandemic, people were encouraged and sometimes required to wear disposable facemasks, which then are discarded creating an environmental problem. In this study, we aim at investigating novel ideas to recycle wasted facemasks in order to lower the environmental impact. An experimental study has been carried out to investigate the possibility of using discarded masks for thermal insulation and sound absorption. The wasted masks are simulated by new masks, which stripped off the nose clips, elastic ear loops and are heated to 120 °C for one hour to kill any biological contaminants. The masks are also melted to investigate their thermal insulation and sound absorption properties. Results show that the thermal conductivity coefficients of the loose and melted masks are 0.03555 and 0.08683 W/m K, respectively, at room temperature of about 25 °C. Results show also that the sound absorption coefficient for loose masks is above 0.6 for the frequency range 600–5000 Hz. The loose facemasks are found to be thermally stable up to 295 °C, elastic ear loops at 304.7 °C, and the composite (melted) facemasks at 330.0 °C using the thermo-gravimetric analysis. Characterization of the facemask’s three-layer fibers and the composite (melted) samples is obtained using scanning electron microscopy (SEM). The three-point bending test is obtained for the composite specimens showing good values of flexural stress, flexural strain, and flexural elastic modulus. These results are promising about using such discarded masks as new thermal insulation and sound-absorbing materials for buildings replacing the synthetic or petrochemical insulation materials.
Pan-cancer analysis of non-oncogene addiction to DNA repair
Authors: Bermúdez-Guzmán Luis
Published: December 2021

Cancer cells usually depend on the aberrant function of one or few driver genes to initiate and promote their malignancy, an attribute known as oncogene addiction. However, cancer cells might become dependent on the normal cellular functions of certain genes that are not oncogenes but ensure cell survival (non-oncogene addiction). The downregulation or silencing of DNA repair genes and the consequent genetic and epigenetic instability is key to promote malignancy, but the activation of the DNA-damage response (DDR) has been shown to become a type of non-oncogene addiction that critically supports tumour survival. In the present study, a systematic evaluation of DNA repair addiction at the pan-cancer level was performed using data derived from The Cancer Dependency Map and The Cancer Genome Atlas (TCGA). From 241 DDR genes, 59 were identified as commonly essential in cancer cell lines. However, large differences were observed in terms of dependency scores in 423 cell lines and transcriptomic alterations across 18 cancer types. Among these 59 commonly essential genes, 14 genes were exclusively associated with better overall patient survival and 19 with worse overall survival. Notably, a specific molecular signature among the latter, characterized by DDR genes like UBE2T, RFC4, POLQ, BRIP1, and H2AFX showing the weakest dependency scores, but significant upregulation was strongly associated with worse survival. The present study supports the existence and importance of non-oncogenic addiction to DNA repair in cancer and may facilitate the identification of prognostic biomarkers and therapeutic opportunities.
In-plane magnetic field-driven symmetry breaking in topological insulator-based three-terminal junctions
Authors: Kölzer Jonas , Moors Kristof , Jalil Abdur Rehman , Zimmermann Erik , Rosenbach Daniel , Kibkalo Lidia , Schüffelgen Peter , Mussler Gregor , Grützmacher Detlev , Schmidt Thomas L. , Lüth Hans , Schäpers Thomas
Published: December 2021

Topological surface states of three-dimensional topological insulator nanoribbons and their distinct magnetoconductance properties are promising for topoelectronic applications and topological quantum computation. A crucial building block for nanoribbon-based circuits are three-terminal junctions. While the transport of topological surface states on a planar boundary is not directly affected by an in-plane magnetic field, the orbital effect cannot be neglected when the surface states are confined to the boundary of a nanoribbon geometry. Here, we report on the magnetotransport properties of such three-terminal junctions. We observe a dependence of the current on the in-plane magnetic field, with a distinct steering pattern of the surface state current towards a preferred output terminal for different magnetic field orientations. We demonstrate that this steering effect originates from the orbital effect, trapping the phase-coherent surface states in the different legs of the junction on opposite sides of the nanoribbon and breaking the left-right symmetry of the transmission across the junction. The reported magnetotransport properties demonstrate that an in-plane magnetic field is not only relevant but also very useful for the characterization and manipulation of transport in three-dimensional topological insulator nanoribbon-based junctions and circuits, acting as a topoelectric current switch.
Metalla-phenalene complexes: synthesis, structure and aromaticity
Authors: Sun Yue , Zhou Yan , Bai Wei , Li Yang , Wang Yilun
Published: December 2021

Fused rhena-phenalene complexes demonstrate Hückel aromaticity, σ-aromaticity (in the saturated rhenaoxirane ring and the unsaturated rhenacyclopropene ring), and pseudo π anti-aromaticity (induced paramagnetic properties).
Engineering an Au nanostar-based liquid phase interfacial ratiometric SERS platform with programmable entropy-driven DNA circuits to detect protein biomarkers in clinical samples
Authors: Fan Guanli , Gao Xiaorong , Xu Shuling , Li Xia , Zhang Qi , Dai Caifeng , Xue Qingwang , Wang Huaisheng
Published: December 2021

An Au nanostar-based liquid phase interfacial ratiometric SERS platform with programmable entropy-driven DNA circuits was engineered to detect protein biomarkers Mucin 1 (MUC1) in clinical samples with high sensitivity and accuracy.
Porous direct Z-scheme heterostructures of S-deficient CoS/CdS hexagonal nanoplates for robust photocatalytic H2 generation
Authors: Li Zhihui , Chen Hanchu , Li Yanyan , Wang Hui , Liu Yanru , Li Xia , Lin Haifeng , Li Shaoxiang , Wang Lei
Published: December 2021

Unique porous S-deficient CoS/CdS hexagonal nanoplates exhibited an outstanding photocatalytic capability for H2 production, due to excellent visible-light response, efficient Z-scheme charge separation, and abundant H2-evolving active sites.
Mechanical behaviour of inorganic solid-state batteries: can we model the ionic mobility in the electrolyte with Nernst–Einstein's relation?
Authors: Pang Mei-Chin , Marinescu Monica , Wang Huizhi , Offer Gregory
Published: December 2021

The fundamental physics of Nernst–Einstein's relation assumes that the electric force is in equilibrium with the viscous force, which is not necessarily compatible with the mechanical properties of a brittle inorganic solid electrolyte.
Early thermal decay of energetic hydrogen- and nitro-free furoxan compounds: the case of DNTF and BTF
Authors: Zhu Shuangfei , Yang Wei , Gan Qiang , Cheng Nianshou , Feng Changgen
Published: December 2021

The initial reaction and product distribution of DNTF and BTF were investigated through the DFTB method to explore the thermal decomposition mechanism of oxadiazole compounds.
Crystal-chemical and morphological interpretation of the biocompatibility of compounds in a Ca–Na–Bi–fluorapatite system
Authors: Bulanov Evgeny N. , Stasenko Ksenia S. , Golitsyna Oxana N. , Egorikhina Marpha N. , Aleynik Diana Ya. , Skoblikow Nikolai E. , Knyazev Alexander V.
Published: December 2021

For the first time, a crystal-chemical interpretation of the increased bioactivity of compounds with an apatite structure with a Ca10−2xBixNax(PO4)6F2 composition on an in vitro model is presented.
Local magnetic spin mismatch promoting photocatalytic overall water splitting with exceptional solar-to-hydrogen efficiency
Authors: Li Yiyang , Wang Zihan , Wang Yiqi , Kovács András , Foo Christopher , Dunin-Borkowski Rafal E. , Lu Yunhao , Taylor Robert A. , Wu Chen , Tsang Shik Chi Edman
Published: December 2021

A local-magnetic-field-promoted photocatalytic overall water splitting system is developed for the Fe3O4/N-TiO2 catalyst, and an unprecedented solar-to-hydrogen efficiency of 11.9 ± 0.5% is achieved at 270 °C.
Assessing the source of the photochemical formation of hydroxylating species from dissolved organic matter using model sensitizers
Authors: Couch Kylie , Leresche Frank , Farmer Claire , McKay Garrett , Rosario-Ortiz Fernando L.
Published: December 2021

Dissolved organic matter (DOM) can facilitate the transformation of contaminants through the production of reactive intermediates, such as singlet oxygen (1O2), and hydroxylating species (˙OH and other intermediates of similar reaction chemistry).
A review on sustainable synthetic approaches toward photoluminescent quantum dots
Authors: Yang Weiqiang , Li Xinghua , Fei Liling , Liu Weizhen , Liu Xiuling , Xu Haiyang , Liu Yichun
Published: December 2021

The sustainable synthesis of photoluminescent quantum dots (QDs) and their formation mechanisms, advantages, and limitations are discussed. The remaining challenges and future prospects of sustainable synthetic strategies are summarized.
Novel thiol-functionalized covalent organic framework-enabled ICP-MS measurement of ultra-trace metals in complex matrices
Authors: Tian Yong , Cheng Jiawen , Han Xiaoxuan , Li Yutong , Yang Ting , Chen Ming-Li , Ma Jiping , Wang Jian-Hua
Published: December 2021

Novel thiol-functionalized covalent organic frameworks for the quantitative preconcentration of heavy metals in environmental waters prior to ICP-MS analysis.
Assessing red blood cell deformability from microscopy images using deep learning
Authors: Lamoureux Erik S. , Islamzada Emel , Wiens Matthew V. J. , Matthews Kerryn , Duffy Simon P. , Ma Hongshen
Published: December 2021

A microfluidic ratchet sorting device is used to separate RBCs based on deformability. Sorted cells are imaged using optical microscopy and are used to train and test a deep learning network to classify the cells based on deformability.
Recent advances in the aqueous applications of PEDOT
Authors: Rudd Sam , Evans Drew
Published: December 2021

The use of PEDOT in aqueous applications relies on nanoscale understanding and/or nanoengineered structures and properties. This enables their use in water-based settings such as within the human body or buried in agricultural soils.
Regulation of Ni/Al2O3 catalysts by metal deposition procedures for selective hydrogenation of adiponitrile
Authors: Zhao Qi , Yang Wenhao , Luo Jingjie , Liang Changhai
Published: December 2021

The chemical structure of Ni/Al2O3 was modulated by precipitators, and the balance between Ni0 and acid sites regulated the 1,6-hexanediamine yield.
A flow-based transition-metal-catalysed hydrogenolysis strategy to facilitate peptide side-chain deprotection
Authors: Menti-Platten Maria , Aldrich-Wright Janice R. , Gordon Christopher P.
Published: December 2021

A palladium-catalysed flow chemistry protocol to selectively mediate Nβ side-chain Cbz-lysis from extended peptide sequences in the presence of trityl, t-butyl and Nα-Fmoc protecting groups.
Scalable synthesis of favipiravir via conventional and continuous flow chemistry
Authors: Tiyasakulchai Thanat , Charoensetakul Netnapa , Khamkhenshorngphanuch Thitiphong , Thongpanchang Chawanee , Srikun Onsiri , Yuthavong Yongyuth , Srimongkolpithak Nitipol
Published: December 2021

Decagram scale synthesis of favipiravir was performed in 9 steps using diethyl malonate as cheap starting material.
[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attackvs.α-attack using DFT studies
Authors: Anwar Shaik , Lin Li-Tzu , Srinivasadesikan V. , Gudise Veera Babu , Chen Kwunmin
Published: December 2021

A [3+2] annulation protocol for the construction of functionalized spirocyclopentenes utilizing 1,3-indanedione derived benzylidene-1,3-indanedione and ethyl-2,3-butadienoate at room temperature was developed.
Polyolefin plastic waste hydroconversion to fuels, lubricants, and waxes: a comparative study
Authors: Kots Pavel A. , Vance Brandon C. , Vlachos Dionisios G.
Published: December 2021

A direct comparison of the recent advancements in the hydrogenolysis and hydrocracking of polyolefins is lacking. This perspective aims to address this gap while providing insights from model alkane studies to guide future research.
Analysis of factors that affect the nature and quality of student laboratory argumentation
Authors: Petritis Steven J. , Kelley Colleen , Talanquer Vicente
Published: December 2021

Previous research on student argumentation in the chemistry laboratory has emphasized the evaluation of argument quality or the characterization of argument structure (i.e., claims, evidence, rationale). In spite of this progress, little is known about the impact of the wide array of factors that impact students’ argumentation in the undergraduate laboratory. Building on our previous work involving activity framing, we analyzed student arguments produced following eight experiments that comprise the first semester of a college organic chemistry laboratory. Arguments were characterized by a set of domain-general coding categories that were related to the nature and quality of student arguments. Further, we explored the impact of four laboratory factors on the quality of arguments produced across the eight experiments in the laboratory curriculum. Our analysis revealed no trends on the effect of experiment order or general type on the quality of student arguments; however, the amount and types of data sources as well as the level of scaffolding provided both had an impact on student argument quality. Although the undergraduate laboratory offers a ripe opportunity for students to engage in argument from evidence, laboratory activity involves a complex web of components each with the potential to affect productive and quality sensemaking. Our findings highlight the importance of explicit consideration of various laboratory factors and their impact on how students express their chemical reasoning through written argumentation.
A route to hierarchical assembly of colloidal diamond
Authors: Zhou Yuan , Cersonsky Rose K. , Glotzer Sharon C.
Published: December 2021

Based on the uniaxial scaling relationship between β-Sn and diamond structures, we modified the eGBF, building block of β-Sn, and assembled the cubic diamond structure with the mGBF.
A high-efficiency (12.5%) kesterite solar cell realized by crystallization growth kinetics control over aqueous solution based Cu2ZnSn(S,Se)4
Authors: Yin Kang , Xu Xiao , Wang Muyu , Zhou Jiazheng , Duan Biwen , Shi Jiangjian , Li Dongmei , Wu Huijue , Luo Yanhong , Meng Qingbo
Published: December 2021

By revealing a new crystallization mechanism of CZTSSe, a two-step selenization strategy is developed to obtain high-quality CZTSSe films, achieving the highest efficiency of 12.5% for aqueous-based CZTSSe solar cells.
Synergic morphology engineering and pore functionality within a metal–organic framework for trace CO2capture
Authors: Hu Peng , Liu Hao , Wang Hao , Zhou Jie , Wang Yongqing , Ji Hongbing
Published: December 2021

CO2capture, especially under ultralow-pressure regions (400–10 000 ppm), is extremely essential and challenging to keep the prolonged manual operation in confined spaces and reduce CO2corrosion in natural gas.
Progression of Self-Perceived Speech and Swallowing Impairment in Early Stage Parkinson's Disease: Longitudinal Analysis of the Unified Parkinson's Disease Rating Scale
Authors: Watts Christopher R. , Zhang Yan
Published: December 2021

Purpose:

The purpose of this study was to investigate the presence and progression of self-perceived speech and swallowing impairments in newly diagnosed people with Parkinson's disease (PD) longitudinally across 6 years.

Method:

Longitudinal data from the Parkinson's Progression Markers Initiative were analyzed across six consecutive years in a cohort of 269 newly diagnosed people with PD, and a subset of those (
n
= 211) who were assessed at every time point across the 6 years. Dependent variables included self-perceived ratings of speech and swallowing impairment severity from the Unified Parkinson's Disease Rating Scale. Patient-centered factors of age at diagnosis and motor phenotype were also assessed to determine if they were related to the change in self-perceived speech and swallowing impairments.

Results:

Overall, self-perceived speech and swallowing impairments were present in newly diagnosed people with PD, although over time, the degree of severity for both remained in the mild range. However, the rate of change over time was significant for perceived speech impairment,
F
(5.5, 1158.8) = 21.1,
p
< .001), and perceived swallowing impairment,
F
(5.2, 1082.6) = 8.6,
p
< .001. Changes for speech and swallowing impairment were both in the direction of progressive severity. There were no effects of age at diagnosis or motor phenotype on the degree of change for either speech or swallowing.

Conclusions:

Self-perceptions of speech and swallowing impairment changed significantly over time in newly diagnosed people with PD (PWPD). Consistent with existing literature, self-perceptions of speech impairment were rated as more severe than those of swallowing impairment. These findings reveal that even in the early years postdiagnoses, PWPD are experiencing changes to speech and swallowing function, albeit within the mildly severe range. The presence of self-perceived mild speech and swallowing impairments in the initial years postdiagnosis may support the need for intervention to improve and or sustain function over time.
A SPHERE survey of self-shadowed planet-forming disks
Authors: Garufi A. , Dominik C. , Ginski C. , Benisty M. , van Holstein R. G. , Henning Th. , Pawellek N. , Pinte C. , Avenhaus H. , Facchini S. , Galicher R. , Gratton R. , Ménard F. , Muro-Arena G. , Milli J. , Stolker T. , Vigan A. , Villenave M. , Moulin T. , Origne A. , Rigal F. , Sauvage J.-F. , Weber L.
Published: December 2021

To date, nearly two hundred planet-forming disks have been imaged at high resolution. Our propensity to study bright and extended objects does, however, bias our view of the disk demography. In this work, we aim to help alleviate this bias by analyzing fifteen disks targeted with VLT/SPHERE that look faint in scattered light. Sources were selected based on a low far-infrared excess from the spectral energy distribution. The comparison with the ALMA images available for a few sources shows that the scattered light surveyed by these datasets is only detected from a small portion of the disk extent. The mild anticorrelation between the disk brightness and the near-infrared excess demonstrates that these disks are self-shadowed: the inner disk rim intercepts much starlight and leaves the outer disk in penumbra. Based on the uniform distribution of the disk brightness in scattered light across all spectral types, self-shadowing would act similarly for inner rims at a different distance from the star. We discuss how the illumination pattern of the outer disk may evolve with time. Some objects in the sample are proposed to be at an intermediate stage toward bright disks from the literature, with either no shadow or with signs of azimuthally confined shadows.
The chemical composition of globular clusters in the Local Group
Authors: Larsen S. S. , Eitner P. , Magg E. , Bergemann M. , Moltzer C. A. S. , Brodie J. P. , Romanowsky A. J. , Strader J.
Published: December 2021

We present detailed chemical abundance measurements for 45 globular clusters (GCs) associated with galaxies in (and, in one case, beyond) the Local Group. The measurements are based on new high-resolution integrated-light spectra of GCs in the galaxies NGC 185, NGC 205, M 31, M 33, and NGC 2403, combined with reanalysis of previously published observations of GCs in the Fornax dSph, WLM, NGC 147, NGC 6822, and the Milky Way. The GCs cover the range −2.8 < [Fe/H] < −0.1 and we determined abundances for Fe, Na, Mg, Si, Ca, Sc, Ti, Cr, Mn, Ni, Cu, Zn, Zr, Ba, and Eu. Corrections for non local thermodynamic equilibrium effects are included for Na, Mg, Ca, Ti, Mn, Fe, Ni, and Ba, building on a recently developed procedure. For several of the galaxies, our measurements provide the first quantitative constraints on the detailed composition of their metal-poor stellar populations. Overall, the GCs in different galaxies exhibit remarkably uniform abundance patterns of the α, iron-peak, and neutron-capture elements, with a dispersion of less than 0.1 dex in [α/Fe] for the full sample. There is a hint that GCs in dwarf galaxies are slightly less α-enhanced (by ∼0.04 dex on average) than those in larger galaxies. One GC in M 33 (HM33-B) resembles the most metal-rich GCs in the Fornax dSph (Fornax 4) and NGC 6822 (SC7) by having α-element abundances closer to scaled-solar values, possibly hinting at an accretion origin. A principal components analysis shows that the α-element abundances strongly correlate with those of Na, Sc, Ni, and Zn. Several GCs with [Fe/H] < −1.5 are deficient in Mg compared to other α-elements. We find no GCs with strongly enhanced r-process abundances as reported for metal-poor stars in some ultra-faint dwarfs and the Magellanic Clouds. The similarity of the abundance patterns for metal-poor GCs in different environments points to similar early enrichment histories and only allow for minor variations in the initial mass function.
Catalogue of stars measured in the Geneva seven-colour photometric system
Authors: Paunzen E.
Published: December 2021

Context. The Geneva seven-colour photometric system is successfully applied to the study of various astrophysical objects. It measures the slope of the Paschen continuum, the Balmer discontinuity, and blocking absorption due to hydrogen or metallic lines. One of its greatest strengths is its intrinsic homogeneity.

Aims. A new catalogue of the available measurements was generated, 30 years after the last publication.

Methods. The identifications for the individual stars were cross-checked on the basis of the Gaia and 2MASS catalogues. The high precision coordinates together with proper motions (if available) are included, for the first time, in the catalogue. Special caution was exercised with binaries and high-proper-motion stars.

Results. The catalogue includes 42 911 entries of highly accurate photometry.

Conclusions. The data of this catalogue can be used for various applications, such as new calibrations of astrophysical parameters, the standardisation of new observations, and as additional information for ongoing and forthcoming all-sky surveys, such as the Transiting Exoplanet Survey Satellite.
Délicates transitions
Authors: Silvestri Laura , Beldame Yann , Marcellini Anne , Le Roux Nathalie , Ferez Sylvain , Richard Rémi
Published: December 2021

Nous avons mené une étude qualitative par entretiens individuels et collectifs (focus groups) auprès de jeunes (de 16 à 25 ans) touchés par une anomalie chromosomique (trisomie 21, microdélétion 22q11.2 associée au syndrome vélo-cardio-facial, ou microdélétion 7q11.23 associée au syndrome de Williams-Beuren) et de leurs familles, afin de comprendre les obstacles à la participation sociale qu’ils rencontrent lors du passage à l’âge adulte. Confrontés à de nombreuses contraintes pour développer des liens sociaux diversifiés et pour trouver une place sociale, professionnelle ou non, après la scolarité, ces jeunes semblent attribuer la plus grande importance à une dynamique relationnelle positive en dehors de l’espace familial, dont ils continuent toutefois de souhaiter la protection.
L’acceptabilité au prisme du stockage géologique de CO2 : retour sur un débat non émergé
Authors: Chailleux Sébastien , Arnauld de Sartre Xavier
Published: December 2021

L’acceptabilité sociale, notamment des techniques de géo-ingénierie (et plus particulièrement d’ingénierie du sous-sol), est réputée poser problème et limiter le déploiement de ces technologies. En se fondant sur le cas de la capture et du stockage géologique de CO2 (CSC) en Europe, l’article met en évidence, au travers d’une comparaison de tentatives de déploiement et d’une analyse de presse, le fait que même si la faible acceptabilité du CSC est un des facteurs qui limite son déploiement, celle-ci semble avoir un rôle moindre dans ses difficultés au regard des fragilités de son portage politique et son modèle économique, voire la maturité de cet assemblage technologique. Le CSC est donc moins confronté à un rejet massif qu’il ne souffre d’un manque de portage industriel et politique. En fait, c’est surtout l’absence d’un véritable débat autour de cet assemblage de technologies que révèle l’analyse des débats autour de l’acceptabilité sociale de cette manière de lutter contre le changement climatique.
Formations aux approches orientées sur le rétablissement en santé mentale : étude lexicale des perceptions d’un dispositif participatif de formation
Authors: Jouet Emmanuelle
Published: December 2021

Contexte :Les formations des professionnels de santé et de l’accompagnement social aux approches orientées sur le rétablissement en santé mentale se développent depuis une dizaine d’année en France. Peu d’entre elles bénéficient d’une description de leurs effets sur les participants.Objectifs :Quels sont les effets d’un dispositif de formation à l’attention des professionnels de santé visant : 1) l’acculturation des professionnels à la notion de rétablissement en santé mentale ; 2) la transmission des caractéristiques de ce processus et 3) le changement de pratiques afférent.Échantillon :Pendant cinq années (2013–2017), 363 professionnels ont bénéficié de 25 sessions de formations sur le thème de l’accompagnement au rétablissement des personnes dans le champ de la santé, du social et de celui des personnes en situation de handicap.Méthode :Le verbatim, recueilli au moyen de questionnaires ouverts, a fait l’objet d’une analyse lexicale à l’aide du logiciel Iramuteq.Résultats :Les analyses lexicales montrent que, selon les participants, un tel dispositif de formation permettrait d’atteindre les objectifs : 1) d’acculturation (sensibiliser) ; 2) de transmission des caractéristiques de ce processus singulier (faire comprendre) et 3) d’accompagnement au changement des pratiques professionnelles induites dans l’approche orientée sur le rétablissement (pratiquer).Conclusion :La formation des professionnels de santé aux approches orientées sur le rétablissement doit faire l’objet, en France, de davantage de recherche en pédagogie médicale, et sciences humaines et sociales, afin d’accompagner le déploiement et l’évaluation des pratiques en santé mentale et psychiatrie.
Constrained global optimization of multivariate polynomials using polynomial B-spline form and B-spline consistency prune approach
Authors: Gawali Deepak D. , Patil Bhagyesh V. , Zidna Ahmed , Nataraj P. S. V.
Published: December 2021

In this paper, we propose basic and improved algorithms based on polynomial B-spline form for constrained global optimization of multivariate polynomial functions. The proposed algorithms are based on a branch-and-bound framework. In improved algorithm we introduce several new ingredients, such as B-spline box consistency and B-spline hull consistency algorithm to prune the search regions and make the search more efficient. The performance of the basic and improved algorithm is tested and compared on set of test problems. The results of the tests show the superiority of the improved algorithm over the basic algorithm in terms of the chosen performance metrics for 7 out-off 11 test problems. We compare optimal value of global minimum obtained using the proposed algorithms with CENSO, GloptiPoly and several state-of-the-art NLP solvers, on set of 11 test problems. The results of the tests show the superiority of the proposed algorithm and CENSO solver (open source solver for global optimization of B-spline constrained problem) in that it always captures the global minimum to the user-specified accuracy.
“Debaryomyces subglobosus” – Management of a rare case of fungal septic arthritis post arthroscopic rotator cuff repair – a case report
Authors: Palasseril Aizel Sherief , Gopinath Sathya Vignes , Thanikachalam Ramakrishnan , Prabhu Sanjoo Anto , Rajamanoharan Vivek , Shahul Mymoonah Risha
Published: December 2021

Fungal septic arthritis of the shoulder is extremely rare in post arthroscopic rotator cuff repair patients. We report our experience in successfully identifying and managing a rare case of fungal septic arthritis with Debaryomyces subglobosus in an uncontrolled diabetic patient who underwent arthroscopic rotator cuff repair in 2019. Our patient had complete resolution of symptoms and a reasonable functional recovery within 2 months of debridement and initiation of the specific anti-fungal. This case highlights the importance of high clinical suspicion for atypical fungal infections, and the use of culture-independent modern diagnostic tools like DNA-PCR as adjuncts to successfully identify rare pathogens in immunodeficient patients presenting with vague, nonspecific symptoms of infection.
Clinical and Genetic Aspects of Juvenile Onset Pompe Disease
Authors: Holzwarth Johanna , Minopoli Nadja , Pfrimmer Charlotte , Smitka Martin , Borrel Sabine , Kirschner Janbernd , Muschol Nicole , Hartmann Hans , Hennermann Julia B. , Neubauer Bernd A. , Hobbiebrunken Elke , Husain Ralf A. , Hahn Andreas
Published: December 2021

Little is known about clinical symptomatology and genetics of juvenile onset Pompe disease (JOPD). The aims of this study were to analyze how these children are diagnosed, what clinical problems they have, and how phenotype is related to genotype. To accomplish this, we analyzed retrospectively data of 34 patients diagnosed after their first and before completion of their 18th birthday. Median age at diagnosis was 3.9 (range 1.1–17) years. Eight patients (23.5%) developed initial symptoms in the first year, 12 (35%) between 1 and 7 years, and 6 (18%) thereafter. Eight (23.5%) had no clinical symptoms at the time of diagnosis. Indications for diagnostics were a positive family history in three (9%), hyperCKemia in eight (23.5%), motor developmental delay in three (9%), and muscle weakness and/or pain in 17 (50%). Rare clinical signs were failure to thrive, recurrent diarrhea, and suspected hepatopathy with glycogen storage. Thirty-two different mutations were identified. Twenty-seven patients (79.5%) carried the milder c.32–13T > G mutation, known to be associated with a broad range of phenotypes. Three out of eight patients manifesting within the first year of life showed generalized muscle weakness, hypertrophic cardiomyopathy, and had to be ventilated during the course of disease, thereby demonstrating clinical overlap with infantile onset Pompe disease.

These findings demonstrate that the phenotype of JOPD is broad and that the differential is not only restricted to neuromuscular disorders. Genotypic analysis was useful to delineate subjects with early onset JOPD from those with IOPD, but overall genotype–phenotype correlation was poor.
The role of hydrogen bond in catalytic triad of serine proteases
Authors: Chen Yani , Wei Wanqing , Zhou Yanzi , Xie Daiqian
Published: December 2021

In order to investigate the origin of catalytic power for serine proteases, the role of the hydrogen bond in the catalytic triad was studied in the proteolysis process of the peptides chymotrypsin inhibitor 2 (CI2), MCTI-A, and a hexapeptide (SUB), respectively. We first calculated the free energy profile of the proton transfer between His and Asp residues of the catalytic triad in the enzyme-substrate state and transition state by employing QM/MM molecular dynamics simulations. The results show that a low-barrier hydrogen bond (LBHB) only forms in the transition state of the acylation of CI2, while it is a normal hydrogen bond in the acylation of MCTI-A or SUB. In addition, the change of the hydrogen bond strength is much larger in CI2 and SUB systems than in MCTI-A system, which decreases the acylation energy barrier significantly for CI2 and SUB. Clearly, a LBHB formed in the transition state region helps accelerate the acylation reaction. But to our surprise, a normal hydrogen bond can also help to decrease the energy barrier. The key to reducing the reaction barrier is the increment of hydrogen bond strength in the transition state state, whether it is a LBHB or not. Our studies cast new light on the role of the hydrogen bond in the catalytic triad, and help to understand the catalytic triad of serine proteases.
Three-dimensional diabatic potential energy surfaces of thiophenol with neural networks
Authors: Li Chaofan , Hou Siting , Xie Changjian
Published: December 2021

Three-dimensional (3D) diabatic potential energy surfaces (PESs) of thiophenol involving the S0, and coupled 1ππ* and 1πσ* states were constructed by a neural network approach. Specifically, the diabatization of the PESs for the 1ππ* and 1πσ* states was achieved by the fitting approach with neural networks, which was merely based on adiabatic energies but with the correct symmetry constraint on the off-diagonal term in the diabatic potential energy matrix. The root mean square errors (RMSEs) of the neural network fitting for all three states were found to be quite small (<4 meV), which suggests the high accuracy of the neural network method. The computed low-lying energy levels of the S0 state and lifetime of the 0° state of S1 on the neural network PESs are found to be in good agreement with those from the earlier diabatic PESs, which validates the accuracy and reliability of the PESs fitted by the neural network approach.
Dependence of emittance of the He+ beam extracted from a Penning ion source on the design of the source, a Particle-In-Cell simulation
Authors: Rafieian Najaf Abadi Mahdi , Mahjour-Shafiei Masoud
Published: December 2021

The dependence of the emittance of He+ beam extracted from a cold cathode Penning ion source on source discharge voltage, anode length, and cathode to anode distance was studied. The 2D3V particle-in-cell Monte Carlo simulation technique was utilized to perform the analysis. Different dimensions for components of the ion source such as anode length and cathode to anode distance were considered. The increase in the cathode to anode distance led to a reduction in rms emittance, almost independent of discharge voltage. This study indicated that the rms emittance slightly improves on increasing the anode length.
Characterization of an under-development capacitor dosimeter equipped with a silicon x-ray diode
Authors: Yamaguchi Satoshi , Ieko Yoshiro , Ariga Hisanori , Yoshioka Kunihiro
Published: December 2021

Herein, we evaluated a capacitor dosimeter under development by a manufacturer, which is designed to monitor the entrance dose in x-ray diagnosis and comprises a silicon x-ray diode (Si-XD), a 0.1 µF capacitor, and a dosimeter dock. The Si-XD is a high-sensitivity photodiode optimized for x-ray detection. The dosimeter was charged to 3.30 V using the dock before x-ray irradiation. The charging voltage was reduced by photocurrents flowing through the Si-XD during irradiation, and the discharging voltage was measured. For the fundamental characterization of this capacitor dosimeter, we investigated the x-ray tube-current and tube-voltage dependences of the measured dose using an industrial x-ray tube; the angular dependence was also investigated. A commercially available semiconductor dosimeter (RaySafe ThinX) was used for dose calibration. The doses were proportional to the tube current at a constant tube voltage of 100 kV and increased with increasing tube voltage at a constant tube current of 1.0 mA. The dose difference with respect to the commercially available semiconductor dosimeter was within 1.0% when the tube current was varied and it was within 3.0% when the tube voltage was varied. In the angular dependence measurement, a difference of up to 6.0% was observed as the angle varied from 0° to 355° in steps of 5°. The dose-calibration results indicated that the determination of the initial charging voltage was important for dose conversion using the capacitor dosimeter.
TrapREMI: A reaction microscope inside an electrostatic ion beam trap
Authors: Schotsch F. , Zebergs I. , Augustin S. , Lindenblatt H. , Hoibl L. , Djendjur D. , Schroeter C. D. , Pfeifer T. , Moshammer R.
Published: December 2021

A new experimental setup has been developed to investigate the reactions of molecular ions and charged clusters with a variety of projectile beams. An Electrostatic Ion Beam Trap (EIBT) stores fast ions at keV energies in an oscillatory motion. By crossing it with a projectile beam, e.g., an IR laser, molecular reactions can be induced. We implemented a Reaction Microscope (REMI) in the field-free region of the EIBT to perform coincidence spectroscopy on the resulting reaction products. In contrast to prior experiments, this unique combination of techniques allows us to measure the 3D momentum-vectors of ions, electrons, and neutrals as reaction products in coincidence. At the same time, the EIBT allows for advanced target preparation techniques, e.g., relaxation of hot molecules during storage times of up to seconds, autoresonance cooling, and recycling of target species, which are difficult to prepare. Otherwise, the TrapREMI setup can be connected to a variety of projectile sources, e.g., atomic gas jets, large-scale radiation facilities, and ultrashort laser pulses, which enable even time-resolved studies. Here, we describe the setup and a first photodissociation experiment on H2+, which demonstrates the ion-neutral coincidence detection in the TrapREMI.
Bactericidal effect of surface plasma under different discharge modes
Authors: Huang Lingling , Guo Li , Qi Yu , Chen Min , Niyazi Gulimire , Yang Lu , Zhang Fugao , Zhang Jing , Yao Zhiqian , Yan Jinwei , Wang Zifeng , Liu Dingxin
Published: December 2021

Plasma-activated water (PAW) with reactive species produced by plasma in water can efficiently inactivate bacteria and has potential biomedical applications. Surface dielectric barrier discharge (SDBD) is extensively used for the preparation of PAW, and the bactericidal effects of PAW are highly related to the discharge mode. In previous studies, saline was directly placed under surface plasma within a short distance, and the gaseous reactive species diffused into the saline. In this study, the gaseous reactive species flowed into the saline by airflow, which was outside the treatment distance and accelerated the diffusion rate. The gaseous reactive species were compared at different power levels and flow rates, and three discharge modes were classified, namely, ozone, transition, and nitrogen oxides modes, based on the characteristic peaks in the spectra. Long-lived and short-lived species were detected in the saline, and short-lived species were more associated with the bactericidal effect. The results suggest that the bactericidal effect of the transition mode is the most prominent and the scavenger results show that nitric oxide (•NO), singlet oxygen, and peroxynitrite play a more crucial role in bacterial inactivation. This study provides a potential strategy for modulating the discharge mode to generate selective reactive species in plasma-activated saline to promote bactericidal application.
A stop-flow sample delivery system for transient spectroscopy
Authors: Buhrke David , Ruf Jeannette , Heckmeier Philipp , Hamm Peter
Published: December 2021

A stop-flow sample delivery system for transient spectroscopy is presented, which is, in particular, suited for laser-based instruments (quantum-cascade lasers or amplified femtosecond lasers) with excitation pulse repetition rates in the range 10–100 Hz. Two pulsing micro-valves are mounted onto a flow cuvette designed for transient IR spectroscopy, which is integrated into a flow cycle driven by a peristaltic pump. The performance of the system is demonstrated with transient IR experiments of the trans-to-cis photoisomerization of a water-soluble azobenzene derivative. The sample stands still when the micro-valves are closed and is pushed out from the probe beam focus on a 1 ms timescale when opening the micro-valves. The setup is extremely sample efficient. It needs only small sample volumes, and at the same time, it enables excitation of a large fraction of molecules in solution.