bluuebunny/crossref_metadata_2025 huggingface dataset:
Fluorescent small molecules with alternating triarylamine-substituted selenophenothiophene and triarylborane: synthesis, photophysical properties and anion sensing studies
Authors: Turkoglu Gulsen , Ozturk Turan
Published: January 2022

This study represents the first report of designed two small D–π-A molecules possessing conjugated selenopheno[3,2-b]thiophene and triarylamine derivatives as electron donors, and thiophene as π-spacer with dimesitylborane as an electron acceptor.
Solution-processed light-induced multilevel non-volatile wearable memory device based on CsPb2Br5 perovskite
Authors: Paul Tufan , Sarkar Pranab Kumar , Maiti Soumen , Sahoo Aditi , Chattopadhyay Kalyan Kumar
Published: January 2022

Despite the recent advancements in memory devices, the quest for building materials with low power consumption is still on, with the ultimate focus on the durability of the system and reliability and reproducibility of its performance.
Superstructure MOF as a framework to composite MoS2 with rGO for Li/Na-ion battery storage with high-performance and stability
Authors: Xu Lei , Gong Zhipeng , Qiu Yinglin , Wu Wenbo , Yang Zunxian , Ye Bingqing , Ye Yuliang , Cheng Zhiming , Ye Songwei , Shen Zihong , Zhou Yuanqing , Huang Qiaocan , Hong Zeqian , Meng Zongyi , Zeng Zhiwei , Hong Hongyi , Lan Qianting , Guo Tailiang , Xu Sheng
Published: January 2022

The hybrid with super-structures is an effective strategy to improve their electrochemical performance. The Fe7S8-C/ZnS-C@MoS2/rGO sample delivered high reversible capacities in Lithium/sodium storage.
Photo- and triboluminescent pyridinophane Cu complexes: new organometallic tools for mechanoresponsive materials
Authors: Karimata Ayumu , Khusnutdinova Julia R.
Published: January 2022

We summarize the development of Cu complexes with conformationally fluxional pyridinophane ligands as new organometallic tools to make versatile mechanoresponsive polymers, where mechanical action on the bulk material exerts an effect on molecular behavior, and vice versa.
Benzothiazole-decorated iridium-based nanophotosensitizers for photodynamic therapy of cancer cells
Authors: Wang Xiang , Song Kang , Deng Yong , Liu Jie , Peng Qin , Lao Xiao , Xu Jiayu , Wang Dong , Shi Turong , Li Yuhao , Deng Dan , Miao Yuqing
Published: January 2022

A folic acid-modified amphiphilic polymer wraps iridium complexes to form three nanophotosensitizers that are applied for cancer cell photodynamic therapy.
A supported Cr–Cr sextuple bond in an all-metal cluster
Authors: Liu Xingman , Zhang Min , Liu Yingtao , Wu Shuixing , Su Zhongmin
Published: January 2022

The introduction of alkali metals weakens the 4s–4s effect but strengthens its five 3d–3d overlaps between Cr–Cr atoms, eventually resulting in a stronger Cr–Cr sextuple bond with an ultra-short Cr–Cr distance in an all-metal cluster.
Gently does it!: in situ preparation of alkali metal–solid electrolyte interfaces for photoelectron spectroscopy
Authors: Gibson Joshua S. , Narayanan Sudarshan , Swallow Jack E. N. , Kumar-Thakur Pardeep , Pasta Mauro , Lee Tien-Lin , Weatherup Robert S.
Published: January 2022

In situ deposition is critical to studying interfacial reactions between alkali-metals and solid electrolytes. The species formed on Li6PS5Cl are found to vary with deposition method, with impingement of more energetic atoms causes physical damage.
Pathways of ammonia electrooxidation on nickel hydroxide anodes and an alternative route towards recycled fertilizers
Authors: Medvedev Jury J. , Tobolovskaya Yulia , Medvedeva Xenia V. , Tatarchuk Stephen W. , Li Feng , Klinkova Anna
Published: January 2022

Ni(OH)2-catalyzed electrochemical oxidation of ammonia can be used for the synthesis S- or P-containing NH4NO3-based fertilizers with up to 72% faradaic efficiency and up to 98% ammonia removal efficiency.
Metabolomics assessment of vitamin D impact in Pam3CSK4 stimulation
Authors: Baloyi N. N. , Tugizimana F. , Sitole L. J.
Published: January 2022

The metabolic reconfigurations induced by vitamin D in bacterial infection was explored through NMR-based metabolomics. Chemometric modelling revealed significant differences in metabolites linked to bioenergy production and protein synthesis.
Water stable, red emitting, carbon nanoparticles stimulate 3D cell invasion via clathrin-mediated endocytic uptake
Authors: Singh Udisha , Teja Aditya Guduru , Walia Shanka , Vaswani Payal , Dalvi Sameer , Bhatia Dhiraj
Published: January 2022

Bright fluorescent nanoparticles with excitation and emission towards the red end of the spectrum are highly desirable in the field of bioimaging.
An expedient, efficient and solvent-free synthesis of T3P®-mediated amidation of benzhydrols with poorly reactive N-nucleophiles under MW irradiation
Authors: Cheruku Srinivas , Nagarakere Sandhya C. , Sunilkumar Makanahalli P. , Narayana Yatheesh , Manikyanally Kumara N. , Rangappa Kanchugarakoppal S. , Mantelingu Kempegowda
Published: January 2022

An expedient, efficient, economical, environmentally benign, and solvent free amidation protocol of benzhydrols with less reactive nitrogen nucleophiles assisted by propylphosphonic anhydride (T3P®) under microwave irradiation has been developed.
The enantioseparation and determination of sulconazole enantiomers in rat plasma and tissues by a chiral HPLC–ESI–MS/MS method and its application to studies on stereoselective pharmacokinetics and tissue distribution
Authors: Ma Siman , Wang Lina , Guo Guoxian , Tang Jing , Yu Jia
Published: January 2022

In our study, a chiral high performance liquid chromatography–electrospray ionization coupled with tandem mass spectrometry (HPLC–ESI–MS/MS) method for enantioselective analysis of sulconazole in rat plasma and tissues was developed and validated.
In vitrocytotoxicity and antibacterial activity of [Pd(AMTTO)(PPh3)2]: a novel promising palladium(ii) complex
Authors: Goudarzi Atousa , Ghassemzadeh Mitra , Saeidifar Maryam , Aghapoor Kioumars , Mohsenzadeh Farshid , Neumüller Bernhard
Published: January 2022

The synthesis and characterization of a novel palladium complex based on a bioactive 3-mercapto-1,2,4-triazine derivative have been investigated. The Pd(ii) complex showed excellent anticancer and antibacterial activity.
Corrosion inhibition studies of ferrocenyl Schiff bases in a mild acidic medium through experimental methods and DFT calculations
Authors: Nazir Uzma , Akhter Zareen , Ali Naveed Zafar , Hussain Rizwan , Liaqat Faroha , Tahir Alisha , Qamar Samina
Published: January 2022

The organometallic ferrocenyl Schiff bases were synthesized and tested as anticorrosive material on AA2219-T6 in acidic medium using Tafel polarization, EIS, weight loss analysis, FT-IR spectroscopy and theoretically proved by DFT.
Room temperature ferroelectric copper(ii) coordination polymers based on amino acid hydrazide ligands
Authors: Puškarić Andreas , Dunatov Marko , Jerić Ivanka , Sabljić Igor , Androš Dubraja Lidija
Published: January 2022

This work brings into focus the superior coordination properties and facile applicability of amino acid hydrazide ligands for the design of molecular magnets and molecular ferroelectrics.
Synthesis of photo-responsive indium selenides (InSe and In2Se3) from tris(4,6-dimethyl-2-pyrimidylselenolato)indium(iii) as a molecular precursor
Authors: Karmakar Gourab , Shah Alpa Y. , Tyagi Adish , Wadawale A. P. , Kedarnath G. , Kumar N. Naveen , Bahadur Jitendra
Published: January 2022

Facile and selective synthesis of phase pure photo-responsive InSe and In2Se3 nanostructures employing air-stable In[Sepym(Me-4,6)2]3 as a novel molecular precursor.
Hierarchical propagation of structural features in protein nanomaterials
Authors: Kamada Ayaka , Herneke Anja , Lopez-Sanchez Patricia , Harder Constantin , Ornithopoulou Eirini , Wu Qiong , Wei Xinfeng , Schwartzkopf Matthias , Müller-Buschbaum Peter , Roth Stephan V. , Hedenqvist Mikael S. , Langton Maud , Lendel Christofer
Published: January 2022

A hierarchical self-assembly process of proteins spanning six orders of magnitude in size is described. The distinct structural features can be turned on and off by controlling the length distribution of the protein nanofibrils.
Self-aligned stitching growth of centimeter-scale quasi-single-crystalline hexagonal boron nitride monolayers on liquid copper
Authors: Zhang Qing , Chen Huixin , Liu Suilin , Yu Yinyin , Wang Cuiru , Han Jian , Shao Guosheng , Yao Zhiqiang
Published: January 2022

Vapor transport confinement design is applied to diffusion-limited aggregation growth of hBN atomic crystals. Quasi-single-crystalline hBN monolayer films are produced by seamless stitching of self-aligned hBN domains on liquid Cu catalytic surface.
A light-induced hydrogel responsive platform to capture and selectively isolate single circulating tumor cells
Authors: Chen Bei , Wang Ganggang , Huang Chunyu , Sun Yue , Zhang Jing , Chai Zhuomin , Guo Shi-Shang , Zhao Xing-Zhong , Yuan Yufeng , Liu Wei
Published: January 2022

This work proposed a new method to selectively isolate single circulating tumor cells by combining a Gnp substrate with a photocurable hydrogel.
Combining nanotechnology with the multifunctional roles of neutrophils against cancer and inflammatory disease
Authors: Tang Lu , He Shun , Yin Yue , Li Jing , Xiao Qiaqia , Wang Ruotong , Gao Lijun , Wang Wei
Published: January 2022

This review highlights the recent achievements of combining nanomaterials with neutrophil-based delivery systems against cancer and inflammatory disease, and also emphasizes the key role of neutrophils in the progression of various diseases.
Synthetic approaches to 1,2,4-triazolo[5,1-c][1,2,4]triazin-7-ones as basic heterocyclic structures of the antiviral drug Riamilovir (“Triazavirin®”) active against SARS-CoV-2 (COVID-19)
Authors: Artem'ev Grigory A. , Rusinov Vladimir L. , Kopchuk Dmitry S. , Savchuk Maria I. , Santra Sougata , Ulomsky Eugeny N. , Zyryanov Grigory V. , Majee Adinath , Du Weijie , Charushin Valery N. , Chupakhin Оleg N.
Published: January 2022

In this review article, the currently available synthetic approaches to 1,2,4-triazolo[5,1-c][1,2,4]triazin-7-ones have been discussed. This moiety is considered as a basic heterocyclic structure of the antiviral drug Riamilovir (“Triazavirin®”).
Exceptionally fast formation of stable rigidified cross-bridged complexes formed with Cu(ii) isotopes for molecular imaging
Authors: Csupász Tibor , Lihi Norbert , Fekete Zsuzsa , Nagy Antónia , Botár Richárd , Forgács Viktória , Szikra Dezső , May Nóra Veronika , Tircsó Gyula , Kálmán Ferenc Krisztián
Published: January 2022

Cu(ii) complexes formed with cross-bridged pentaazamacrocycle ligands exhibit high stability and appropriate inertness, as well as fast complex formation auguring a bright future for this ligand family in radiotheranostic applications.
Platinum–P(BFPy)3-catalyzed regioselective diboration of terminal alkynes with (pin)B–B(aam)
Authors: Kageyuki Ikuo , Li Jialun , Yoshida Hiroto
Published: January 2022

An electron-deficient triarylphosphine-coordinated Pt-catalyzed diboration of terminal alkynes with (pin)B–B(aam) provides vic-diborylalkenes, whose difference in the boron-Lewis acidities allows chemoselective cross-coupling to proceed sequentially.
Ionic liquids as effective additives to enhance the solubility and permeation for puerarin and ferulic acid
Authors: Yuan Jing , Zhou Ningning , Wu Jieyu , Yin Tianxiang , Jia Yunbin
Published: January 2022

Cholinium-animo acid based ionic liquids displayed high efficiency in enhancing the solubility and permeation ability of active pharmaceutic ingredients.
Ag2Mo2O7: an oxide solid-state Ag+ electrolyte
Authors: Yan Weixin , Zhu Dongmei , Wang Zhaofeng , Xia Yunhao , Gui Dong-Yun , Luo Fa , Wang Chun-Hai
Published: January 2022

Ag2Mo2O7 is an oxide solid-state Ag+ electrolyte with the conductivity ∼5 × 10−4 S cm−1 at 450 °C and carrier activation energy 0.88(3) eV.
Magnetic graphene oxide–lignin nanobiocomposite: a novel, eco-friendly and stable nanostructure suitable for hyperthermia in cancer therapy
Authors: Eivazzadeh-Keihan Reza , Asgharnasl Somayeh , Moghim Aliabadi Hooman Aghamirza , Tahmasebi Behnam , Radinekiyan Fateme , Maleki Ali , Bahreinizad Hossein , Mahdavi Mohammad , Alavijeh Mohammadhossein Shahsavari , Saber Reza , Lanceros-Méndez Senentxu , Shalan Ahmed Esmail
Published: January 2022

A novel nanobiocomposite was designed and synthesized under mild conditions to evaluate its potential in hyperthermia therapy.
Flame retardance-donated lignocellulose nanofibers (LCNFs) by the Mannich reaction with (amino-1,3,5-triazinyl)phosphoramidates and their properties
Authors: Ono Fumiaki , Okihara Takumi , Osaka Noboru , Nagaoka Noriyuki , Kameoka Yuji , Ishikawa Akira , Ooki Hironari , Ito Takumi , Todome Daisuke , Uemoto Shinya , Furutani Mitsuaki , Inokuchi Tsutomu , Okada Kenji
Published: January 2022

LCNFs were grafted with nitrogen/phosphorus-containing melamines to achieve potent flame-retardance and converted to PP-composites of improved mechanical properties.
Automated multi-objective reaction optimisation: which algorithm should I use?
Authors: Müller Pia , Clayton Adam D. , Manson Jamie , Riley Samuel , May Oliver S. , Govan Norman , Notman Stuart , Ley Steven V. , Chamberlain Thomas W. , Bourne Richard A.
Published: January 2022

An open-source reaction simulator was designed to benchmark the performance of multi-objective optimisation algorithms using chemistry-inspired test problems, which was validated using an experimental self-optimisation platform.
Tumor suppressionviadiverting intracellular sialylation with multifunctional nanoparticles
Authors: Chen Yunlong , Yang Yuanjiao , Tan Qingqing , Liu Huipu , Ju Huangxian
Published: January 2022

Multifunctional nanoparticles are designed to divert intracellular sialylation, which can suppress tumor growth and be visualized.
Interrelation between swelling, mechanical constraints and reaction–diffusion processes in molecular responsive hydrogels
Authors: Jonášová Eleonóra Parelius , Stokke Bjørn Torger , Prot Victorien
Published: January 2022

We use a finite element approach to integrate the spatiotemporal impact of toehold mediated strands displacement of dsDNA crosslinks on swelling of DNA hybrid hydrogels.
Repetitive in situ recycling of degraded metal–organic frameworks within nanocapsules
Authors: Song Leilei , Chen Lihan , He Sanfeng , Zhang Kexin , Huang Ju , Chen Yuanke , Qin Xuedi , Zhang Songwei , Ma Yanhang , Lee Yongjin , Li Tao
Published: January 2022

The encapsulation of metal–organic framework particles in either polystyrene or silica nanocapsules allows an in situ degradation–reconstruction cycle to be performed up to 10 times while maintaining the sample morphology and sorption properties.
Understanding zinc-doped hydroxyapatite structures using first-principles calculations and convolutional neural network algorithm
Authors: Wang Jing , Wang Ruihan , Yang Mingli , Xu Dingguo
Published: January 2022

A new strategy based on combined first-principle and machine learning algorithm was proposed to identify the stable zinc-doped hydroxyapatite structures.
A metallosupramolecular polymer deposited via inkjet printing for fast-switching pixelated electrochromic devices
Authors: Xu Li-Juan , Li Bing , Gao Guo-Lin , Jiang Zaixing
Published: January 2022

We investigated the process of patterning an Fe(II)-MEPE film on an ITO-coated PET film using a commercially available inkjet printing device and developed an optimal ink formulation consisting of water/ethanol/ethylene glycol for inkjet printing.
Finite-difference time-domain to screen Au NPs as SERS active substrate for the sensitive determination of prohibited drugs in fish via solvent cleaning
Authors: Du Shenxuan , Yu Borong , Han Fangwei , Mao Yue , Zhang Huijiao , Li Jiangli
Published: January 2022

Surface enhanced Raman spectroscopy (SERS), as a molecule-specific method using plasmonic nanostructures to significantly enhance signal intensity, has been employed in various fields.
Two-dimensional Zr/Hf-hydroxamate metal–organic frameworks
Authors: Lai Qiuxue , Chu Zhao-Qin , Xiao Xinyi , Dai Dejun , Song Ting , Luo Tian-Yi , Tang Wenlei , Feng Xuan , Zhang Zhiyuan , Li Tao , Xiao Hai , Su Jing , Liu Chong
Published: January 2022

Novel two-dimensional Zr/Hf-hydroxamate MOFs, featuring chelated mononuclear nodes, were synthesized and exhibited great chemical stability and morphological tunability.
The Effect of Microphone Frequency Response on Spectral and Cepstral Measures of Voice: An Examination of Low-Cost Electret Headset Microphones
Authors: Awan Shaheen N. , Shaikh Mohsin A. , Desjardins Maude , Feinstein Hagar , Abbott Katherine Verdolini
Published: January 2022

Purpose:

The purpose of this study was to establish the frequency response of a selection of low-cost headset microphones that could be given to subjects for remote voice recordings and to examine the effect of microphone type and frequency response on key acoustic measures related to voice quality obtained from speech and vowel samples.

Method:

The frequency responses of three low-cost headset microphones were evaluated using pink noise generated via a head-and-torso model. Each of the headset microphones was then used to record a series of speech and vowel samples prerecorded from 24 speakers who represented a diversity of sex, age, fundamental frequency (
F
o
), and voice quality types. Recordings were later analyzed for the following measures: smoothed cepstral peak prominence (CPP; dB), low versus high spectral ratio (L/H ratio; dB), CPP
F
o
(Hz), and cepstral spectral index of dysphonia (CSID).

Results:

The frequency response of the microphones under test was observed to have nonsignificant effects on measures of the CPP and CPP
F
o
, significant effects on the CSID in speech contexts, and strong and significant effects on the measure of spectral tilt (L/H ratio). However, the correlations between the various headset microphones and a reference precision microphone were excellent (
r
s > .90).

Conclusions:

The headset microphones under test all showed the capability to track a wide range of diversity in the voice signal. Though the use of higher quality microphones that have demonstrated specifications is recommended for typical research and clinical purposes, low-cost electret microphones may be used to provide valid measures of voice, specifically when the same microphone and signal chain is used for the evaluation of pre- versus posttreatment change or intergroup comparisons.
A novel method for estimating utility harmonic impedance based probabilistic evaluation
Authors: Xiao Xianyong , Zhou Runze , Ma Xiaoyang , Xu Rui
Published: January 2022

Here, a novel method for estimating utility harmonic impedance (UHI) based on probabilistic evaluation is proposed. By analysing harmonic data, it is determined that UHI tends to obey a particular distribution, that varies with the amplitude of the background harmonics. Therefore, calculating the probability distribution of the UHI is considered to estimate its value. The UHI can be estimated by calculating the conditional probability density function of the background harmonics and prior distribution of UHI. The estimation results are not affected by the correlation of harmonic impedances between the two sides of the point of common coupling. The validity and accuracy of the proposed method were further verified through simulations and the analysis of field testing data.
Observational evidence of evolving dark matter profiles atz ≤ 1
Authors: Sharma Gauri , Salucci Paolo , van de Ven Glenn
Published: January 2022

Context.In the concordance cosmological scenario, the cold collisionless dark matter component dominates the mass budget of galaxies and interacts with baryons only via gravity. However, there is growing evidence that the former, instead, responds to the baryonic (feedback) processes by modifying its density distribution. These processes can be captured by comparing the inner dynamics of galaxies across cosmic time.

Aims.We present a pilot study of dynamical mass modeling of high redshift galaxy rotation curves, which is capable of constraining the structure of dark matter halos across cosmic time.

Methods.We investigate the dark matter halos of 256 star-forming disk-like galaxies atz ∼ 1 using the KMOS Redshift One Spectroscopic Survey. This sample covers the redshifts 0.6 ≤ z ≤ 1.04, effective radii 0.69 ≤ Re[kpc] ≤ 7.76, and total stellar masses 8.7 ≤ log(Mstar[M⊙]) ≤ 11.32. We present a mass modeling approach to study the rotation curves of these galaxies, which allow us to dynamically calculate the physical properties associated with the baryons and the dark matter halo. For the former we assume a Freeman disk, while for the latter we employ the NFW (cusp) and the Burkert (cored) halo profiles, separately. At the end, we compare the results of both cases with state-of-the-art galaxy simulations (EAGLE, TNG100, and TNG50).

Results.We find that the “cored” dark matter halo emerged as the dominant quantity from a radius 1–3 times the effective radius. Its fraction to the total mass is in good agreement with the outcome of hydrodynamical galaxy simulations. Remarkably, we found that the dark matter core ofz ∼ 1 star-forming galaxies are smaller and denser than their local counterparts.

Conclusions.Dark matter halos have gradually expanded over the past 6.5 Gyrs. That is, observations are capable of capturing the dark matter response to the baryonic processes, thus giving us the first piece of empirical evidence of “gravitational potential fluctuations” in the inner region of galaxies that can be verified with deep surveys and future missions.
The X-shooter Spectral Library (XSL): Data Release 3
Authors: Verro K. , Trager S. C. , Peletier R. F. , Lançon A. , Gonneau A. , Vazdekis A. , Prugniel P. , Chen Y.-P. , Coelho P. R. T. , Sánchez-Blázquez P. , Martins L. , Arentsen A. , Lyubenova M. , Falcón-Barroso J. , Dries M.
Published: January 2022

We present the third data release (DR3) of the X-shooter Spectral Library (XSL). This moderate-to-high resolution, near-ultraviolet-to-near-infrared (350–2480 nm,R ∼ 10 000) spectral library is composed of 830 stellar spectra of 683 stars. DR3 improves upon the previous data release by providing the combined de-reddened spectra of the three X-shooter segments over the full 350–2480 nm wavelength range. It also includes additional 20 M-dwarf spectra from the ESO archive. We provide detailed comparisons between this library andGaiaEDR3, MILES, NGSL, CaT library, and (E-)IRTF. The normalised rms deviation is better thanD = 0.05 or 5% for the majority of spectra in common between MILES (144 spectra of 180), NGSL (112/116), and (E-)IRTF (55/77) libraries. Comparing synthetic colours of those spectra reveals only negligible offsets and small rms scatter, such as the median offset(rms) 0.001 ± 0.040 mag in the (box1 − box2) colour of the UVB arm, −0.004 ± 0.028 mag in (box3 − box4) of the VIS arm, and −0.001 ± 0.045 mag in (box2 − box3) colour between the UVB and VIS arms, when comparing stars in common with MILES. We also find an excellent agreement between theGaiapublished (BP − RP) colours and those measured from the XSL DR3 spectra, with a zero median offset and an rms scatter of 0.037 mag for 449 non-variable stars. The unmatched characteristics of this library, which combine a relatively high resolution, a large number of stars, and an extended wavelength coverage, will help us to bridge the gap between the optical and the near-IR studies of intermediate and old stellar populations, and to probe low-mass stellar systems.
A model for spin–orbit commensurability and synchronous starspot activity in stars with close-by planets
Authors: Lanza A. F.
Published: January 2022

Context. The rotation period of some planet-hosting stars appears to be in close commensurability with the orbital period of their close-by planets. In some cases, starspots rotating with a commensurable period have been detected, while the star displays latitudinal differential rotation.

Aims. A model is proposed to interpret such a phenomenon based on the excitation of resonant oscillations in the interior magnetic field of the star by a component of the tidal potential with a very low frequency in the reference frame rotating with the star.

Methods. A magnetic flux tube located in the overshoot layer of the star is assumed in order to study the excitation of the resonant oscillations in the magnetostrophic regime. The model considers a planet on a circular oblique orbit, and the growth timescale of the oscillations is estimated. To keep the system in resonance with the exciting potential despite the variations in the magnetic field or tidal frequency, a self-regulating mechanism is proposed.

Results. The model is applied to ten systems and proves capable of accounting for the observed close commensurability in eight of them by assuming a magnetic field between 102 and 104 G. Systems with distant low-mass planets, such as AU Mic and HAT-P-11, cannot be interpreted by the proposed model.

Conclusions. Consequences for the spin–orbit evolution of the systems, including the dynamical tides and gyrochronology of planet-hosting stars, are discussed together with the effects on the chromospheric features produced by star–planet magnetic interactions.
Understanding the interior structure of gaseous giant exoplanets with machine learning techniques
Authors: Zhao Yong , Ni Dongdong
Published: January 2022

Context. Characterizing the interiors of gaseous giant exoplanets is currently one of the main objectives in exoplanetary sciences. In particular, the planetary heavy-element mass provides a critical constraint on planet formation from exoplanetary systems. However, gas giant exoplanets show large diversities in thermal states and their interior properties vary across a wide magnitude range. Forward modeling of their interiors exhibits a larger degeneracy with respect to rocky exoplanets.

Aims. We applied machine learning techniques based on mixture density networks (MDNs) to investigate the interiors of gaseous giant exoplanets. We aim to provide a well-trained MDN for quick and efficient predictions.

Methods. Based on our current knowledge of gas giants in the Solar System, we discussed an effect of model uncertainties on planetary interiors and presented a data set for gas giants with masses between 0.1 and 10 Jupiter masses using two-layer interior models. Then, MDNs were constructed to train the generated data set and their performance was evaluated in order to achieve a well-trained one.

Results. The MDN using planetary mass and radius as inputs exhibits the well-known degeneracy of interior models. The surface temperature of a planet bears constraints on the thermal state of planetary interiors, and adding it as additional input considerably breaks the degeneracy of possible interior structures. The MDN with inputs of mass, radius, and surface temperature is found to show excellent performance in predicting the interior properties of gaseous giant exoplanets, although these interior properties span over a very wide range. We also applied the well-trained MDN to four gas giants in the Solar System and beyond. The MDN predictions are in good agreement with the interior model solutions within the observational and systematic uncertainties.

Conclusions. We offer a convenient and powerful tool available online providing knowledge of the interiors of gaseous giant exoplanets in addition to rocky exoplanets, which could be helpful for our understanding of planet formation in diverse protoplanetary environments.
Peculiar hydrogen-deficient carbon stars: strontium-rich stars and the s-process
Authors: Crawford Courtney L. , Tisserand Patrick , Clayton Geoffrey C. , Munson Bradley
Published: January 2022

Context. R Coronae Borealis (RCB) variables and their non-variable counterparts, the dustless Hydrogen-deficient Carbon (dLHdC) stars have been known to exhibit enhanced s-processed material on their surfaces, especially Sr, Y, and Ba. No comprehensive work has been done to explore the s-process in these types of stars, however one particular RCB star, U Aqr, has been under scrutiny for its extraordinary Sr enhancement.

Aims. We aim to identify RCB and dLHdC stars that have significantly enhanced Sr abundances, such as U Aqr, and use stellar evolution models to begin to estimate the type of neutron exposure that occurs in a typical HdC star.

Methods. We compared the strength of the Sr II 4077 Å spectral line to Ca II H to identify the new subclass of Sr-rich HdCs. We additionally used the structural and abundance information from existing RCB MESA models to calculate the neutron exposure parameter, τ.

Results. We identified six stars in the Sr-rich class. Two are RCBs, and four are dLHdCs. We additionally found that the preferred RCB MESA model has a neutron exposure τ ≃ 0.1 mb−1, which is lower than the estimated τ between 0.15 and 0.6 mb−1 for the Sr-rich star U Aqr found in the literature. We found trends in the neutron exposure corresponding to He-burning shell temperature, metallicity, and assumed s-processing site.

Conclusions. We have found a sub-class of six HdCs known as the Sr-rich class, which tend to lie in the halo, outside the typical distribution of RCBs and dLHdCs. We found that dLHdC stars are more likely to be Sr-rich than RCBs, with an occurrence rate of ~13% for dLHdCs and ~2% for RCBs. This is one of the first potential spectroscopic differences between RCBs and dLHdCs, along with dLHdCs having stronger surface abundances of 18O. We additionally found neutron exposure trends in our RCB models that will aide in understanding the interplay between model parameters and surface s-process elements.
Material performance characterization of carbon nanotubes and BYK 8003 organic compounds reinforced GFRP composites
Authors: Ilgaz Aykut
Published: January 2022

This study presents mechanical and electrical characterization of glass fiber reinforced polymer (GFRP) filled with low specific single-walled carbon nanotubes (SWCNTs) and BYK 8003 organic compounds. For this aim, DC conductivities of materials were calculated using high speed I–V measurements. The dielectric characteristics including dielectric constant, volume resistivity, loss tangent and dielectric loss factor were examined depending on frequency ranging from 50 Hz to 100 kHz. Also, tensile and flexural tests were fixed to investigate the effect of filling process on the mechanical behavior of GRFP. The surface morphology of the composite materials was analyzed with SEM and AFM measurements.
Effect of evolution for dispersed phase on thermoelectric performance of Yb0.2(CoSb2.875Te0.125)4
Authors: Xin Xu-Ye , Hu Lu-Heng , Lv Zi-Han , Liu Hong-Quan , Zhang Chun-Zhi , He Qing-Kun , Zhang Tong
Published: January 2022

CoSb3-based skutterudites, as a medium-temperature thermoelectric material, show excellent thermoelectric performance, but high thermal conductivity suppresses the high ZT value. Here, x% SnTe/Yb0.2(CoSb2.875Te0.125)4 samples were synthesized through vacuum melting reaction and spark plasma sintering (SPS). With increasing of SnTe content, the dispersed phase CoSb2, SnTe and CoTe2 appear successively via a selection of nucleation kinetics for 1%, 3% and 5% SnTe composited sample. Due to scattering of the dispersed phase and the solid solution distortion, lattice conductivity (κlat) of the 3% SnTe/Yb0.2(CoSb2.875Te0.125)4 sample decreases from 1.55 W m−1 K−1 to 1.19 W m−1 K−1 compared with the Yb0.2(CoSb2.875Te0.125)4 sample, which reduces by ∼22.8% at 773 K. The maximum thermoelectric merit ZT of the 3% SnTe/Yb0.2(CoSb2.875Te0.125)4 sample achieves 1.18 at 773 K.
Bright sources under the projection microscope: using an insulating crystal on a conductor as electron source
Authors: Lapena Laurent , Bedrane Djouher , Degiovanni Alain , Salançon Evelyne
Published: January 2022

The development of bright sources is allowing technological breakthroughs, especially in the field of microscopy. This requires a very advanced control and understanding of the emission mechanisms. For bright electron sources, a projection microscope with a field emission tip provides an interference image that corresponds to a holographic recording. Image reconstruction can be performed digitally to form a “real” image of the object. However, interference images can only be obtained with a bright source that is small: often, an ultra-thin tip of tungsten whose radius of curvature is of the order of 10nm. The contrast and ultimate resolution of this image-projecting microscope depend only on the size of the apparent source. Thus, a projection microscope can be used to characterize source brightness: for example, analyzing the interference contrast enables the size of the source to be estimated. Ultra-thin W tips are not the only way to obtain bright sources: field emission can also be achieved by applying voltages leading to a weak macroscopic electric field (< 1V∕μm) to insulating micron crystals deposited on conductors with a large radius of curvature (> 10 μm). Moreover, analyzing the holograms reveals the source size, and the brightness of these new emitters equals that of traditional field emission sources.
Partial differential equations on hypergraphs and networks of surfaces: Derivation and hybrid discretizations
Authors: Rupp Andreas , Gahn Markus , Kanschat Guido
Published: January 2022

We introduce a general, analytical framework to express and to approximate partial differential equations (PDEs) numerically on graphs and networks of surfaces – generalized by the term hypergraphs. To this end, we consider PDEs on hypergraphs as singular limits of PDEs in networks of thin domains (such as fault planes, pipes, etc.), and we observe that (mixed) hybrid formulations offer useful tools to formulate such PDEs. Thus, our numerical framework is based on hybrid finite element methods (in particular, the class of hybrid discontinuous Galerkin methods).
Towards sustainable re-construction systems: from waste ruins to eco-efficient buildings
Authors: Del Castillo Llamosas Alexandra , Faraji Abdolmaleki Shoeib , Bello Bugallo Pastora M.
Published: January 2022

Building reconstruction projects are mainly motivated by social factors, without a deep evaluation of the Best Available Techniques. The main aim of this work is to analyze the advantages of defining sustainable retrofitted buildings, previously building the edifice, by using methodologies towards sustainable systems. A real re-constructed building is considered as a case study. Three scenarios are investigated to analyze its sustainability, including the waste ruins of the old building (Scenario 1), the current re-constructed building (Scenario 2), and a hypothetical sustainable retrofitted building (Scenario 3). Firstly, the current energy consumption is studied including heating flow through walls (thermal bridges and condensation risk) as well as operational costs. Secondly, a new scenario is proposed adding passive solutions to this existing building, to improve its energy efficiency; also, energy consumption and costs of the refurbishment are analyzed. Results show that Scenario 1 leads to a bad image of a city involving the environment and social fields. Scenario 2 entails expensive operational costs. On the other hand, Scenario 3 results in approximately 90% of cost savings in heating energy demand, which would be traduced on high economic savings. Taken into account not only economic factors but environmental and social ones, it can be concluded that it is more sustainable and profitable constructing an efficient building from the beginning by using waste ruins and simulation software despite refurbishing a re-built edifice.
Riesiges retroperitoneales Schwannom im Bereich der linken Nebenniere
Authors: Kajaia David , Hager Benjamin , Weingärtner Karl , Kliebisch Stefan , Seitz Gerhard , Schneider Hans , Zugor Vahudin
Published: January 2022

Das benigne Schwannom und das Neurofibrom sind die am häufigsten auftretenden benignen peripheren Nervenscheidentumoren. Der vorliegende Fallbericht über einen 66-jährigen Patienten mit einer über 12 cm großen retroperitonealen Raumforderung zeigt eindrucksvoll, was nach 20 Jahren Entwicklung und Fortschritt der robotischen Chirurgie mittlerweile möglich ist. Die Raumforderung, welche im Retroperitoneum lag und die umliegenden Organe verdrängte, wurde als Zufallsbefund entdeckt und stellt sich letztendlich histologisch als Schwannom dar. Die operative Entfernung war minimalinvasiv mittels des DaVinci-Operationssystems unter entsprechender Expertise der Klinik für Urologie erfolgt.
Gesundheitliche Folgen politischer Haft in der Sowjetischen
Besatzungszone und der Deutschen Demokratischen Republik
Authors: Maslahati Tolou , Voß Aline Lea , Donth Stefan , Heuser-Collier Isabella , Roepke Stefan
Published: January 2022

In der sowjetischen Besatzungszone (SBZ) und der Deutschen Demokratischen
Republik (DDR) wurden schätzungsweise zwischen 180 000 und
300 000 Personen aus politischen Gründen inhaftiert. Das Erleben
von traumatischem Stress, wie politischer Haft, kann zu langandauernden
gesundheitlichen Folgeerkrankungen führen. Zudem weisen
Forschungsergebnisse zu den Folgen politischer Gewalt in anderen Kontexten auch
auf transgenerationale Auswirkungen hin. Dieser Artikel gibt eine
Übersicht der Forschung zu körperlichen und psychischen Folgen
der politischen Haft in der SBZ und der DDR geben und die Relevanz der
gegenwärtig an der Charité – Universitätsmedizin
Berlin durchgeführten Studie zu diesem Thema verdeutlichen. Bisherige
Forschungsergebnisse deuten darauf hin, dass erhöhte Prävalenzen
für psychische und körperliche Symptome und Erkrankungen bei
ehemaligen politischen Häftlingen und deren Kinder vorliegen.
Zusätzlich wird der große Bedarf für eine systematische
Erfassung der möglichen Erkrankungen der Betroffenen und deren
Nachkommen deutlich.
Kleinzelliges neuroendokrines Karzinom des Kopf-Hals-Bereichs: eine Übersichtsarbeit und Fallserie
Authors: Böhm Felix , Schuler Patrick J. , Döscher Johannes , Weissinger Stephanie E. , Benckendorff Julian , Greve Jens , Hoffmann Thomas K. , Theodoraki Marie-Nicole
Published: January 2022

Einleitung Kleinzellige neuroendokrine Karzinome (KNK) des Larynx sind eine seltene Tumorentität mit schlechter Prognose bei einer 5-Jahres-Überlebensrate nach Standardtherapie mit primärer Radiochemotherapie (pRCT) von 5 %.

Methoden Es erfolgte eine systematische Literaturrecherche auf PubMed mit den Suchbegriffen „small cell neuroendocrine carcinoma“ und „head and neck“ sowie die Aufarbeitung von Patientenfällen aus unserer Klinik.

Ergebnisse Die Recherche ergab keine großen randomisierten kontrollierten Studien zur Standardtherapie. Bisherige Therapiestrategien basieren auf den Erfahrungen bei kleinzelligen Karzinomen der Lunge. 0,5 % aller KNK treten im Kopf-Hals-Bereich auf. In unserer Klinik wurden in 12 Jahren 9 KNK diagnostiziert, 2 davon mit laryngealer Manifestation. Wir berichten über einen 29-jährigen Patienten mit Erstdiagnose (ED) eines Larynx-KNK im Frühjahr 2018. Im Staging zeigten sich zervikale Lymphknotenmetastasen, eine Fernmetastasierung wurde ausgeschlossen. Es erfolgte eine pRCT mit Cisplatin/Etoposid mit darauffolgender Komplettremission. Im Re-Staging 6 Monate nach ED zeigten sich Metastasen-suspekte Lungenherde. Unter 6 Zyklen palliativer Systemtherapie mit Cyclophosphamid, Adriamycin und Vincristin kam es zu einer partiellen Remission. Nach 12 Monaten erfolgte bei Progress die Therapieumstellung auf den PD-1-Antikörper Nivolumab. Der Patient verstarb 22 Monate nach ED an einer tumorbedingten Massenblutung mit Verlegung der Atemwege.

Schlussfolgerung Bisher existieren keine Studienergebnisse über den Einsatz von Nivolumab als Third-Line-Therapie bei KNK. Die Analyse einer NTRK-Fusion (neurotrophe Tyrosin-Rezeptor-Kinase) oder einer Folatrezeptor-Expression sollte erwogen werden zur Evaluation einer Tropomyosin-Rezeptor-Kinase-Inhibitor- oder einer Radionuklidtherapie.
More Than Detection of Adenocarcinoma – Indications and Findings in Prostate MRI in Benign Prostatic Disorders
Authors: Oerther Benedict , Sigle August , Franiel Tobias , Teichgräber Ulf , Bamberg Fabian , Gratzke Christian , Benndorf Matthias
Published: January 2022

Background Multiparametric MRI of the prostate has become a fundamental tool in the diagnostic pathway for prostate cancer and is recommended before (or after negative) biopsy to guide biopsy and increase accuracy, as a staging examination (high-risk setting), and prior to inclusion into active surveillance. Despite this main field of application, prostate MRI can be utilized to obtain information in a variety of benign disorders of the prostate.

Methods Systematic bibliographical research with extraction of studies, national (German) as well as international guidelines (EAU, AUA), and consensus reports on MRI of benign disorders of the prostate was performed. Indications and imaging findings of prostate MRI were identified for a) imaging the enlarged prostate, b) prostate MRI in prostatic artery embolization, c) imaging in prostatitis and d) imaging in congenital anomalies.

Results and Conclusions Different phenotypes of the enlarged prostate that partly correlate with severity of symptoms are discussed. We provide an overview of the different types of prostatitis and possible imaging findings, highlighting abscesses as a severe complication. The most common congenital anomalies of the prostate are utricular cysts, whereas anomalies like aplasia, hypoplasia, and ectopia are rare disorders. Knowledge of indications for imaging and imaging appearance of these conditions may improve patient care and enhance differential diagnosis.

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Citation Format
Gesunde erhöhen unter Fischgeruch die Herzfrequenz nur schwach und nur einen Variabilitätsparameter
Authors: Gudziol Hilmar , Pohlmeier Constanze , Guntinas-Lichius Orlando , Bitter Thomas
Published: January 2022

Einleitung Kardiale Riechreizfolgereaktionen könnten die Palette objektivierender Testmethoden zur Überprüfung des Riechvermögens erweitern. In einer Pilotstudie wurde untersucht, ob und wie durch angenehme und unangenehme Gerüche die Herzfrequenz (HR) und deren Variabilität verändert werden.

Methodik 32 Gesunde mit normalem Riechvermögen atmeten nasal 7 Minuten den Duft von 4 Sniffin’ Sticks (Banane, Fisch, Knoblauch und Rose) im Wechsel mit Leer-Reizen ein. Gleichzeitig wurden das EKG registriert und offline die NN-Intervalle (Abstand der R-Zacken) und 6 Parameter der Herzfrequenzvariabilität bestimmt und mit den Werten einer Leer-Reizung mittels generalisierter Schätzgleichungen (GEE) verglichen. Zusätzlich wurden die Werte der subjektiven Einschätzung von Intensität und hedonischer Valenz der 4 Gerüche mit der Herzfrequenz korreliert.

Ergebnisse Der unangenehme Fischgeruch steigerte in der ersten Reizminute gering, aber signifikant die Herzfrequenz (HR). Außerdem vergrößerte er während des Dauerreizes lediglich einen Variabilitätsparameter (LF/HF) und zeigte in der ersten Reizminute eine signifikante moderate Korrelation zwischen der HR und der Skalierung von Intensität bzw. der Hedonik. Die angenehmen Gerüche und der Knoblauchgeruch hatten keinen Einfluss auf die analysierten kardialen Parameter.

Schlussfolgerungen Olfaktorisch ausgelöste HR-kardiale Riechreizfolgereaktionen sind es wert, als Indikator für die Intaktheit des Riechvermögens weiter untersucht zu werden. Am erfolgversprechendsten und zeit- und kostengünstigsten ist dabei wahrscheinlich eine 1-minütige Reizung mit dem unangenehmen Fischgeruch aus dem Identifikationsset der Sniffin’ Sticks bei gleichzeitiger EKG-Ableitung.
Dehydrative and Decarboxylative Coupling of Alkynoic Acids with Allylic Alcohols
Authors: Xie Peizhong , Qiu Ju , Hou Jingwei , Sun Zuolian
Published: January 2022

A direct dehydroxylative and decarboxylative coupling between a large number of allylic alcohols and alkynoic acids was realized affording 1,4-enyne motifs in high efficiency. In this reaction, calcium-promoted C–OH bond cleavage was crucial, which facilitated the sequential ­decarboxylation, and thus enabled the palladium-catalyzed allyl­–alkynyl coupling, which occurred in an environmentally benign manner tolerating a wide variety of functional groups. This protocol has been successfully used in preparing anticancer active rooperol derivatives in gram scale.
Oxidant-Free Selective Synthesis of Functionalized Chroman-4-ones from ortho-Hydroxyacetophenones under HOAc/DMSO Conditions
Authors: Wang Anan , Feng Yuanyuan , Jiang Tao-Shan , Li Shuai , Shi Xu
Published: January 2022

A metal-free and oxidant-free acid-promoted DMSO activation and subsequent reaction is reported. In this protocol, two molecules of DMSO are activated by HOAc and serve as dual synthons which react with ortho-hydroxyacetophenones, affording 3-(methylthiomethyl)chroman-4-ones in moderate to good yields with high selectivity.
Lumbar Cryptorchidism with Splenogonadal Fusion: The Odd Couple
Authors: Kulkarni Amol Anil , Kanbur Ajay S. , Kamat Nikhil V. , Sinha Lokesh D. , Khadse Prashant , Mehta Riya Prakash
Published: January 2022

We present and discuss the clinical, radiological, surgical, and histopathologic findings in a 16-month-old child who presented with bilateral cryptorchidism. He was investigated radiologically with ultrasonography and magnetic resonance imaging, diagnosed with small right inguinal and an enlarged left abdominal testis, and he underwent left orchidectomy and histopathology confirmed the diagnosis of splenogonadal fusion.
Translational vibrations in α-N2 from x-ray data
Authors: Alekseeva L. A. , Syrkin E. S. , Hurova D. E. , Aksenova N. A. , Galtsov N. N. , Feodosyev S. B.
Published: January 2022

Using the x-ray diffraction method, the mean square displacement of solid nitrogen molecules from its lattice point in α phase was determined. The temperature dependences of the amplitude of translational vibrations of nitrogen molecules are obtained in the isotropic approximation. Our experimental values were compared with the theoretical data and a qualitative difference was found. This discrepancy can be explained by the fact that the geometry of the molecule is not considered in theoretical models.
Resistive switching effect in the n-InGaAs/GaAs heterostructures with double tunnel-coupled quantum wells
Authors: Belevskii P. A. , Vinoslavskii M. N. , Vainberg V. V. , Pylypchuk O. S. , Poroshin V. N.
Published: January 2022

The electric conductivity behavior in the single and double tunnel-coupled quantum wells (QW) with different doping profile caused by the impact of short pulses of the strong longitudinal (in the quantum wells plane) electric field has been investigated. It is established that at low temperatures (4 K) after such an impact the long-term metastable state with increased electric conductance may be observed in the case of the asymmetric QW couple with the impurity delta shaped-layer in the narrower QW. It is not observed in the structures with other configurations. The observed effect is explained by the model accounting for metastable changes in the electron energy states spectrum in the studied structures caused by the strong electric field pulses.
Impact of Si doping on dislocation behavior in MOVPE-grown AlN on high-temperature annealed AlN buffer layers
Authors: Mogilatenko A. , Walde S. , Hagedorn S. , Netzel C. , Huang C.-Y. , Weyers M.
Published: January 2022

In this work, we compare the defect structure in unintentionally doped and Si-doped AlN layers grown by metalorganic vapor phase epitaxy (MOVPE) on high-temperature annealed (HTA) sputtered AlN templates on sapphire substrates. Since the HTA process leads to a reduction of the in-plane lattice constant of the AlN layers, further homoepitaxial overgrowth results in compressively strained AlN layers. With increasing MOVPE-AlN layer thickness, strain relaxation takes place mostly by formation of dislocation half-loops of an irregular shape, which accumulate at the homoepitaxial MOVPE-AlN/HTA-AlN interface. We suggest that these dislocations nucleate at the layer surface and move down to the homoepitaxial interface at high temperatures. The formation of these irregular and hardly controllable defects can be avoided by introduction of Si-doping into the MOVPE-AlN layers. Si-doping enlarges the inclination of threading dislocation lines stemming from the HTA-AlN template, producing an alternative mechanism for strain relaxation.