bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermoplastic zwitterionic elastomer with critical antifouling properties
Authors: Wang Kun , Arado Theo , Huner Ardith , Seol Hyang , Liu Xuan , Wang Huifeng , Hassan Lena , Suresh Karthika , Kim Sangil , Cheng Gang
Published: April 2022

The thermoplastic PCB-PTHFU platform, with its unmatched antifouling properties and high elasticity, has potential for implanted medical devices and a broad spectrum of applications that suffer from biofouling, such as material-associated infection.
Molecular polymer bottlebrushes in nanomedicine: therapeutic and diagnostic applications
Authors: Müllner Markus
Published: April 2022

Molecular polymer bottlebrushes offer a comprehensive toolbox for nanomaterials design. Their tuneable and multifunctional architecture has accelerated their use in nano-bio research and nanomedicine applications.
Terahertz spectroscopy of the helium endofullerene He@C60
Authors: Jafari Tanzeeha , Razvan Bacanu George , Shugai Anna , Nagel Urmas , Walkey Mark , Hoffman Gabriela , Levitt Malcolm H. , Whitby Richard J. , Rõõm Toomas
Published: April 2022

The confinement potential of the He atom encapsulated by the C60 molecular cage is obtained from the terahertz spectra.
The dynamics of chemically propelled dimer motors on a pinning substrate
Authors: Huang He-Ting , Cui Ru-Fei , Kou Jian-Long , Wen Zheng-Cheng , Chen Jiang-Xing
Published: April 2022

The dynamics of self-propelled micro-motors in a thin fluid film containing an attractive substrate is investigated by means of a particle-based simulation.
Wavelength dependent photoionisation of ethanol clusters: generation of hydrogen like C5+ ions at terawatt laser intensity
Authors: Das Soumitra , Sharma Pramod
Published: April 2022

Photoionisation of ethanol clusters has been investigated at different laser wavelengths over the intensity range of ∼1012–1013 W cm−2.
Calculated linear and nonlinear optical absorption spectra of phosphine-ligated gold clusters
Authors: Day Paul N. , Pachter Ruth , Nguyen Kiet A.
Published: April 2022

Absorption spectra of phosphine-ligated clusters of eight and nine gold atoms were evaluated using TDDFT and GW-BSE. Calculations predict that the ligand choice can be used to tune the two-photon absorption (TPA).
Structure–activity correlation in aerobic cyclohexene oxidation and peroxide decomposition over CoxFe3−xO4 spinel oxides
Authors: Büker Julia , Angel Steven , Salamon Soma , Landers Joachim , Falk Tobias , Wende Heiko , Wiggers Hartmut , Schulz Christof , Muhler Martin , Peng Baoxiang
Published: April 2022

Aerobic cyclohexene oxidation and peroxide decomposition in the liquid phase were performed over a series of CoxFe3−xO4 spinel catalysts exhibiting a volcano plot for the catalytic activity with a maximum at x = 1.
A simple preparation method of in situ oxidized titanium carbide MXene for photocatalytic degradation of catechol
Authors: Wu Zhifang , Fu Wencai , Xu Huixia , Zheng Rui , Han Fangjie , Liang Zhishan , Han Dongfang , Han Dongxue , Li Fenghua , Niu Li
Published: April 2022

We report a simple preparation method of in situ oxidized titanium carbide MXene for photocatalytic degradation of catechol.
Experimental and theoretical study of the mechanism and rate constants of the sequential 5-exo-trig spirocyclization involving vinyl, aryl and N-alkoxyaminyl radicals
Authors: Bejarano Carlos A. , Díaz John E. , Cifuentes-López Andrés , López Lina V. , Jaramillo-Gómez Luz M. , Buendia-Atencio Cristian , Lorett Velásquez Vaneza Paola , Mejía Sol M. , Loaiza Alix E.
Published: April 2022

The mechanism and kinetic constants of the cascade cyclization involving vinyl, aryl and N-alkoxyaminyl radicals for the formation of 1-azaspiro[4.4]nonanes.
A fluorescent, chirality-responsive, and water-soluble cage as a multifunctional molecular container for drug delivery
Authors: Duan Yanjuan , Wang Jingjing , Cheng Lin , Duan Honghong , Tian Ping , Zhang Yanmin , Cao Liping
Published: April 2022

A fluorescent, chirality-responsive, and water-soluble tetraphenylethene-based cage as a fluorescent/chiral probe, solubilizer, and molecular cargo was used for the construction of a drug delivery system.
Total synthesis of (±)-mersicarpine following a 6-exo-trig radical cyclization
Authors: Peng Wan-Ling , Jhang Yin-Jia , Chang Chieh-Yu , Peng Po-Kai , Zhao Wei-Ting , Wu Yen-Ku
Published: April 2022

A concise total synthesis of racemic mersicarpine is achieved featuring an application of a 6-exo-trig radical cyclization of a 2-indolyl radical.
Correction: Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp3)–O cross-coupling
Authors: Mandal Rahul Dev , Saha Moumita , Das Asish R.
Published: April 2022

Correction for ‘Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp3)–O cross-coupling’ by Rahul Dev Mandal et al., Org. Biomol. Chem., 2022, 20, 2939–2963, https://doi.org/10.1039/D2OB00381C.
Cooperative palladium-catalyzed P(NEt2)3-mediated (4 + 1) annulation of isatins with 2 hydroxymethylallylcarbonates
Authors: Zhang Zhipeng , Li Jing  , Li Er-Qing , Duan Zheng
Published: April 2022

Cooperative palladium-catalyzed and P(NEt2)3-mediated (4 + 1) annulations are developed, leading to a big library of spirooxindole derivatives in high structural diversity.
A photoresponsive antibody–siRNA conjugate for activatable immunogene therapy of cancer
Authors: Wang Xingxing , Xiao Xiao , Feng Yi , Li Jinbo , Zhang Yan
Published: April 2022

A photoresponsive antibody–siRNA conjugate (PARC) enables tumor-targeted siRNA delivery and photoactivatable gene silencing for cancer immunotherapy.
Dual crosslinking hydrogels with tunable injectability and stability for bone repair
Authors: Chu Wenlin , Ke Xiang , Dong Zhiyun , Xie Jing , Luo Jun , Li Jianshu
Published: April 2022

A triblock polypeptide is synthesized and dual crosslinking PTA hydrogels are constructed. The hydrogels exhibit good shear-thinning and self-healing properties, as well as exhibit better stability due to increased crosslinking density.
Investigation of the mechanisms of plasmon-mediated photocatalysis: synergistic contribution of near-field and charge transfer effects
Authors: Fusco Zelio , Catchpole Kylie , Beck Fiona J.
Published: April 2022

We demonstrate that hot carriers and optical near-fields synergistically cooperate to drive the N-demethylation reaction of methylene blue adsorbed on plasmonic nanoparticles, and show that photothermal effects do not play a dominant role.
Upcycling the carbon emissions from the steel industry into chemicals using three metal oxide loops
Authors: Singh Varun , Buelens Lukas C. , Poelman Hilde , Saeys Mark , Marin Guy B. , Galvita Vladimir V.
Published: April 2022

A new combined chemical looping process makes use of any gas stream containing CO2 and fuel to produce carbon monoxide without external energy input. Carbon monoxide can be used for producing a variety of carbon-based products.
Molecular mechanisms of tumour budding and its association with microenvironment in colorectal cancer
Authors: Hatthakarnkul Phimmada , Quinn Jean A. , Ammar Aula , Lynch Gerard , Van Wyk Hester , McMillan Donald C. , Thuwajit Chanitra , Edwards Joanne
Published: April 2022

Colorectal cancer (CRC) is the third most common cancer worldwide. Poor survival of CRC associated with the development of tumour metastasis led to the investigation of the potential biomarkers to predict outcomes in CRC patients. Tumour budding (TB) is a well-known independent prognostic marker for poor survival and disease metastasis. Therefore, it has been suggested that TB status is included in routine clinicopathological factors for risk assessment in CRC. In contrast with a vast majority of studies regarding the prognostic power of TB, there is no clear evidence pertaining to the underlying molecular mechanism driving this phenotype, or an understanding of TB relationship with the tumour microenvironment (TME). The aim of the present study is to present a comprehensive review of TB and tumour cell signalling pathways together with the cross-talk of immune cells that could drive TB formation in CRC.
Neuroligins in neurodevelopmental conditions: how mouse models ofde novomutations can help us link synaptic function to social behavior
Authors: Pohl Tobias T. , Hörnberg Hanna
Published: April 2022

Neurodevelopmental conditions (or neurodevelopmental disorders, NDDs) are highly heterogeneous with overlapping characteristics and shared genetic etiology. The large symptom variability and etiological heterogeneity have made it challenging to understand the biological mechanisms underpinning NDDs. To accommodate this individual variability, one approach is to move away from diagnostic criteria and focus on distinct dimensions with relevance to multiple NDDs. This domain approach is well suited to preclinical research, where genetically modified animal models can be used to link genetic variability to neurobiological mechanisms and behavioral traits. Genetic factors associated with NDDs can be grouped functionally into common biological pathways, with one prominent functional group being genes associated with the synapse. These include the neuroligins (Nlgns), a family of postsynaptic transmembrane proteins that are key modulators of synaptic function. Here, we review how research using Nlgn mouse models has provided insight into how synaptic proteins contribute to behavioral traits associated with NDDs. We focus on how mutations in different Nlgns affect social behaviors, as differences in social interaction and communication are a common feature of most NDDs. Importantly, mice carrying distinct mutations in Nlgns share some neurobiological and behavioral phenotypes with other synaptic gene mutations. Comparing the functional implications of mutations in multiple synaptic proteins is a first step towards identifying convergent neurobiological pathways in multiple brain regions and circuits.
Development of an online condition monitoring based system for the partial demagnetization fault diagnosis of SPM‐type BLDC motor
Authors: Usman Adil , Rajpurohit Bharat Singh
Published: April 2022

This study investigates partial demagnetization faults arising from stator interturn faults in a surface‐mounted permanent‐magnet‐type brushless direct current motor. Because of rotor demagnetization, the fault severity increases significantly owing to an increase in the stator phase current and temperature. The effect of such a fault is reflected in machine parameters such as the motor back‐EMF and radial magnetic flux, which are used to analyse the characteristics of faults. A mathematical model of a machine under possible fault conditions is developed using the finite element method and advanced hybrid model approaches. Experimental investigations are conducted to validate the proposed methodology. Subsequently, the machine parameters used for fault diagnosis are employed to develop an online expert‐based system that can detect, classify and estimate the percent increase in the values of the parameters to determine the fault severity of the machine under fault conditions. It is discovered that the proposed approach is suitable for industrial and commercial applications in electric vehicles, where the machine's state‐of‐health estimation is crucial for avoiding major faults that may result in its failure.
Third Ventricle Craniopharyngioma Intraventricular Tumor: A Case Report and a Brief Literature Review
Authors: Ferreira Neto Otávio da Cunha , Braun Débora Mendes , Dias Artêmio José Araruna , Lemos Nilson Batista , Diniz Andrey Maia Silva , Lima Luís Felipe Gonçalves de , Alencar Neto Joaquim Fechine de , Cabral Bianca Domiciano Vieira Costa , Andrade Jonas Silva , Clemente Rafaelly Maia , Bem Junior Luiz Severo Bem , Almeida Nivaldo Sena , Azevedo Filho Hildo Rocha Cirne
Published: April 2022

Craniopharyngioma is a rare embryonic malformation, usually benign, of the sellar or parasellar regions. In this study, an uncommon case of third ventricle craniopharyngioma and a succinct review of its prevalence are presented. Even with low mortality rates, these injuries involve a high degree of endocrinological, visual, and neuropsychological morbidities, which have a huge impact on the patient's quality of life. Thus, surgical resection is the preferred therapy for tumors that compromise the flow of cerebrospinal fluid. However, due to the location of the craniopharyngioma, surgical management is accompanied by the risk of injury to important adjacent areas with postoperative repercussions. Therefore, the neurosurgeon's experience and the choice of the best surgical approach, are crucial for increasing prognosis.
Surrogate Markers for Hepatitis B Virus Covalently Closed Circular DNA
Authors: Tu Thomas , Bömmel Florian van , Berg Thomas
Published: April 2022

Chronic infection with the hepatitis B virus (HBV) is one of the most common causes of liver disease worldwide. Chronic HBV infection is currently incurable because of the persistence of the viral template for the viral transcripts, covalently closed circular deoxyribonucleic acid (cccDNA). Detecting changes in cccDNA transcriptional activity is key to understanding fundamental virology, determining the efficacy of new therapies, and deciding the optimal clinical management of HBV patients. In this review, we summarize surrogate circulating biomarkers that have been used to infer cccDNA levels and activity in people with chronic hepatitis B. Moreover, we outline the current shortcomings of the current biomarkers and highlight the clinical importance in improving them and expanding their use.
Pd(II)-Catalyzed, Picolinamide-Aided γ-(sp2)-C–H Functionalization of Racemic and Enantiopure α-Methylbenzylamine and Phenylglycinol Scaffolds
Authors: Bisht Narendra , Singh Prabhakar , Babu Srinivasarao Arulananda
Published: April 2022

In this paper, we report the Pd(II)-catalyzed, picolinamide DG-aided sp2 γ-C–H functionalization and expansion of the library of enantiopure α-methylbenzylamine and phenylglycinol scaffolds. We have shown the synthesis of a wide range of racemic and enantiopure ortho-C–H arylated, alkylated, brominated, and iodinated α-methylbenzylamine and phenylglycinol scaffolds. Various racemic and R and S (chiral) sp2 γ-C–H functionalized α-methylbenzylamine and phenylglycinol scaffolds were synthesized with good enantiopurities. Racemic and enantiopure α-methylbenzylamine and phenylglycinol derivatives are important building blocks in organic synthesis and medicinal chemistry. Accordingly, this work contributes to the expansion of the libraries of α-methylbenzylamine and phenylglycinol motifs and substrate scope development through the Pd(II)-catalyzed bidentate directing group picolinamide-aided site-selective C–H activation and functionalization method.
Heterotopic Gastric Mucosa in the Proximal Esophagus (Inlet Patch): Endoscopic Prevalence, Clinico-pathological Characteristics and Its Association with Helicobacter pylori
Authors: Rathod Vivek , A. Anand , Ramesh Nithin Kaidabettu , Shaikh Mohamed Kani
Published: April 2022

Objective To determine the prevalence of the inlet patch (IP), its clinico-pathological features, and its association with Helicobacter pylori.

Materials and Methods A prospective observational study was performed on 1,889 patients referred for esophagogastroduodenoscopy for various reasons, primarily for the evaluation of dyspepsia. All patients were enquired about the presence of symptoms and carefully examined for the presence of IP during upper gastrointestinal (GI) endoscopy. Biopsies were taken from the patients who had IP.

Statistical Analysis All statistical analyses were performed using the Statistical Package for Social Sciences (SPSS) 13.0 software for Windows XP. Categorical variables were compared using the chi-squared test or Fisher's exact test and continuous variables were compared using Student's t-test and univariate analysis. A P-value of less than 0.05 was considered to be statistically significant.

Results Inlet patches were found in 34 of 1,889 patients (1.8%). H. pylori was identified in 23.52% of patients (8/34) with IP. Gastric H. pylori infection was positive in all (08/08) patients who had IP. Colonization of H. pylori was more common in antral type mucosa (6/8). H. pylori positivity in the IP correlated with globus sensation symptom in our study, 87.5% of patients with IP and H. pylori positive had globus sensation.

Conclusion The prevalence of IP seems to be underestimated. H. pylori colonization of the IP is common and it positively correlates with globus sensation and is closely related to the H. pylori density in the stomach. Though preneoplasia within IP is rare, which does not support the recommendation to regularly obtain biopsies for histopathology, it might be beneficial in a subset of patients with persistent globus sensation.
Changing entrepreneurial attitudes for mitigating the global pandemic’s social drama
Authors: Popkova Elena G. , Bogoviz Aleksei V. , Lobova Svetlana V. , Chililov Abdula M. , Sozinova Anastasia A. , Sergi Bruno S.
Published: April 2022

This paper investigates international experiences and perspectives on how entrepreneurs can improve management practices while minimizing the COVID-19 pandemic’s social drama. The paper probes how companies deal with the myriad challenges they face amid the unfolding pandemic and how these processes’ economic and cultural dimensions may exert an enduring effect. A novel dataset analyses how entrepreneurs manage the change of management processes in a sample of ten countries. Three economic impacts on entrepreneurs caused by the pandemic were observed: (1) a deficit as a result of social distancing reduced due to the growth of Internet retailing; (2) a deficit resulting from a fall in demand decreased due to innovations that mitigate this demand-side change; (3) a social crisis in the labour market due to social distance and relocating many employees to remote working practices. In countries with the most considerable number of cases of COVID-19, it is recommended that attitudes towards entrepreneurial risk be raised. In countries with the vastest number of fatal cases per 100,000 people, implications for change management in entrepreneurship are an increase in Internet retailing level, a reduction in entrepreneurial fear of failure, and an increase in entrepreneurial risk awareness. Besides, an anonymous sociological survey among companies’ directors and managers in Russia on management initiatives taken on between late 2020–early 2021 shows that companies maintain a 60.21% readiness for such systemic challenges while their readiness for change increased under the influence of the pandemic. The contribution to the literature of this article lies in rethinking the COVID-19 crisis from the standpoint of social drama, which made it possible to clarify the cause-and-effect relationships of change management in entrepreneurship. For the first time, the paper proposes systemic—socio-economic recommendations for improving the practice of change management against the background of such a social drama.
Disparities and intersectionality in social support networks: addressing social inequalities during the COVID-19 pandemic and beyond
Authors: Zhai Yusen , Du Xue
Published: April 2022

The COVID-19 pandemic has brought social injustice and inequalities to the forefront of global public health. Members of marginalised communities, such as racial/ethnic and sexual minorities, and persons with disabilities, have been shown to be more vulnerable to certain consequences of the pandemic. Research suggests a protective role of social support in health and wellness promotion, yet little is known about the disparities in specific social support sources (i.e., family, friends, and a significant other) between marginalised populations and their counterparts. Also unclear is the role of intersections of these marginalised identities in social support structures affected by the pandemic. Hence, it is crucial to capture and characterise such differences and intersectionality in order to address social inequalities in a time of global crisis. To that end, we surveyed U.S. adults across 45 states to examine their social support from family, friends, and a significant other. Results revealed the disproportionate impacts of the pandemic on social support among racial/ethnic and sexual minorities and persons with disabilities. Additionally, we found that White individuals with a marginalised identity received less social support than their White counterparts but received a similar level of social support when compared with racial/ethnic minorities without additional marginalised identities. This article seeks to elucidate the social support disparities associated with disproportionately increased social isolation for marginalised populations due to socioeconomic disadvantages. Specific recommendations are provided for addressing issues around social disparities and inequalities. With the experience and awareness attained working with marginalised populations, mental health professionals, public health officials, and community stakeholders should be poised to attend to social capital inequalities for diversity, equity, and inclusion now and in the post-pandemic era.
Simple but realistic model of contagion aims for education
Authors: Patrick Chris
Published: April 2022

A fully deterministic dynamical model of the epidemic spreading of disease can teach graduate students as well as aid real-world research during the ongoing pandemic.
Shining light on the underlying mechanisms in photomultiplication-type organic photodetectors
Authors: Piccone Ashley
Published: April 2022

Measurements of the transient photocurrent, photovoltage, capacitance show photomultiplication is a slow process, aim to optimize device structure and performance
Algorithm automatically identifies laser paint removal completion
Authors: Johnson-Groh Mara
Published: April 2022

K-nearest neighbor algorithm helps automate laser paint removal from marine steels
Recent progress in advanced flexible zinc ion battery design
Authors: Zeng Ye , Liang Jin , Zheng Jiaxian , Huang Zihao , Zhang Xiaoyi , Zhu Guoyin , Wang Zhoucheng , Liang Hanfeng , Zhang Yi-Zhou
Published: April 2022

Flexible zinc ion batteries are a promising energy supply for flexible and wearable electronic devices due to their high theoretical capacity, superior safety, low cost, and eco-friendliness. The rational design of highly efficient flexible zinc ion batteries with high electrochemical performance, long cycling life, and excellent mechanical deformability is still a formidable challenge, limiting their widespread application in flexible electronics. This paper summarizes the recent progress in designing and fabricating flexible zinc ion batteries from three aspects: device configurations, battery constituent components, and practical applications. First, we introduce the energy storage mechanism and summarize modification strategies of constituent components, including current collector, zinc anode, cathode, and solid/gel electrolyte, revealing their positive effects on the performance of flexible zinc ion batteries. Then, we elucidate advanced device configurations for flexible zinc ion batteries such as sandwich-type, planar, and fiber-type structures, followed by discussion on the specific properties of flexible zinc ion batteries that enhance their adaptability in practical applications, such as integration with electronics, self-healing ability, resistance to extreme conditions, and responsiveness to environments. The current challenges and outlooks are also presented.
Uncertainty quantification for a multi-phase carbon equation of state model
Authors: Lindquist Beth A. , Jadrich Ryan B.
Published: April 2022

Many physics models have tunable parameters that are calibrated by matching the model output to experimental or calculated data. However, given that calibration data often contain uncertainty and that different model parameter sets might result in a very similar simulated output for a finite calibration data set, it is advantageous to provide an ensemble of parameter sets that are consistent with the calibration data. Uncertainty quantification (UQ) provides a means to generate such an ensemble in a statistically rigorous fashion. In this work, we perform UQ for a multi-phase equation of state (EOS) model for carbon containing the diamond, graphite, and liquid phases. We use a Bayesian framework for the UQ and introduce a novel strategy for including phase diagram information in the calibration. The method is highly general and accurately reproduces the calibration data without any material-specific prior knowledge of the EOS model parameters.
Highly temperature-tolerant p-type carbon nanotube transistor doped with 1,4,5,8,9,11-hexaazatriphenylenehexacarbonitrile
Authors: Matsunaga Yuki , Hirotani Jun , Omachi Haruka
Published: April 2022

The development of chemical doping methods for carbon nanotubes (CNTs) is essential for various electronic applications. However, typical p-doping methods for CNT thin-film transistors (TFTs), using oxygen and water from the atmosphere, are quite sensitive to changes in the surrounding environment, and thus, their poor temperature tolerance is a critical problem during device fabrication. As a p-dopant for CNT–TFTs, we used 1,4,5,8,9,11-hexaazatriphenylenehexacarbonitrile (HATCN), which is a strong electron acceptor aromatic compound. The HATCN-doped CNT–TFTs exhibited p-type characteristics after exposure to a high-temperature environment of 200 °C, and prolonged heating did not degrade the p-doping performance of HATCN. In addition, stable p-type characteristics even under ambient conditions were obtained by encapsulating the surface of the device with a Parylene–Al2O3 bilayer.
Concerning the stability of biexcitons in hybrid HJ aggregates of π-conjugated polymers
Authors: Bittner Eric R. , Silva Carlos
Published: April 2022

Frenkel excitons are the primary photoexcitations in organic semiconductors and are ultimately responsible for the optical properties of such materials. They are also predicted to form bound exciton pairs, termed biexcitons, which are consequential intermediates in a wide range of photophysical processes. Generally, we think of bound states as arising from an attractive interaction. However, here, we report on our recent theoretical analysis, predicting the formation of stable biexciton states in a conjugated polymer material arising from both attractive and repulsive interactions. We show that in J-aggregate systems, 2J-biexcitons can arise from repulsive dipolar interactions with energies E2J > 2EJ, while in H-aggregates, 2H-biexciton states with energies E2H < 2EH can arise corresponding to attractive dipole exciton/exciton interactions. These predictions are corroborated by using ultrafast double-quantum coherence spectroscopy on a [poly(2,5-bis(3-hexadecylthiophene-2-yl)thieno[3,2-b]thiophene)] material that exhibits both J- and H-like excitonic behavior.
Barely fluorescent molecules. I. Twin-discharge jet laser-induced fluorescence spectroscopy of HSnCl and DSnCl
Authors: Rothschopf Gretchen , Smith Tony C. , Clouthier Dennis J.
Published: April 2022

The divalent tin transient molecules HSnCl and DSnCl have been detected for the first time by laser-induced fluorescence (LIF) spectroscopy. HSnCl/DSnCl were produced in a twin-discharge jet using separate precursor streams of SnH4/SnD4 and the discharge products from HCl/DCl, both diluted in high pressure argon. The Ã1A″–X̃1A′ spectrum of HSnCl consists of a single vibronic 000 band with a very short fluorescence lifetime (∼30 ns). In contrast, the LIF spectrum of DSnCl exhibits three bands (000,201,and202), whose fluorescence lifetimes decrease from 393 ns (00) to less than 10 ns (22). Single vibronic level emission spectra have been recorded, providing information on all three vibrational modes in the ground state. Previous detailed ab initio studies indicate that these molecules dissociate into SnCl + H on the excited state potential surface and this is the cause of the short fluorescence lifetimes and breaking off of the fluorescence. It is fortunate that the HSnCl excited state zero-point level is still fluorescent or it would not be detectable by LIF spectroscopy.
Resonant defect recombination-localized surface plasmon energy transfer and exciton dominated fluorescence in ZnO–Au–ZnO multi-interfaced heteronanocrystals
Authors: Xi Xiaonan , Li Yuanyuan , Liang Tianyuan , Wu Huaxin , Miao Ruonan , Gu Chao , Fan Jiyang
Published: April 2022

The semiconductor–metal heteronanocrystals (HNCs) that possess a perfect epitaxial interface can accommodate novel and interesting physical phenomena owing to the strong interaction and coupling between the semiconductor excitons and metal plasmons at the interface. Here, we fabricate the pyramidal ZnO–Au HNCs and study their unique photophysical properties. Several Au nanospheres are perfectly epitaxially bound with a single ZnO NC owing to the small lattice mismatch between them and there are also ZnO–Au–ZnO sandwiched HNCs. There is a strong coupling between the green defect-associated recombination in the ZnO NC and the localized surface plasmon resonance (LSPR) of the Au nanosphere at the interface of the HNC. This leads to resonant defect recombination–LSPR energy transfer and resultant nearly complete quenching of the green defect luminescence of the ZnO NCs in the HNCs, leaving only the UV exciton luminescence. The lifetimes of both the green and UV emission bands decrease significantly in the ZnO–Au HNCs relative to that of the pure ZnO NCs owing to the combined effect of resonance energy transfer and surface plasmon enhanced radiative transition. The exponent of the luminescence intensity–excitation intensity power function for the green emission band is remarkably smaller than unity, and this suggests that the involved defects have an intermediate concentration.
Modelling biologically important NH⋯π interactions
Authors: Pozharskii A. F. , Dyablo O. V. , Ozeryanskii V. A. , Pogosova O. G.
Published: April 2022

The review summarizes the information accumulated to date on NH⋯π interactions, which represent an unconventional type of hydrogen bonding between the NH-donor (most often amines, carboxamides or NH heterocycles) and a proton acceptor (usually an electron-rich aromatic or heteroaromatic rings). The importance of NH⋯π interactions stems mainly from their involvement in the structuring of proteins and some other biomolecules, as well as in molecular recognition processes. The growth of knowledge on NH⋯π interactions contributes to a better understanding of complex biochemical processes, stimulates the development of new drugs and improved methods of their targeted delivery. Since the study of NH⋯π interactions on living tissues is rather difficult, their modelling on various synthetic objects has become widespread. In the review, various types of such models are systematized and compared in regard of their geometry, stereo dynamics, and NH⋯π binding energy. Examples of reactions driven by NH⋯π interaction are given, as well as examples of practical use. A rational classification of existing models is proposed, which facilitates their convenient consideration.
 The bibliography includes 196 references.
Gradual domestication of root traits in the earliest maize from Tehuacán
Authors: Lopez-Valdivia Ivan , Perkins Alden C. , Schneider Hannah M. , Vallebueno-Estrada Miguel , Burridge James D. , González-Orozco Eduardo , Montufar Aurora , Montiel Rafael , Lynch Jonathan P. , Vielle-Calzada Jean-Philippe
Published: April 2022

Significance

Despite their importance in supplying nutrients, root traits related to maize domestication are scarce. We used laser ablation tomography to characterize the root architecture and anatomy of 5,300-y-old maize specimens recovered from San Marcos (Tehuacán, Mexico), revealing exquisite preservation of their cellular organization. Outer cortical cells contained thick and lignified walls typical of extant maize adapted to hard soils. By contrast, the absence of seminal roots is only found in the maize ancestor, teosinte. Two genes important for seminal root development had mutations that could relate to their absence. Our results indicate that some traits related to drought adaptation were not fully present in the earliest maize from Tehuacán, providing clues to conditions prevailing during early maize cultivation.
Environmental inequality in the neighborhood networks of urban mobility in US cities
Authors: Brazil Noli
Published: April 2022

Significance

Exposure to air pollution within one’s residential neighborhood has detrimental consequences on health and well-being. Yet, this effect may be mitigated or exacerbated because individuals spend much of their time outside of their residential neighborhood to travel to neighborhoods across a city for work, errands, and leisure. Using mobile phone data to track neighborhood mobility in large US cities, I find that residents from minority and poor neighborhoods travel to neighborhoods that have greater air pollution levels than the neighborhoods that residents from White and nonpoor neighborhoods visit. These results reveal that minority and poor residents face environmental inequalities at three geographic scales: the neighborhoods they live in, their bordering neighborhoods, and the neighborhoods they visit.
Nanoscale engineering of gold particles in 18th century Böttger lusters and glazes
Authors: Chari Celia S. , Taylor Zane W. , Bezur Anikó , Xie Sujing , Faber Katherine T.
Published: April 2022

Significance

The exploration of gold-based colorants in glass and glazes led Nobel Laureate Richard Zsigmondy to the study of colloids, and to the development, with Henry Siedentopf, of the earliest microscopes capable of resolving such small length scales. Zsigmondy’s studies were preceded by alchemical investigations starting in the 17th century that yielded the gold-based Purple of Cassius, and experiments in the early 18th century resulting in an unusual purple iridescent porcelain overglaze, called Böttger luster, at the Meissen Manufactory. We discuss the first nano-scale characterization of Böttger luster, its successful replication, and propose an explanation for its optical properties based on the physics of scattering and interference of nanoparticle arrays.
Spin-state transition of Co ion (S
= 2 →
S
= 5/2) in hole substituted 1D chain of Ca3Co2O6
Authors: Bisht Gajendra Singh , Pal D
Published: April 2022

We have discovered spin-state transition (S = 2 to S = 5/2) of Co ions due to Mg substitution in the Ca3Co2O6 apparent in the magnetic susceptibility, x-ray photoelectron spectroscopy (XPS), and first-principles study. We also examine the effect of Mg substitution on the magnetic and electronic structure of Ca3Co2O6 by first-principles calculations. It involves generalized gradient approximation with Coulomb interaction (U) in exchange–correlation energy functional. Our study shows a reasonable agreement between effective magnetic moment (μ
eff) determined from the Curie–Weiss fit with that from the XPS analysis and first-principles calculations study. We have attributed the decrease in positive intra-chain exchange interaction constant (J
1/k
B) to the antiferromagnetically coupled induced Co4+ ions (S = 5/2) arising from the Mg2+ ions substitution. The in-field metamagnetic transitions in the isothermal M(H) curves below the critical field (H
c) have been accurately mapped and successfully explained by the change in magnetic entropy (ΔS) calculations and Arrott plots. Electronic structure study reveals hole-type doping of Mg atom, and the Fermi level (E
F) shifts below. Density of state and band structure calculation indicates strong hybridization between partial states of Co-3d and O-2p orbitals for the Mg-doped compound due to which the band crossing at Fermi level is observed, and a hole-type Fermi surface is formed.
A ridge estimation-sequence quadratic programming constraint optimization algorithm for data processing in multi-spectral thermometry
Authors: Zhang Yucun , Zou Zhou , Yan Fang
Published: April 2022

Multi-spectral thermometry plays an important role in the field of high temperature measurement. The data processing is the focus of multi-spectral thermometry, which usually requires an hypothetical emissivity model. The deviation between the hypothetical model and the true emissivity can inevitably affect the accuracy of the true temperature inversion. In order to eliminate the influence of hypothetical model on data processing results, a ridge estimation-sequence quadratic programming constraint optimization algorithm for data processing in multi-spectral thermometry is proposed. The algorithm can simultaneously calculate the true temperature and spectral emissivity of the target without hypothetical emissivity model in advance. The efficiency and superiority of proposed algorithm can be confirmed by the simulation results.
Effect of Fe2O3/Al addition on the neutron shielding, microstructure, thermal, and mechanical properties of HDPE composites
Authors: Reda A M , Kansouh W A , Eid E A
Published: April 2022

High-density polyethylene (HDPE) has been reinforced with various ratios of iron oxide (α-Fe2O3) and aluminum (Al) nanoparticles (NPs) to be used as shielding materials against nuclear radiation. The examination of scanning electron microscopy images (SEM) reveals small polymeric agglomerations besides the uniform dispersion of Al and α-Fe2O3 NPs. Also, all stress parameters (

i
.e

σ

Y

,

σ

M

,
a
n
d

σ

f

) decremented after incorporating the 40 wt% α-Fe2O3 NPs into the HDPE matrix. Meanwhile, the mutual additions of Al powder with α-Fe2O3 NPs in samples P2 (30% α-Fe2O3/10% Al) and P3 (20% α-Fe2O3/20% Al) led to improving the tensile parameters. These results may be due to the physical reactions between α-Fe2O3 NPs and Al powder and polymeric chains. Generally, the polymeric materials are characterized as low-cost and lightweight compared to standard shielding materials. The fast neutrons and gamma-rays shielding properties of the prepared samples were experimentally measured using a shielded 239Pu-Be source and stilbene detector. The neutron removal cross-section (

∑

R

) and gamma-ray liner attenuation coefficient (μ), in addition to the mean free path (MFP) and the half-value layer (HVL) for the prepared samples, have been calculated. The results showed that the nanocomposite containing 40% iron oxide had improved the neutron and gamma-ray shielding properties compared to the pure HDPE and other prepared nanocomposites. The values of MFP and HVL indicate that the prepared nanocomposites can be used for shielding gamma-rays and neutrons from radioactive isotopes and from other nuclear radiation facilities compared to common shielding materials such as concrete.
QUBIC II: Spectral polarimetry with bolometric interferometry
Authors: Mousset L. , Gamboa Lerena M.M. , Battistelli E.S. , de Bernardis P. , Chanial P. , D'Alessandro G. , Dashyan G. , De Petris M. , Grandsire L. , Hamilton J.-Ch. , Incardona F. , Landau S. , Marnieros S. , Masi S. , Mennella A. , O'Sullivan C. , Piat M. , Ricciardi G. , Scóccola C.G. , Stolpovskiy M. , Tartari A. , Thermeau J.-P. , Torchinsky S.A. , Voisin F. , Zannoni M. , Ade P. , Alberro J.G. , Almela A. , Amico G. , Arnaldi L.H. , Auguste D. , Aumont J. , Azzoni S. , Banfi S. , Baù A. , Bélier B. , Bennett D. , Bergé L. , Bernard J.-Ph. , Bersanelli M. , Bigot-Sazy M.-A. , Bonaparte J. , Bonis J. , Bunn E. , Burke D. , Buzi D. , Cavaliere F. , Chapron C. , Charlassier R. , Cobos Cerutti A.C. , Columbro F. , Coppolecchia A. , De Gasperis G. , De Leo M. , Dheilly S. , Duca C. , Dumoulin L. , Etchegoyen A. , Fasciszewski A. , Ferreyro L.P. , Fracchia D. , Franceschet C. , Ganga K.M. , García B. , García Redondo M.E. , Gaspard M. , Gayer D. , Gervasi M. , Giard M. , Gilles V. , Giraud-Heraud Y. , Gómez Berisso M. , González M. , Gradziel M. , Hampel M.R. , Harari D. , Henrot-Versillé S. , Jules E. , Kaplan J. , Kristukat C. , Lamagna L. , Loucatos S. , Louis T. , Maffei B. , Mandelli S. , Marty W. , Mattei A. , May A. , McCulloch M. , Mele L. , Melo D. , Montier L. , Mundo L.M. , Murphy J.A. , Murphy J.D. , Nati F. , Olivieri E. , Oriol C. , Paiella A. , Pajot F. , Passerini A. , Pastoriza H. , Pelosi A. , Perbost C. , Perciballi M. , Pezzotta F. , Piacentini F. , Piccirillo L. , Pisano G. , Platino M. , Polenta G. , Prêle D. , Puddu R. , Rambaud D. , Rasztocky E. , Ringegni P. , Romero G.E. , Salum J.M. , Schillaci A. , Scully S. , Spinelli S. , Stankowiak G. , Supanitsky A.D. , Timbie P. , Tomasi M. , Tucker C. , Tucker G. , Viganò D. , Vittorio N. , Wicek F. , Wright M. , Zullo A.
Published: April 2022

Bolometric interferometry is a novel technique that has the ability to perform spectral imaging. A bolometric interferometer observes the sky in a wide frequency band and can reconstruct sky maps in several sub-bands within the physical band in post-processing of the data. This provides a powerful spectral method to discriminate between the cosmic microwave background (CMB) and astrophysical foregrounds. In this paper, the methodology is illustrated with examples based on the Q & U Bolometric Interferometer for Cosmology (QUBIC) which is a ground-based instrument designed to measure the B-mode polarization of the sky at millimeter wavelengths. We consider the specific cases of point source reconstruction and Galactic dust mapping and we characterize the point spread function as a function of frequency. We study the noise properties of spectral imaging, especially the correlations between sub-bands, using end-to-end simulations together with a fast noise simulator. We conclude showing that spectral imaging performance are nearly optimal up to five sub-bands in the case of QUBIC.
Characterization of anisotropic Gaussian random fields by Minkowski tensors
Authors: Klatt Michael Andreas , Hörmann Max , Mecke Klaus
Published: April 2022

Gaussian random fields are among the most important models of amorphous spatial structures and appear across length scales in a variety of physical, biological, and geological applications, from composite materials to geospatial data. Anisotropy in such systems can be sensitively and comprehensively characterized by the so-called Minkowski tensors (MTs) from integral geometry. Here, we analytically calculate expected MTs of arbitrary rank for the level sets of Gaussian random fields. The explicit expressions for interfacial MTs are confirmed in detailed simulations. We demonstrate how the MTs detect and characterize the anisotropy of the level sets, and we clarify which shape information is contained in the MTs of different rank. Using an irreducible representation of the MTs in the Euclidean plane, we show that higher-rank tensors indeed contain additional anisotropy information compared to a rank two tensor. Surprisingly, we can nevertheless predict this information from the second-rank tensor if we assume that the random field is Gaussian. This relation between tensors of different rank is independent of the details of the model. It is, therefore, useful for a null hypothesis test that detects non-Gaussianities in anisotropic random fields.
Design of efficient single target real-time beam tracking system
Authors: Hu Ji , Wong Sai-wai
Published: April 2022

This paper builds a system for real-time tracking of a single target Radio Frequency (RF) signal source, in which the transmitter uses a low-cost HackRF One software radio transceiver platform, and the receiving antenna array uses two monopole antennas to form a 1×2 receiving array. The receiver uses Xilinx 7-Series development board Zedboard and AD9361 RF transceiver to build a wireless receiving platform to process the received signal. In this RF beam tracking system, it needs to perform Direction of Arrival (DOA) estimation on the calibrated signal, the DOA algorithm plays a crucial role in the accuracy of beam pointing and system running time, the MUSIC algorithm takes some time to conduct spectrum peak search, so the Root-Music algorithm is used here to avoid the spectrum peak search problem. To enable the Root-MUSIC algorithm to be better executed on this two-element receiving platform, this work simplifies the entire calculation process, requiring only a small amount of calculation and running time to complete the DOA estimation step, which effectively save FPGA processing time and computing resources. It provides a guarantee for the real-time performance of the system.
A simple algorithm for diffuse optical tomography without Jacobian inversion
Authors: Paul Ria , Murali K , Chetia Sumana , Varma Hari M
Published: April 2022

A computationally simpler algorithm to reconstruct the optical property distribution of turbid media using diffuse optical tomographic principles is presented. The proposed algorithm eliminates the requirement of large Jacobian matrix inversion which otherwise is essential for tomographic imaging. The most significant Jacobians are identified based on proper thresholding of the measurement and the intersection of these Jacobians gives the approximate spatial location of the inhomogeneity. The algorithm is tested and optimized using simulations and further validated using tissue-mimicking phantom-based experiments and in-vivo small-animal experiments.
Extending the relative seriality formalism for interpretable deep learning of normal tissue complication probability models
Authors: Yusufaly Tahir I
Published: April 2022

We formally demonstrate that the relative seriality (RS) model of normal tissue complication probability (NTCP) can be recast as a simple neural network with one convolutional and one pooling layer. This approach enables us to systematically construct deep relative seriality networks (DRSNs), a new class of mechanistic generalizations of the RS model with radiobiologically interpretable parameters amenable to deep learning. To demonstrate the utility of this formulation, we analyze a simplified example of xerostomia due to irradiation of the parotid gland during alpha radiopharmaceutical therapy. Using a combination of analytical calculations and numerical simulations, we show for both the RS and DRSN cases that the ability of the neural network to generalize without overfitting is tied to ‘stiff’ and ‘sloppy’ directions in the parameter space of the mechanistic model. These results serve as proof-of-concept for radiobiologically interpretable deep learning of NTCP, while simultaneously yielding insight into how such techniques can robustly generalize beyond the training set despite uncertainty in individual parameters.
On the first eigenvalue of the 𝑝-Laplacian on Riemannian manifolds
Authors: Seto Shoo
Published: April 2022

We survey results on the first (nontrivial) eigenvalue of the

p
p

-Laplace operator for both the Dirichlet and Neumann/closed condition on Riemannian manifolds. We also discuss an extension of the

p
p

-Laplace operator to act on differential forms. Some potential future directions of work are also given.
Biharmonic and biconservative hypersurfaces in space forms
Authors: Fetcu Dorel , Oniciuc Cezar
Published: April 2022

We present some general properties of biharmonic and biconservative submanifolds and then survey recent results on such hypersurfaces in space forms. We also propose an alternative version of a well-known result of Nomizu and Smyth for hypersurfaces, by replacing the CMC hypothesis with the more general condition of biconservativity.
Totally geodesic surfaces in the complex quadric
Authors: Moruz Marilena , Van der Veken Joeri , Vrancken Luc , Wijffels Anne
Published: April 2022

We provide explicit descriptions of all totally geodesic surfaces of a complex quadric of arbitrary dimension. Totally geodesic submanifolds of complex quadrics were first studied by Chen and Nagano in 1977 and fully classified by Klein in 2008. In particular, we interpret some of these surfaces as Gaussian images of surfaces in a unit three-sphere and all others as elements of the Veronese sequence introduced by Bolton, Jensen, Rigoli and Woodward. We also briefly discuss how the classification can be translated to the non-compact dual of the complex quadric, namely the hyperbolic complex quadric.