bluuebunny/crossref_metadata_2025 huggingface dataset:
Long-chain mercury carboxylates relevant to saponification in oil and tempera paintings: XRPD and ssNMR complementary study of their crystal structures
Authors: Barannikov Ruslan , Kočí Eva , Bezdička Petr , Kobera Libor , Mahun Andrii , Rohlíček Jan , Plocek Jiří , Švarcová Silvie
Published: January 2022

Mercury palmitate, stearate and palmitate-stearates were synthesized and characterized by ssNMR, XRPD, IR and DSC to provide reference materials for the identification of saponification-related degradation products in paintings.
Aqueous rocking-chair aluminum-ion capacitors enabled by a self-adaptive electrochemical pore-structure remolding approach
Authors: Ma Hongyun , Chen Hongwu , Hu Yajie , Yang Bingjun , Feng Jianze , Xu Yongtai , Sun Yinglun , Cheng Huhu , Li Chun , Yan Xingbin , Qu Liangti
Published: January 2022

An aqueous rocking-chair aluminum-ion capacitor with excellent integrated electrochemical performance is developed herein, which is accordingly enabled by a self-adaptive pore-structure remolding approach towards effective hydrated Al3+ ion storage.
Exploration and application of a liver-on-a-chip device in combination with modelling and simulation for quantitative drug metabolism studies
Authors: Docci Luca , Milani Nicolò , Ramp Thomas , Romeo Andrea A. , Godoy Patricio , Franyuti Daniela Ortiz , Krähenbühl Stephan , Gertz Michael , Galetin Aleksandra , Parrott Neil , Fowler Stephen
Published: January 2022

Microphysiological systems (MPS) are complex and more physiologically realistic cellular in vitro tools that aim to provide more relevant human in vitro data for quantitative prediction of clinical pharmacokinetics while also reducing the need for animal testing.
Synthesis of a highly porous three-dimensional PVA/GO/ZIF-67 cryogel for the simultaneous treatment of water contaminated with cadmium(ii) and lead(ii) heavy metal ions
Authors: Motaghi Hamed , Arabkhani Payam , Parvinnia Mohammad , Javadian Hamedreza , Asfaram Arash
Published: January 2022

Binary adsorption of Pb2+ and Cd2+ on the PVA/GO/ZIF-67 cryogel was investigated. The mechanism of electrostatic attraction, ion exchange, physical and chemical adsorption dominates the adsorption process.
Elucidating the mechanism and reactivity of the reaction between the donor–acceptor–acceptor 1,3-bisdiazo compound and cinnamyl alcohol catalyzed by Rh2(OAc)4: a DFT study
Authors: Zhang Yan , Yang Yongsheng , Xue Ying
Published: January 2022

The reactivity of donor–acceptor–acceptor 1,3-bisdiazo in the Rh2(OAc)4-catalyzed reaction with alcohol is explored by DFT and electronic structure analyses.
Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones
Authors: Kumah Robert T. , Vijayan Paranthaman , Ojwach Stephen O.
Published: January 2022

The organo-carboxamide carbonyl-ruthenium(ii) complexes displayed moderate catalytic activities in the transfer hydrogenation of a broad spectrum of ketones.
Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics
Authors: Yamada Shigeyuki , Sato Masaya , Uto Eiji , Kataoka Mitsuki , Morita Masato , Konno Tsutomu
Published: January 2022

Precise molecular design of fluorinated tolane-based fluorophores can control both the electron density and molecular aggregated structures.
Hybrid transition metal (V, Fe, and Co) oxide/sulfide catalysts for highly efficient overall water splitting
Authors: Wen Xinwei , Yang Xiaoqiang , Li Shuli , Qu Qing , Li Lei
Published: January 2022

A strategy for designing transition metal catalysts for highly efficient overall water splitting, where the overpotential is significantly reduced and the catalyst is an alternative to noble metal catalysts.
Recent development of a magneto-optical nanoplatform for multimodality imaging of pancreatic ductal adenocarcinoma
Authors: Zhang Xuan , Zeng Zhiming , Liu Huiyi , Xu Li , Sun Xin , Xu Jing , Song Guosheng
Published: January 2022

A magneto-optical nanoplatform integrating near infrared fluorescence, photoacoustic, and magnetic resonance imaging shows great promise for the accurate diagnosis of pancreatic ductal adenocarcinoma.
Three-component addition of terminal alkynes, carboxylic acids, and tert-butyl hypochlorite
Authors: Zhang Xitao , Zhang Sheng , Li Shihong , Feng Xiujuan , Yamamoto Yoshinori , Bao Ming
Published: January 2022

Three-component addition of terminal alkynes, carboxylic acids, and tert-butyl hypochlorite is developed. This new type of addition proceeds smoothly to produce gem-dichloroalkane derivatives via successive two-time additions under mild conditions.
Stable bifunctional ZnII-based sensor toward acetylacetone and l-histidine via a fluorescence red shift and turn-on effect
Authors: Yao Shu-Li , Xu Hui , Zheng Teng-Fei , Peng Yan , Liu Sui-Jun , Chen Jing-Lin , Wen He-Rui
Published: January 2022

A ZnII-based coordination polymer was synthesized by a mixed-ligand strategy, and it could be viewed as the first bifunctional fluorescent sensor with good stability for acac and l-His via a fluorescence red shift and enhancement.
Less Is More: Implementing the Minimal Intervention Needed for Change Approach to Increase Contextual Fit of Speech-Language Interventions
Authors: Curran Maura , Komesidou Rouzana , Hogan Tiffany P.
Published: January 2022

Purpose:

Speech-language pathologists (SLPs) and researchers face difficulties in moving evidence-based practices from clinical research into widespread practice, in part due to a mismatch between the design of typical intervention research studies and the realities of clinical settings. SLPs must adapt interventions from the literature or established programs to fit the needs of specific clients and settings. Researchers must design studies that better reflect clinical practice.

Method:

Here, we provide an overview of the Minimal Intervention Needed for Change (MINC) approach, a systematic approach to developing and adapting interventions that focuses on achieving meaningful outcomes within specific contexts. We outline the principles of MINC and illustrate this process through the use of a case study.

Results:

MINC can support systematic development and adaptation of interventions in clinical and research settings, particularly settings with resource limitations.

Conclusions:

Researchers should work to align research intervention work with typical clinical settings. This involves both targeting outcomes that are functional and clinically significant and acknowledging resource limitations. SLPs should adapt evidence-based interventions systematically and carefully to meet the needs of clients and settings while retaining the core components of intervention that result in meaningful change for clients.
Joint pre‐ and post‐equalization using optical multi‐level signaling
Authors: Singh Jasmeet , Sandmann André , Ahrens Andreas , Lochmann Steffen
Published: January 2022

A joint pre‐ and post‐equalization scheme is proposed for an optical intensity modulation and direct detection (IM/DD) system. At the transmitter, a linear feed‐forward pre‐equalizer with just two, three, or four filter taps is suggested to limit the transmitter's complexity and to allow the use of multi‐level modulation. Finally, this concept is combined with a zero‐forcing post‐equalizer at the receiver. By utilizing numerical optimization to design the multi‐level signals, the intersymbol‐interference originating from the channel is mitigated pre‐equalizer taps, a reduction of 3 % in received power compared to a conventional zero‐forcing design is achieved. The equalization scheme is tailored for an optical IM/DD system. Therefore, the specific power constraints of such a setup are taken into account in the equalizer design process. In contrast to existing research, the approach is tested for a multi‐mode fiber system, which is affected by increased inter‐symbol interference due to modal dispersion. The simulation results show that by shifting a small portion of the equalization complexity to the transmitter side, the required optical power to reach a bit‐error rate of is reduced by 7.3% for zero‐forcing and 6.8% for minimum mean square error post‐equalizers. the noise increase by the post‐equalizer is reduced by 6.9 % when including the pre‐equalizer with just two filter taps. Compared to an equalization scheme that solely relies on a zero‐forcing post‐equalizer, the suggested joint pre‐ and post‐equalization scheme is able to improve the bit‐error rate performance by an average of 7.15 %. A testbed experiment with a 250 m multi‐mode fiber channel and a data rate of 2.5 Gbps operating at 1550 nm confirms these simulation results.
Prominence instability and CMEs triggered by massive coronal rain in the solar atmosphere
Authors: Vashalomidze Z. , Zaqarashvili T. V. , Kukhianidze V. , Ramishvili G. , Hanslmeier A. , Gömöry P.
Published: January 2022

Context. The triggering process for prominence instability and consequent coronal mass ejections (CMEs) is not fully understood. Prominences are maintained by the Lorentz force against the gravity; therefore, reduction of the prominence mass due to the coronal rain may cause the change of the force balance and hence destabilisation of the structures.

Aims. We aim to study the observational evidence of the influence of coronal rain on the stability of prominence and subsequent eruption of CMEs.

Methods. We used the simultaneous observations from the Atmospheric Imaging Assembly (AIA) of Solar Dynamics Observatory (SDO) and Sun Earth Connection Coronal and Heliospheric Investigation (SECHHI) of Solar Terrestrial Relations Observatory (STEREO) spacecrafts from different angles to follow the dynamics of prominence and to study the role of coronal rain in their destabilisation.

Results. Three different prominences observed during the years 2011–2012 were analysed using observations acquired by SDO and STEREO. In all three cases, massive coronal rain from the prominence body led to the destabilisation of prominence and subsequently to the eruption of CMEs. The upward rising of prominences consisted of the slow and fast rise phases. The coronal rain triggered the initial slow rise of prominences, which led to the final instability (the fast rise phase) after 18–28 h in all cases. The estimated mass flux carried by coronal rain blobs showed that the prominences became unstable after 40% of mass loss.

Conclusions. We suggest that the initial slow rise phase was triggered by the mass loss of prominence due to massive coronal rain, while the fast rise phase (the consequent instability of prominences) was caused by the torus instability and/or magnetic reconnection with the overlying coronal field. Therefore, the coronal rain triggered the instability of prominences and consequent CMEs. If this is the case, then the coronal rain can be used to predict the CMEs and hence to improve the space weather predictions.
High-resolution transmission spectroscopy study of ultra-hot Jupiters HAT-P-57b, KELT-17b, KELT-21b, KELT-7b, MASCARA-1b, and WASP-189b
Authors: Stangret M. , Casasayas-Barris N. , Pallé E. , Orell-Miquel J. , Morello G. , Luque R. , Nowak G. , Yan F.
Published: January 2022

Ultra-hot jupiters (UHJs) are giant planets on short orbital periods with high equilibrium temperature (Teq) values. Their hot, extended atmospheres are perfect laboratories for transmission spectroscopy studies based on high-resolution spectrographs. In recent years, a variety of atoms and molecules were found in their atmospheres, using different methods such as cross-correlation or transmission and emission spectroscopy. Here, we present the studies of six ultra-hot Jupiters: HAT-P-57b, KELT-7b, KELT-17b, KELT-21b, MASCARA-1b, and WASP-189b, based on high-resolution observations obtained with HARPS-N and HARPS spectrographs. By applying line and cross-correlation transmission spectroscopy methods, we searched for the absorption features of a broad range of atomic and molecular species. We did not detect any absorption features in our sample of UHJs, with the exception of WASP-189b, for which we detected Fe I, Fe II, and Ti I using cross-correlation. The transmission spectroscopy of single lines for WASP-189b revealed several absorption features (including Hα, Hβ, and Ca H&K), but they remain tentative pending a better modeling of the gravity darkening deformation of the Rossiter-McLaughlin effect. The non-detections with regard to the rest of the planets can be explained via a combination of stellar pulsations and the Rossiter-McLaughlin effect, which mask possible planetary signals for most of the planets, and by the low signal-to-noise ratios of the observations for KELT-21b. Here, we compare our results with the known population of planets for which atmospheric detections have been reported in the literature. We find that the empirical frontier between hot and ultra-hot planets, based on the detection of atomic and ionized species in their atmospheres, can be established as Teq = 2150 K.
Current state of the seismic broadband network of Indonesia: Is it possible for the early warning system from a subaerial source-induced tsunami?
Authors: Haridhi Haekal A. , Sianipar Dimas , Purnawan Syahrul , Setiawan Ichsan , Huang Bor-Shouh
Published: January 2022

Lesson learned from the Anak Krakatau volcanic eruption followed by the tsunami on 22 December 2018 has generated a huge gap in the readiness of the Indonesian early warning system to detect such an event. Consequently, the official was found it difficult to broadcast the right warning within a considerable time to the local residences to evacuate or take necessary actions, which resulted in the loss of life and properties. There were more than 430 people died, and countless properties were destroyed when the tsunami swept the coastlines of southern Sumatra and western Java. While, this event is among the perfect events to study about the subaerial slide since it was occurred on near-surface with moderate magnitude M5.9 and creates the subaerial slide during the process (flank collapsed), and the broadband seismic stations managed by the Agency for Meteorology, Climatology, and Geophysics (BMKG) are already established and record the signal. Usually, the seismic source from the eruption was not complicated, and the seismic signal that recorded by the BMKG broadband seismic stations should correspond to the subaerial slide processes. Since Indonesia is an archipelago nation, the seismic station managed by the BMKG is distributed on the island with a distance ranging from a couple of kilometers to a tenth of kilometers away between stations. For this reason, this study tries to highlight several important suggestions in order to improve the detection using the signal recorded by the BMKG broadband seismic stations relate to such an event.
Vulnerability study of a two-story reinforced concrete school building structure in Banda Aceh toward earthquakes and tsunami hazards
Authors: Zahrah Sausan , Fawzul Muhammad , Afif Aziim
Published: January 2022

Banda Aceh city is an earthquake-prone area. One is the phenomenon that a magnitude 9,3 Mw and subsequent tsunami wave occurred in 2004. The incident caused casualties and damage to facilities including educational facilities such as school buildings. After the 2004 Tsunami, affected school was rebuilt in same location as before, therefore necessary to conduct an assessment of school building to ensure safety and comfort of learning process in affected area. The purpose of this study was to determine structure capacity of reinforced concrete school building structure toward earthquake and Tsunami in Banda Aceh, so it can see contruction vulnerability based on table of damage state. Objects in this study was a typical two-story reinforced concrete school buildings in Banda Aceh. The chosen building were SDN 48 and SDN 8. Structures were modelled by using SAP2000 software. Earthquake load data using the 2004 Sumatera-Andaman earthquake and Puskim earthquake-predictions which were analyzed using pushover method, and tsunami loads based on the height of inundation at location of school building. As a results, it has been developed capacity curve and spectrum capacity curve to determine damage limit and probability due to earthquake and tsunami hazards. It was found that based on spectrum capacity curve both school buildings in slight damage, while based on fragility curve it was found that both school building have a risk of light damage and moderate damage. Based on tsunami load, it has been found that both school building has inter-story drift that exceeds allowable limit, and based on tsunami fragility curve both school building were predicted complete damage.
Disaster mitigation efforts based on community in coastal area of desa Berdaya Mirring
Authors: Nurmansyah  , Alghina Micha Grandisa Neneng
Published: January 2022

Indonesia is one of the countries that is categorized as a disaster-prone country. BNPB noted an increase in the number of disasters in Indonesia in the last 10 years, including earthquakes, volcanic eruptions to tidal waves and abrasion. West Sulawesi is one of the provinces prone to disasters, one of which is in Mirring Village, Polewali Mandar. Mirring Village is a coastal area that is prone to coastal abrasion and tidal waves, therefore the area is planted with mangroves to withstand tidal waves from the sea. Unfortunately, the people of Mirring village did not understand the function of the mangrove until finally Rumah Zakat through Relawan Inspirasi came to provide education regarding the use of mangroves, disaster mitigation to become a disaster-resilient family and an economically resilient family. This research is a descriptive study using a qualitative approach. The data collected with interview with 17 respondents. The results show that the community welcomes the community empowerment program towards a disaster-resilient village by Rumah Zakat. The community has understood the function of mangroves and participated in disaster training to become disaster-resilient families. The community also initiated the existence of crab ponds and mangrove cultivation which later could become their source of income and form an economically resilient family.
Research in disaster and social capital: Mapping out the themes and findings
Authors: Mulyany Ratna , Hulwani Zuhri Zata , Fahlevi Heru
Published: January 2022

Research in the field of disaster has been growingly and widely conducted primarily in response to the local and global disaster phenomena which has also witnessed an increasing trend over the time. Meanwhile, social capital has been recognized as a key element in disasters’ recovery and resilience. This study employs qualitative standpoint to identify the findings and themes of research linking the issues of disaster and social capital. In selecting and critically appraising all the relevant studies in the topic of disaster and social capital, systematic review method was adopted. Using the Scopus database to identify relevant articles, this study reviewed 39 articles published in (accounting and business) journals indexed in Scopus from 1990 to 2020. The finding identifies several research themes within the interaction of disaster and social capital. Five sub-clusters were identified consisting of research focused on bridging social capital, bonding social capital, the factors, the role, social participation, and obstacles. Findings from each sub-cluster were mapped out and it generally indicates somehow synchronous patterns of findings from each cluster indicating the various essential roles of social capital were highlighted for the disaster resilience and recovery process.
Preventing COVID-19 pandemic outbreak: physical distancing and the socio-economic wisdom of local community in Aceh, Indonesia
Authors: Gunawan  , Furqani Hafas , Mulyany Ratna , Dewi Ernita
Published: January 2022

Human as a social being have an instinct to live together and interact with one another. Nevertheless, COVID-19 has significantly limited face to face interaction. In a local community such as Aceh, Indonesia, such situation makes the community somewhat indifferent as their traditions carried out so far are actually interacting closely with each other as a form of intimacy. This research aims to explore the problem of physical distancing based on local wisdom in Acehnese society. Qualitative approach was utilized with data from field study and library research. This study found that there still exist various local wisdoms in Aceh community which are parallel in the current recommended mechanism in avoiding the spread of COVID-19. The socio-economic ties are also still strong among the local population who believe in tradition which prevent the COVID-19 outbreak. This study implies that local wisdom which have been applied by Acehnese for years could be one of solutions to mitigate the COVID-19 outbreak.
Medical doctors and community engagement in the aftermath of a disaster
Authors: Indah Rosaria
Published: January 2022

Medical doctors conduct many health care and promotion activities after a disaster. However, there are limited studies on how doctors engage disaster-affected community members during the activities. This paper aims to examine medical doctors’ experiences in engaging their community during the rehabilitation period after a big disaster. The study is based on a more extensive ethnographic study at disaster-affected health centers and communities in Aceh. The researcher conducted interviews with eleven community doctors and 45 hours of participant observations involving three doctors. Findings show different levels of community engagement in the doctor participants’ experiences. Most of them only ‘informed’ rather than ‘engaged’ the disaster-affected patient and community. This paper calls for the enactment of community engagement in healthcare practices and education.
Gaussian mixture model for the unsupervised classification of AgCu nanoalloys based on the common neighbor analysis
Authors: Roncaglia Cesare
Published: January 2022

In this short communication we describe the results obtained from the application of the Gaussian mixture model, a popular unsupervised learning algorithm, to some modified data sets gained after the global optimizations of three different AgCu nanoalloys. In particular we highlight both positive and negative aspects of such an approach to this kind of data. We show indeed that thanks to the Common Neighbor Analysis we are still able to describe nanoalloys well enough to exploit a physically meaningful separation in different structural families, even with a very low-dimensional representation. On the other hand, we show that the imposition of an energy cutoff over the data set is a delicate matter since it forces us to find a tradeoff between having a large set of data and having clean data.
Separation of manganese isotopes by resonance ionization mass spectrometry for 53Mn half-life determination
Authors: Kneip Nina , Studer Dominik , Kieck Tom , Ulrich Jiri , Dressler Rugard , Schumann Dorothea , Wendt Klaus
Published: January 2022

We report on the production of ultra-pure samples of the long-lived radioisotope 53Mn for precision measurements of its half-life. Activated samples from a copper beam dump from PSI, which was irradiated with 590 MeV protons, were used for extraction of the manganese fraction. Following initial radiochemical purification, efficient three-photon laser resonance ionization of manganese inside a hot-cavity laser ion source was applied for subsequent isotope selection in a 30 keV high transmission magnetic mass separator. A new ionization scheme was developed and characterized for 53Mn implantation. In this way the isobar 53Cr and the Mn isotopes 54,55Mn are quantitavely removed, with a special focus on the radioactive 54Mn isotope. Microgram quantities of 53Mn were implanted into Al targets with an isotopic and isobaric purity of well above 103. An overall efficiency of the enrichment process of about 15% was demonstrated.
Hilfreiches therapeutisches Klima
Authors: Blumenrode Stefan
Published: January 2022

Pflegetherapeutische Gruppenangebote sind ein wichtiges und seit vielen Jahren etabliertes Instrument in der psychiatrischen Pflege. Sie fördern die Beziehungs- und Milieugestaltung, wirken sich positiv auf eine gesunde Lebensführung des Patienten aus und helfen ihm, sich mit seiner Erkrankung auseinanderzusetzen. Im Schwerpunkt stellen wir das Projekt „Pflegetherapeutische Gruppen“ am Klinikum Stuttgart vor und schildern, was diese Intervention so besonders macht.
Treatment of Postoperative Lymphatic Leakage Applying Transpedal Lymphangiography – Experience in 355 Consecutive Patients
Authors: Pan Feng , Richter Goetz M , Do Thuy Duong , Kauczor Hans-Ulrich , Klotz Rosa , Hackert Thilo , Loos Martin , Sommer Christof M.
Published: January 2022

Purpose Report of experience from a single institution in treating postoperative lymphatic leakage (PLL) applying conventional transpedal lymphangiography (TL).

Materials and Methods 453 patients with the initial diagnosis of PLL receiving TL between 03/1993 and 09/2018 were identified in the database. Only patients with confirmed PLL were included in the study. The technical success, safety, and treatment success of TL were evaluated. Independent predictors of TL treatment failure were examined using univariate and multivariate logistic regression analysis.

Results 355 consecutive patients (218 men, 137 women; median age of 62 years) who underwent TL for PLL (e. g., chylothorax) after ineffective conservative treatment were included. The median time between causal surgery and TL was 27 days. The median technical success rate of TL was 88.5 %, with a median volume of Lipiodol of 10.0 ml. No complication of TL was recorded. Three groups were defined according to the different clinical courses: group A (41/355, 11.5 %) – TL with technical failure; group B (258/355, 72.7 %) – “therapeutic” TL alone with technical success; and group C (56/355, 15.8 %) – “diagnostic” TL with simultaneously invasive treatment (incl. surgical revision and percutaneous sclerotherapy). Treatment success rate and median time to treatment success were higher in group C than in group B, but without significant differences (64.3 % vs. 61.6 %, p = 0.710; six vs. five days, p = 0.065). Univariate and multivariate logistic regression analyses for group B confirmed drainage volume (> 500 ml/d) and Lipiodol extravasation as independent predictors of TL clinical failure (odds ratios [ORs] of 2.128 and 2.372 [p = 0.005 and p = 0.003, respectively]).

Conclusion TL is technically reliable, safe, and effective in treating PLL. When conservative treatment fails, TL can be regarded as the next treatment option.

Key Points: 

Citation Format
Fully Automated Artery-Specific Calcium Scoring Based on Machine Learning in Low-Dose Computed Tomography Screening
Authors: Winkelmann Moritz T. , Jacoby Johann , Schwemmer Chris , Faby Sebastian , Krumm Patrick , Artzner Christoph , Bongers Malte N.
Published: January 2022

Purpose Evaluation of machine learning-based fully automated artery-specific coronary artery calcium (CAC) scoring software, using semi-automated software as a reference.

Methods A total of 505 patients underwent non-contrast-enhanced calcium scoring computed tomography (CSCT). Automated, machine learning-based software quantified the Agatston score (AS), volume score (VS), and mass score (MS) of each coronary artery [right coronary artery (RCA), left main (LM), circumflex (CX) and left anterior descending (LAD)]. Identified CAC of readers who annotated the data with semi-automated software served as a reference standard. Statistics included comparisons of evaluation time, agreement of identified CAC, and comparisons of the AS, VS, and MS of the reference standard and the fully automated algorithm.

Results The machine learning-based software correlated strongly with the reference standard for the AS, VS, and MS (Spearmanʼs rho > 0.969) (p < 0.001), with excellent agreement (ICC > 0.919) (p < 0.001). The mean assessment time of the reference standard was 59 seconds (IQR 39–140) and that of the automated algorithm was 5.9 seconds (IQR 3.9–16) (p < 0.001). The Bland-Altman plots mean difference and 1.96 upper and lower limits of agreement for all arteries combined were: AS 0.996 (1.33 to 0.74), VS 0.995 (1.40 to 0.71), and MS 0.995 (1.35 to 0.74). The mean bias was minimal: 0.964–1.0429. Risk class assignment showed high accuracy for the AS in total (weighed κ = 0.99) and for each individual artery (κ = 0.96–0.99) with corresponding correct risk group assignment in 497 of 505 patients (98.4 %).

Conclusion The fully automated artery-specific coronary calcium scoring algorithm is a time-saving procedure and shows excellent correlation and agreement compared with the clinically established semi-automated approach.

Key points: 

Citation Format
Addition/Substitution Approach of TsNHCH2SiMe2CH2Cl with Isocyanates or Isothiocyanates To Construct 1,3,5-Diazasilinan-2-ones or 1,3,5-Thiazasilinan-2-imines
Authors: Li Yi , Hu Tianbao , Gao Lu , Song Zhenlei
Published: January 2022

TsNHCH2SiMe2CH2Cl has been exploited as a 1,4-dipole synthon for the synthesis of 1,3,5-diazasilinan-2-ones by a sequential N-addition/N-substitution process with isocyanates, or for the synthesis of 1,3,5-thiazasilinan-2-imines with isothiocyanates by a sequential N-addition/S-substitution process.
Endoscopic intermuscular dissection for deep submucosal invasive cancer in the rectum: a new endoscopic approach
Authors: Moons Leon M. G. , Bastiaansen Barbara A. J. , Richir Milan C. , Hazen Wouter L. , Tuynman Jurriaan , Elias Sjoerd G. , Schrauwen Ruud W M. , Vleggaar Frank P. , Dekker Evelien , Bos Philip , Fariña Sarasqueta Arantza , Lacle Miangela , Hompes Roel , Didden Paul
Published: January 2022

Background The risk of lymph node metastasis associated with deep submucosal invasion should be balanced against the mortality and morbidity of total mesorectal excision (TME). Dissection through the submucosa hinders radical deep resection, and full-thickness resection may influence the outcome of completion TME. Endoscopic intermuscular dissection (EID) in between the circular and longitudinal part of the muscularis propria could potentially provide an R0 resection while leaving the rectal wall intact.

Methods In this prospective cohort study, the data of patients treated with EID for suspected deep submucosal invasive rectal cancer between 2018 and 2020 were analyzed. Study outcomes were the percentages of technical success, R0 resection, curative resection, and adverse events.

Results 67 patients (median age 67 years; 73 % men) were included. The median lesion size was 25 mm (interquartile range 20–33 mm). The rates of overall technical success, R0 resection, and curative resection were 96 % (95 %CI 89 %–99 %), 81 % (95 %CI 70 %–89 %), and 45 % (95 %CI 33 %–57 %). Only minor adverse events occurred in eight patients (12 %).

Conclusion EID for deep invasive T1 rectal cancer appears to be feasible and safe, and the high R0 resection rate creates the potential of rectal preserving therapy in 45 % of patients.
Human behavior and judgment: A critical nano-foundation for the Uppsala model and international business studies
Authors: Vahlne Jan-Erik , Schweizer Roger
Published: January 2022

Economists and researchers of decision-making and business behavior increasingly rely on findings from the field of economic psychology. We argue that, by following a similar route, knowledge of firms’ internationalization is considerably enriched. The aim of this commentary is to point to the potential of including insights from research on human cognition and judgment in explaining internationalization behavior. We offer some examples relying upon commitments and knowledge development as outlined in the Uppsala model and thereby propose a conceptualization linking the nano- and micro-levels within the model.
Gender and feminist considerations in artificial intelligence from a developing-world perspective, with India as a case study
Authors: Kumar Shailendra , Choudhury Sanghamitra
Published: January 2022

This manuscript discusses the relationship between women, technology manifestation, and likely prospects in the developing world. Using India as a case study, the manuscript outlines how Artificial Intelligence (AI) and robotics affect women’s opportunities in developing countries. Women in developing countries, notably in South Asia, are perceived as doing domestic work and are underrepresented in high-level professions. They are disproportionately underemployed and face prejudice in the workplace. The purpose of this study is to determine if the introduction of AI would exacerbate the already precarious situation of women in the developing world or if it would serve as a liberating force. While studies on the impact of AI on women have been undertaken in developed countries, there has been less research in developing countries. This manuscript attempts to fill that need.
Low-temperature magnetoresistance of multi-walled carbon nanotubes with perfect structure
Authors: Ovsiienko I. V. , Len T. A. , Mirzoiev I. G. , Beliayev E. Yu. , Gnida D. , Matzui L. Yu. , Heraskevych V. M.
Published: January 2022

The magnetoresistance of multi-walled carbon nanotubes is studied in the temperature range 4.2–200 K and magnetic fields up to 9 T. The magnetoresistance is negative in the whole temperature range. For small magnetic fields and low temperatures, the dependence of the relative conductivity on the magnetic field is quadratic. However, as the magnetic field increases, it becomes logarithmic, which may be described by weak localization and charge carriers’ interaction models. We show that the addition to conductivity due to the charge carriers’ weak localization significantly exceeds the addition due to the effect of the charge carriers’ interaction. The Fermi energy and the charge carriers’ interaction constant were estimated in terms of these models using the experimental data on the magnetoresistance field and temperature dependences. Also, we determined the exact form for the temperature dependence of the phase relaxation time of the charge carriers’ wave function.
To the numerical simulation of the correlation picture in Dicke superradiance
Authors: Lyagushyn S.
Published: January 2022

The paper discusses some approaches to elucidating the picture of electromagnetic field correlations emerging and developing in the Dicke system of two-level atoms interacting via field. Based on the reduced description method, a set of differential equations for the reduced description parameters including field correlation functions is constructed using different quantum evolution pictures and regarding field-matter interaction as a small parameter. Calculations are based on the electrodynamics of continuous media. Meaningful results are obtained in the second-order in interaction. The material equations are found in the class of generalized functions and the material coefficients are estimated in the dependence of coordinates for applying to the spatial description of correlations. Initial and border conditions are discussed. A simplified form of the set of equations is proposed for the initial stage of the process with the supposition about the fixed orientation of emitters acceptable for a one-dimensional system.
Propagation and localization of phonons in graphite and graphene nanofilms
Authors: Feodosyev S. B. , Gospodarev I. A. , Sirenko V. A. , Syrkin E. S. , Bondar I. S. , Minakova K. A.
Published: January 2022

The nature of flexural rigidity of graphene monolayers and the formation of the quasi-flexural modes in graphite and graphene nanofilms is explained. It is shown, that in the major part of the band of quasi-continuous spectrum, quasi-flexural modes do not practically couple with the modes polarized in the plane of the layer. The frequencies of the propagone zone are determined for the phonons with various polarizations. The existence of a high-frequency propagation zone is demonstrated for quasi-flexural phonons. The conditions for the formation of quasi-local vibrations and boson peaks are analyzed for modes with different polarization. The conditions for the formation of the quasi-local vibrations and boson peaks in the modes of different polarization are analyzed.
Concentration, thermodynamic density of states, and entropy of electrons in semiconductor nanowires
Authors: Gulyamov G. , Davlatov A. B. , Juraev Kh. N.
Published: January 2022

Approximate equations for the concentration of charge carriers, the thermodynamic density of states, and the entropy of electrons in semiconductor nanowires are obtained. To find the charge carrier concentration, the equation for the total number of particles was used. Using various approximate expressions for the Fermi–Dirac distribution function, approximate equations for charge carrier concentration, thermodynamic density of states, and entropy are obtained, and graphs of their dependences on the chemical potential at different temperatures are constructed and analyzed. The graphs of the temperature dependence of the chemical potential are presented and analyzed. Using the thermodynamic density of states, the temperature dependences of the energy levels and the thermal coefficients of changes in these levels are obtained.
Large area CdxHg1−xTe photodiode with picosecond response time τRC
Authors: Ismayilov N. J. , Rajabli A. A.
Published: January 2022

The design and manufacturing technology of high-quality CdxHg1−xTe n+−n−p−p+-type mesaphotodiodes ∅ 300 μm for the spectral range of 3–5 μm are presented. The features of the design and technology as well as the main characteristics of the manufactured photodiodes are presented. It is shown that the use of a semitransparent nickel layer 5 nm thick deposited on the surface of the n+ layer makes it possible to reduce the series resistance Rser to 1–2 Ohm and the response time to 10−11 s.
Local dynamical characteristics of a molecular aggregate under the action of the bichromatic electromagnetic field
Authors: Ropakova I. Yu. , Zvyagin A. A.
Published: January 2022

Several dynamical characteristics of the impurity coupled to the linear molecular aggregate under the action of the bichromatic electromagnetic field are calculated. Both the exciton band and the local levels, caused by the impurity, can contribute to the local dynamical characteristics of the impurity. We have shown that the bichromatic electromagnetic field produces combined resonances, which manifest themselves in all dynamical characteristics of the system. We have also shown that one can observe resonance features of the dynamical characteristics at frequencies (or wavelengths) in the diapason far beyond the frequencies of the molecular aggregate and the impurity.
Frequency tunable laser closes in on terahertz gap
Authors: Piccone Ashley
Published: January 2022

Using methyl fluoride as a new gain medium, the quantum cascade laser-pumped molecular laser covers 120 lines from 0.25 to 1.3 terahertz.
The thermomechanics of particulate composite mock energetic materials in response to high-frequency (1–100 kHz) excitation
Authors: Range Allison R. , McMindes Nicole R. , Morris Jacob , Geesey Bryce A. , Rhoads Jeffrey F.
Published: January 2022

This work seeks to explore the macroscale, thermomechanical response of polymer-bonded composite energetic materials in their inert form to high-frequency mechanical excitation in the range of 1–100 kHz. Cylindrical samples were fabricated according to a mock PBXN-109 formulation, consisting of hydroxyl-terminated polybutadiene, mock RDX material (sucrose), and varying ratios of spherical aluminum powder. Experiments were performed utilizing laser Doppler vibrometry and infrared thermography in order to analyze the thermal and mechanical response of the samples when mechanically excited using a piezoelectric shaker. Thermal analysis of the samples revealed temperature rises on the order of 4°C/min, with several samples reaching 100°C within a 15 min experiment. Generally, formulations containing a higher weight percentage of aluminum additive content tended to exhibit greater temperature increases than those with pure sucrose embedded in the binder. The investigation presented herein serves as an advancement toward the complete characterization of these composite materials in this frequency range.
The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations
Authors: Palmer Michael H. , Coreno Marcello , de Simone Monica , Grazioli Cesare , Jones Nykola C. , Hoffmann Søren Vrønning , Aitken R. Alan
Published: January 2022

A synchrotron-based photoionization spectrum of azulene shows a significant additional vibrational fine structure when compared to previous studies. This spectrum was successfully analyzed by using Franck–Condon (FC) methods. Previously reported zero-kinetic-energy electron spectra for azulene have been reinterpreted in FC terms, leading to some alternative assignments to the earlier work. The sequence of ionic states has been determined by using ab initio configuration interaction (CI) methods, leading to reliable theoretical values for both the calculated adiabatic ionization energy (AIE) and vertical ionization energy (VIE). VIEs were calculated by both symmetry-adapted cluster (SAC-CI), together with Green’s function (GF) and Tamm–Dancoff approximation (TDA), and single excitation CI methods; AIEs for highest states of each symmetry were determined by open-shell self-consistent field (SCF) methods at the restricted Hartree–Fock level. Complete active space SCF was used for the pairs of 12A2 + 22A2 and 12B1 + 22B1 states, each of which occurs as antisymmetric and symmetric (higher energy) combinations. The combined ionic state sequences (AIE and VIE) from these methods are 12A2 < 12B1 < 22A2 < 22B1. The photoelectron spectrum (PES) shows a series of broadbands above 11 eV, each of which is attributed to more than one ionization. The calculated PES sequence of states of up to 19 eV shows that the SAC-CI and GF results are in almost exact agreement. The internal spacing of the bands is best reproduced by the simpler GF and TDA methods. States involving simultaneous ionization and electronic excitation are considered by both SAC-CI and TDA methods.
A general equation of state for high density matter from thermodynamic symmetry
Authors: Xue Ti-Wei , Guo Zeng-Yuan
Published: January 2022

A general and simple equation of state (EOS) is a rich source for research and discussion. Experience shows that high-density matter exhibits simple regularities and some “universal” EOSs have been established. Here, we present an ideal dense matter EOS that is symmetric to the ideal gas EOS by means of Oettingen's dual approach. The ideal dense matter EOS makes no assumptions about the structure of matter and is, therefore, general. Thermodynamic symmetry requires that the ideal dense matter EOS has better agreements with matter at higher densities, which is supported by some empirical equations and actual property data of various substances. Two derivative variables that have historically been overlooked, i.e., the specific work at constant entropy and the specific work at constant temperature, are rejuvenated in the ideal dense matter EOS. Additionally, we find another physical constant related to thermodynamic property of matter symmetric to the ideal gas constant and further give its estimated values for several common substances. Thermodynamic symmetry suggests that the ideal dense matter EOS has the same theoretical location as the ideal gas EOS. It is another basis for the EOS theory and enriches the dual framework of thermodynamics.
Concurrent thermal conductivity measurement and internal structure observation of individual one-dimensional materials using scanning transmission electron microscopy
Authors: Li Dawei , Li Qin-Yi , Ikuta Tatsuya , Takahashi Koji
Published: January 2022

The thermal conductivity of individual nanomaterials can vary from sample to sample due to the difference in geometries and internal structures, and thus, concurrent structure observation and thermal conductivity measurement at the nanoscale are highly desired but challenging. Here, we have developed an experimental method that allows concurrently the in situ thermal conductivity measurement and the real-time internal structure observation of a single one-dimensional (1D) material using scanning transmission electron microscopy (STEM) in a scanning electron microscope. In this method, the two ends of the 1D nanomaterial are bonded on a tungsten probe and a suspended platinum nanofilm, respectively. The platinum nanofilm serves simultaneously as a heater and a resistance thermometer, ensuring highly sensitive thermal measurements. The platinum nanofilm is fabricated on the edge of the silicon wafer so that the electron beam can transmit through the 1D material and be detected by the STEM detector, which caters for real-time observation of the inner nanostructure. Using this method, we in situ measured the thermal conductivities of two cup-stacked carbon nanotubes and concurrently observed the internal hollow structures. We found that the sample with more structural disorders had a lower thermal conductivity. Our measurement method can pave the way to the sample-by-sample elucidation of the structure–property relationship for 1D materials.
Platforms to accelerate biomanufacturing of enzyme and probiotic animal feed supplements: discovery considerations and manufacturing implications
Authors: Speight Robert E. , Navone Laura , Gebbie Leigh K. , Blinco Jo-Anne L. , Bryden Wayne L.
Published: January 2022

Probiotics and enzymes are important components of the global livestock feed supplement market, which is expected to be approximately US$56 billion by 2027. They make essential contributions to animal health and productivity and are very important for on-farm economics, as well as feed supplement and bulk feed businesses. Despite the variety of on-market products, there remains a strong drive to develop new function or more effective enzymes (e.g. more active or stable) and probiotics (e.g. for specific health or nutrition requirements) that can be produced economically and commercialised to gain market share. Various large and established supplement development, manufacture and supply companies with highly refined, efficient and vertically integrated processes dominate the market. In contrast, many challenges exist for less established players, such as feed companies, large farming corporations, start-up companies and the research community, to develop and commercialise improved feed supplements. These less established players may have niche markets or needs or may have identified highly novel candidate products through basic or collaborative academia-industry applied research. In these situations, the path from discovery and development to a commercial product is unclear and likely to be very challenging. However, the risk of not progressing is that the value of research investments is not realised, or the needs of specific niche markets are not met. For these situations, new pathways to market based on rapid discovery, production (at various scales), and testing feedback loops, along with appropriate intellectual property management and clear regulatory strategies need to be established. To deliver these new pathways, it is essential to define key performance, production and economic criteria, have a rapid route from laboratory to pilot-scale manufacture and livestock feeding trials, and include all the necessary participants in the value chain from research development, manufacturing, distribution, and regulatory management to the end user. These issues are discussed with reference to the current state-of-the-art and our development of new pathways for a specific enzyme and probiotic based on efficient laboratory-to-market platforms. Although new supplements have been brought closer to market, challenges remain regarding scaling to commercial manufacture for new products without an established market.