bluuebunny/crossref_metadata_2025 huggingface dataset:
Macroalgae in biomonitoring of metal pollution in the Bay of Bengal coastal waters of Cox’s Bazar and surrounding areas
Authors: Rakib Md.Refat Jahan , Jolly Y. N. , Dioses-Salinas Diana Carolina , Pizarro-Ortega Carlos Ivan , De-la-Torre Gabriel Enrique , Khandaker Mayeen Uddin , Alsubaie Abdullah , Almalki Abdulraheem S. A. , Bradley D. A.
Published: October 2021

Although coastal water marine algae have been popularly used by others as indicators of heavy metal pollution, data within the Bay of Bengal for the estuarine Cox’s Bazar region and Saint Martin’s Island has remained scarce. Using marine algae, the study herein forms an effort in biomonitoring of metal contamination in the aforementioned Bangladesh areas. A total of 10 seaweed species were collected, including edible varieties, analyzed for metal levels through the use of the technique of EDXRF. From greatest to least, measured mean metal concentrations in descending order have been found to be K > Fe > Zr > Br > Sr > Zn > Mn > Rb > Cu > As > Pb > Cr > Co. Potential toxic heavy metals such as Pb, As, and Cr appear at lower concentration values compared to that found for essential mineral elements. However, the presence of Pb inSargassum oligocystumspecies has been observed to exceed the maximum international guidance level. Given that some of the algae species are cultivated for human consumption, the non-carcinogenic and carcinogenic indices were calculated, shown to be slightly lower than the maxima recommended by the international organizations. Overall, the present results are consistent with literature data suggesting that heavy metal macroalgae biomonitoring may be species-specific. To the best of our knowledge, this study represents the first comprehensive macroalgae biomonitoring study of metal contamination from the coastal waters of Cox’s Bazar and beyond.
PIM1 phosphorylation of the androgen receptor and 14-3-3 ζ regulates gene transcription in prostate cancer
Authors: Ruff Sophie E. , Vasilyev Nikita , Nudler Evgeny , Logan Susan K. , Garabedian Michael J.
Published: October 2021

PIM1 is a serine/threonine kinase over-expressed in prostate cancer. We have previously shown that PIM1 phosphorylates the androgen receptor (AR), the primary therapeutic target in prostate cancer, at serine 213 (pS213), which alters expression of select AR target genes. Therefore, we sought to investigate the mechanism whereby PIM1 phosphorylation of AR alters its transcriptional activity. We previously identified the AR co-activator, 14-3-3 ζ, as an endogenous PIM1 substrate in LNCaP cells. Here, we show that PIM1 phosphorylation of AR and 14-3-3 ζ coordinates their interaction, and that they extensively occupy the same sites on chromatin in an AR-dependent manner. Their occupancy at a number of genes involved in cell migration and invasion results in a PIM1-dependent increase in the expression of these genes. We also use rapid immunoprecipitation and mass spectrometry of endogenous proteins on chromatin (RIME), to find that select AR co-regulators, such as hnRNPK and TRIM28, interact with both AR and 14-3-3 ζ in PIM1 over-expressing cells. We conclude that PIM1 phosphorylation of AR and 14-3-3 ζ coordinates their interaction, which in turn recruits additional co-regulatory proteins to alter AR transcriptional activity.
Multivariate trait analysis reveals diatom plasticity constrained to a reduced set of biological axes
Authors: Argyle Phoebe A , Walworth Nathan G , Hinners Jana , Collins Sinéad , Levine Naomi M , Doblin Martina A
Published: October 2021

Trait-based approaches to phytoplankton ecology have gained traction in recent decades as phenotypic traits are incorporated into ecological and biogeochemical models. Here, we use high-throughput phenotyping to explore both intra- and interspecific constraints on trait combinations that are expressed in the cosmopolitan marine diatom genus Thalassiosira. We demonstrate that within Thalassiosira, phenotypic diversity cannot be predicted from genotypic diversity, and moreover, plasticity can create highly divergent phenotypes that are incongruent with taxonomic grouping. Significantly, multivariate phenotypes can be represented in reduced dimensional space using principal component analysis with 77.7% of the variance captured by two orthogonal axes, here termed a ‘trait-scape’. Furthermore, this trait-scape can be recovered with a reduced set of traits. Plastic responses to the new environments expanded phenotypic trait values and the trait-scape, however, the overall pattern of response to the new environments was similar between strains and many trait correlations remained constant. These findings demonstrate that trait-scapes can be used to reveal common constraints on multi-trait plasticity in phytoplankton with divergent underlying phenotypes. Understanding how to integrate trait correlational constraints and trade-offs into theoretical frameworks like biogeochemical models will be critical to predict how microbial responses to environmental change will impact elemental cycling now and into the future.
Correction: Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases
Authors: de Boer Casper , McGregor Nicholas G. S. , Peterse Evert , Schröder Sybrin P. , Florea Bogdan I. , Jiang Jianbing , Reijngoud Jos , Ram Arthur F. J. , van Wezel Gilles P. , van der Marel Gijsbert A. , Codée Jeroen D. C. , Overkleeft Herman S. , Davies Gideon J.
Published: October 2021

Correction for ‘Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases’ by Casper de Boer et al., RSC Chem. Biol., 2020, 1, 148–155, DOI: 10.1039/d0cb00045k.
Pd-Catalyzed and ligand-enabled alkene difunctionalization via unactivated C–H bond functionalization
Authors: Barve Balaji D. , Kuo Yao-Haur , Li Wen-Tai
Published: October 2021

Pd-Catalyzed and ligand-enabled difunctionalization of olefins through the unreactive C–H bond functionalization of either alkene or their respective coupling partners was summarized.
Oxygen vacancy and nitrogen doping collaboratively boost performance and stability of TiO2-supported Pd catalysts for CO2 photoreduction: a DFT study
Authors: Zheng Mingyue , Yang Jing , Fan Weiliu , Zhao Xian
Published: October 2021

The combination of VO and Ni doping achieves the integration of effective electron transfer, high activity and good stability.
A highly active Cp*Ir complex with an anionic N,N-donor chelate ligand catalyzes the robust regeneration of NADH under physiological conditions
Authors: Zhao Li-Jun , Yin Zequn , Shi Yusheng , Sun Wen , Sun Libo , Su Huijuan , Sun Xun , Zhang Weiling , Xia Linyan , Qi Caixia
Published: October 2021

Anionic N,N-donor ligand chelate iridium complex [Cp*Ir(pba)Cl] 3 was developed, and exhibited the highest activity for NADH regeneration so far and stable chemoenzymatical coordinate catalytic performance for acetophenone enantioselective hydrogenation.
Uncovering the potential of aqueous solutions of deep eutectic solvents on the extraction and purification of collagen type I from Atlantic codfish (Gadus morhua)
Authors: Bisht Meena , Martins Margarida , Dias Ana C. R. V. , Ventura Sónia P. M. , Coutinho João A. P.
Published: October 2021

Deep eutectic solvents as efficient solvents to extract and purify collagen from codfish skins.
Isotruxene-based porous polymers as efficient and recyclable photocatalysts for visible-light induced metal-free oxidative organic transformations
Authors: Zhang Haowen , Zhou Cen , Zheng Ying , Zhang Xiao
Published: October 2021

The first implementation of isotruxene-based porous polymers (IsoPOPs) in catalysis is described, which allows oxidative chemical transformations to be conducted with air as the benign oxidant under visible-light irradiation in a metal-free fashion.
Graphitic carbon nitride (g-C3N4) as a sustainable heterogeneous photocatalyst for metal free and oxygen-tolerant photo-atom transfer radical polymerization (photo-ATRP)
Authors: Zhou Lin , Zhang Ziqi , Li Mengmeng , Wang Qi , Gao Jiani , Li Kebin , Lei Lin
Published: October 2021

Graphitic carbon nitride (g-C3N4) is used as a sustainable heterogeneous photocatalyst, which can effectively catalyze photo-atom transfer radical polymerization (photo-ATRP) without any additives.
Rapid online fractionated analyses of rare earth elements in a dinosaur fossil by mass spectrometry
Authors: Li Faliang , Li Hui , Yang Zequn , Huang Timothy D. , Wu Debo , Wang Shuanglong
Published: October 2021

An online mass-spectrometry approach was developed to sequentially quantify five fractions of REEs (water-soluble, exchangeable, reducible, oxidizable, and crystalline) within 1 h with consumption of 1 mg of sample.
Structure–activity relationships of valine, tert-leucine, and phenylalanine amino acid-derived synthetic cannabinoid receptor agonists related to ADB-BUTINACA, APP-BUTINACA, and ADB-P7AICA
Authors: Sparkes Eric , Cairns Elizabeth A. , Kevin Richard C. , Lai Felcia , Grafinger Katharina Elisabeth , Chen Shuli , Deventer Marie H. , Ellison Ross , Boyd Rochelle , Martin Lewis J. , McGregor Iain S. , Gerona Roy R. , Hibbs David E. , Auwärter Volker , Glass Michelle , Stove Christophe , Banister Samuel D.
Published: October 2021

Synthetic cannabinoid receptor agonists (SCRAs) remain one the most prevalent classes of new psychoactive substances (NPS) worldwide, and examples are generally poorly characterised at the time of first detection.
Polymer-buried van der Waals magnets for promising wearable room-temperature spintronics
Authors: Hu Liang , Zhou Jian , Hou Zhipeng , Su Weitao , Yang Bingzhang , Li Lingwei , Yan Mi
Published: October 2021

A record Curie temperature of well above 400 K is reversibly realized in large-tensile strain-coupled van der Waals Fe3GeTe2 nanoflakes.
Revisiting the factors influencing the magnetic resonance contrast of Gd2O3 nanoparticles
Authors: Liu Yanyue , Dai Yingfan , Li Haifeng , Duosiken Dida , Tang Na , Sun Kang , Tao Ke
Published: October 2021

Magnetic resonance contrast of gadolinium oxide nanoparticles depends on the isoelectric point.
ROS-responsive microcapsule assembly from Turkish galls for ulcerative colitis therapy
Authors: Liu Yonghao , Zang Jie , Lv Mengying , Xue Rui , Liu Xuetao , Hu Yuting , Yu Wei , Wang Xinjun , Han Bo
Published: October 2021

Schematic representation of the preparation process of GTA–FeIII MCPs (B) and the ROS-responsive drug release at inflammation sites (A).
Dianionic nitrogen-rich triazole and tetrazole-based energetic salts: synthesis and detonation performance
Authors: Yadav Abhishek Kumar , Ghule Vikas D. , Dharavath Srinivas
Published: October 2021

To develop explosives with excellent stability, and detonation performance, a series of nitrogen-rich salts were synthesized from 5,5′-methylenebistetrazolate and N,N′-(methylenebis(1H-1,2,4-triazole-3,5-diyl))dinitramide.
Reversible CO2storage and efficient separation using Ca decorated porphyrin-like porous C24N24fullerene: a DFT study
Authors: Esrafili Mehdi D. , Hosseini Sharieh
Published: October 2021

Using dispersion-corrected DFT calculations, the potential application of a porphyrin-like porous fullerene (C24N24) as an efficient material for CO2storage and separation was investigated.
NiSe/Ni3Se2 on nickel foam as an ultra-high-rate HER electrocatalyst: common anion heterostructure with built-in electric field and efficient interfacial charge transfer
Authors: Ma Xin , Yang Jingbo , Xu Xiaoqi , Yang Hangqi , Peng Chuang
Published: October 2021

The NiSe/Ni3Se2 common anion heterostructure is a superior electrocatalyst for ultra-high-rate HER owing to its built-in electric field and efficient interfacial charge transfer.
Curcumin-loaded metal oxide aerogels: supercritical drying and stability
Authors: Hamd Wael , Patra Digambara , El-Rassy Houssam
Published: October 2021

Metal oxide aerogels are investigated as encapsulation media for curcumin, a polyphenol having potential uses in medicine, probing, and sensing.
Enhanced photoresponse of a MoS2 monolayer using an AAO template
Authors: Deng Chenhua , Kang Kaifei , Yu Zhonghai , Zhou Chao , Yang Sen
Published: October 2021

Schematic diagram of absorption principle and SEM image of the Al–AAO–MoS2, and Raman results of Al–AAO–MoS2 and Si/SiO2-MoS2.
The advanced synthetic modifications and applications of multifunctional PAMAM dendritic composites
Authors: Patle Ramkrishna Y. , Meshram Jyotsna S.
Published: October 2021

The profound advances in dendrimer chemistry have led to new horizons in polymer science.
Enhancing Ag-alloyed Cu2ZnSnS4 solar cell performance by interfacial modification via In and Al
Authors: Fan Ping , He Yang , Liang Guangxing , Xie Zhigao , Yu Zixuan , Lin Jinhong , Chen Shuo , Zheng Zhuanghao , Luo Jingting , Su Zhenghua
Published: October 2021

Interface doping with In3+ and Al3+ improved the concentrations of n and p type carriers on CdS/CAZTS heterojunction and the interface band alignment was also optimized, 11.2% and 10.7% efficiency for devices with ITO and AZO were achieved.
LSPR immuno-sensing based on iso-Y nanopillars for highly sensitive and specific imidacloprid detection
Authors: Vestri Ambra , Rippa Massimo , Marchesano Valentina , Sagnelli Domenico , Margheri Giancarlo , Zhou Jun , Petti Lucia
Published: October 2021

A label-free sensitive and specific LSPR immunosensor for imidacloprid detection based on a 2D nanostructured metasurface.
A ratiometric electrochemical biosensor for glycated albumin detection based on enhanced nanozyme catalysis of cuprous oxide-modified reduced graphene oxide nanocomposites
Authors: Li Zhi , Zhang Jingwen , Dai Ge , Luo Feifei , Chu Zhaohui , Geng Xing , He Pingang , Zhang Fan , Wang Qingjiang
Published: October 2021

A ratiometric electrochemical biosensor based on enhanced nanozyme catalysis of cuprous oxide-modified reduced graphene oxide nanocomposites was developed and applied in the determination of glycated albumin in the blood serum of diabetic mice.
Carbon nanotube-reinforced cell-derived matrix-silk fibroin hierarchical scaffolds for bone tissue engineering applications
Authors: Lemos Rafael , Maia F. Raquel , Ribeiro Viviana P. , Costa João B. , Coutinho Paulo J. G. , Reis Rui L. , Oliveira Joaquim M.
Published: October 2021

Elastic and bioactive scaffolds were developed, which supported cell adhesion, spreading, proliferation, and ultimately, osteogenic differentiation without the need for a supplemented medium.
Temperature-dependent Raman study and determination of anisotropy ratio and in-plane thermal conductivity of low-temperature CVD-grown PdSe2 using unpolarized laser excitation
Authors: Jena Tadasha , Hossain Md Tarik , Giri P. K.
Published: October 2021

Determination of the anisotropy ratio and in-plane thermal conductivity of low-temperature CVD-grown PdSe2 using unpolarized laser excitation is reported.
Polarization-dependent hole generation in 222 nm-band AlGaN-based Far-UVC LED: a way forward to the epi-growers of MBE and MOCVD
Authors: Malik Shahzeb , Usman Muhammad , Khan M. Ajmal , Hirayama Hideki
Published: October 2021

AGaN-based 222 nm-band Far-ultraviolet-C (Far-UVC) light-emitting-diodes (LEDs) offer a promising technology for the disinfection of surface, air, water, food and airborne disease transmission in occupied spaces, including COVID-19 (SARS-CoV-2) and other viral diseases, when it is meticulously designed, engineered, and applied.
Surfactant-induced chirality transfer, amplification and inversion in a cucurbit[8]uril–viologen host–guest supramolecular system
Authors: Xu Hui , Lu Huanhuan , Zhang Qi , Chen Meng , Shan Yahan , Xu Tian-Yi , Tong Fei , Qu Da-Hui
Published: October 2021

The L4 molecular chirality can be amplified to a supramolecular scale by coassembling with SDS. Further incorporation of the CB[8] leads to a chirality inversion via a change from lamellar structure of L4/SDS to rectangular stacking in L4/SDS/CB[8].
Nicht-Interventionelle Studie zum Einfluss eines
Damiana-Präparates auf die Verbesserung der Symptomatik des Mangels oder
Verlusts von sexuellem Verlangen bei Frauen
Authors: Rotmann Andre-Robert , Mordhorst Neele , Klein Thomas , Kassen Annette
Published: October 2021

Blattextrakte von Damiana (Turnera diffusa) werden in der Therapie des
Mangels oder Verlusts von sexuellem Verlangen eingesetzt. Zur Erhebung der
Veränderung der empfundenen klinischen Symptomatik wurde eine
multizentrische, nicht-interventionelle Studie (NIS) bei Frauen (n=70)
durchgeführt. Nach achtwöchiger Einnahme eines pflanzlichen
Arzneimittels mit Damiana-Extrakt (675 mg täglich) zeigten die
Patientinnen (n=35; 46,1±10,9 Jahre) eine signifikante Zunahme
beim weiblichen sexuellen Funktionsindex (Female Sexual Function Index (FSFI-d);
p<0,01) und dessen Domänen. Währenddessen sank der Score
der weiblichen sexuellen Belastungsskala (Female Sexual Distress
Scale–Revised (FSDS-R)) signifikant (p<0,01) bei tendenzieller
Zunahme der Lebensqualität (Münchner
Lebensqualitäts-Dimensionen Liste (MLDL)). Die Ergebnisse der NIS legen
nahe, dass das Arzneimittel einen positiven Beitrag auf die individuelle
Symptomatik sowie den empfundenen persönlichen Leidensdruck leisten kann
und können daher als Basis für konfirmatorische klinische
Studien dienen.
Facile Synthesis of Spirocyclic Tetrahydroquinolines via C(sp3)–H Functionalization in a Cascade Redox Process
Authors: Xiao Jian , Yu Shitao , Yu Liping , Qiu Bin , Dong Peizhen
Published: October 2021

An environmentally benign cascade redox process was developed for the efficient construction of the pharmaceutically significant spirocyclic tetrahydroquinolines via sequential SNAr/Knoevenagel condensation/[1,5]-hydride transfer/cyclization. This green transformation has the features of being catalyst-free, additive-free, operationally simple, and has high step- and atom-economy.
Airway Management and Risk Factors for Prolonged Intubation in Patients with Severe Croup
Authors: Oi Tadashi , Tsuboi Norihiko , Tsuboi Kaoru , Nakagawa Satoshi
Published: October 2021

Croup is a common respiratory illness in children with a substantial variation in the severity of symptoms. Most of the patients present with mild symptoms, but patients with severe croup require intensive care unit (ICU) management. The aim of this study was to investigate the airway management of patients with severe croup who required intubation and determine the risk factors for prolonged intubation. We performed an 18-year retrospective observational cohort study at the pediatric ICU of a tertiary children's hospital in Japan. A total of 16 patients with croup who were intubated for upper airway obstruction were included in the study. Most patients (13of 16, 81%) were intubated with an endotracheal tube (ETT) smaller than their age-appropriate size. The median difference in the internal diameter (ID) between the selected ETT and the age-appropriate size was 1.0 mm (interquartile range: 0.5–1.0). Multivariate analysis performed on factors affecting the cumulative incidence of extubation revealed that the difference in ID between the selected ETT and age-appropriate size (mm) significantly reduced the duration of intubation (hazard ratio: 0.092, p = 0.03). A downsized ETT without a cuff may be recommended for intubation of patients with croup.
Progressive Pseudorheumatoid Dysplasia of Childhood (PPRD)—A Case Series with Recurrent c.740_741del Variant
Authors: Nilay Mayank , Rawool Anup , Mandal Kausik
Published: October 2021

Progressive pseudorheumatoid dysplasia (PPRD) is an autosomal recessive arthropathy, affecting school-aged children. It is characterized by progressive degeneration of the articular cartilage. The majority of the pathogenic variations are found in exon 2, exon 4, and exon 5 of the putative gene, CCN6 (WISP3). Three unrelated individuals with clinical diagnosis of PPD were included in this study. Detailed clinicoradiological evaluation was attempted with brief literature review. Exome sequencing was performed in all three cases. All the pathogenic variations detected in our cohort were located in exons 2 and 4 of WISP3 gene. Though the clinicoradiological features are already well described, this study in north India highlights the occurrence of a recurring pathogenic variant. The c.740_741del variant was a recurrent pathogenic variant seen in all three patients in this cohort. This may be a common pathogenic variant in the North Indian population; however, a larger cohort needs to be studied before drawing final conclusions. A proper molecular diagnosis is a must to end the diagnostic odyssey, safeguarding patients with PPRD from unnecessary use of drugs like corticosteroids.
Recent advances of dynamic molecular crystals with light-triggered macro-movements
Authors: Zhou Bo , Yan Dongpeng
Published: October 2021

Dynamic molecular crystals showing light-triggered macro-movements have attracted great attention due to their unique ability for light–force conversion. These molecular crystals are driven remotely without any intermediary devices like wires and motors, which can transform light energy into mechanical work directly. However, the limited space restricts molecular rotation and motion in the crystalline state; thus, realizing macro-movements in molecular crystal systems is still a formidable challenge. In this review, we aim to focus on the underlying working mechanism of the photo-controllable macroscopic motion of molecular crystals with special focus on their practical applications. In detail, we discuss the basic principles and macroscopic photomechanical effects of these dynamic molecular crystals, including their deformation (i.e., bending, twisting, curling); complex motion (i.e., crawling, rotating, rolling); and disintegration (i.e., photosalient effect). Then, we introduce the most promising applications of photomechanical molecular crystals in the fields of all-optical devices, crystal actuators, and biomimetic artificial muscles. Therefore, this review will provide inspiration to develop state-of-the-art dynamic molecular crystals by bridging the disciplines of physics, chemistry, and engineering science.
High density molecular jets of complex neutral organic molecules with Tesla valves
Authors: Shaikh Moniruzzaman , Liu Xinyao , Amini Kasra , Steinle Tobias , Biegert Jens
Published: October 2021

Supersonic jets of gas-phase atoms and small molecules have enabled a variety of ultrafast and ultracold chemical studies. However, extension to larger, more complex neutral molecules proves challenging for two reasons: (i) Complex molecules, such as cis-stilbene, exist in a liquid or solid phase at room temperature and ambient pressure and (ii) a unidirectional flow of high-density gaseous beams of such molecules to the interaction region is required. No delivery system currently exists that can deliver dense enough molecular jets of neutral complex molecules without ionizing or exciting the target for use in gas-phase structural dynamics studies. Here, we present a novel delivery system utilizing Tesla valves, which generates more than an order-of-magnitude denser gaseous beam of molecules compared to a bubbler without Tesla valves at the interaction region by ensuring a fast unidirectional flow of the gaseous sample. We present combined experimental and flow simulations of the Tesla valve setup. Our results open new possibilities of studying large complex neutral molecules in the gas-phase with low vapor pressures in future ultrafast and ultracold studies.
On the analysis of magnetohydrodynamics and magnetic field-dependent viscosity effects on thermogravitational convection of hybrid nanofluid in an enclosure with curved walls
Authors: Pandit Swapan K. , Goswami Krishno D. , Chattopadhyay Anirban , Öztop Hakan F.
Published: October 2021

This work deals with the impact of magnetic field-dependent viscosity and magnetohydrodynamics on the natural convection heat transfer of Ag–MgO (50%–50%) water hybrid nanoliquid in a complicated enclosure. The considered cavity with concave or convex horizontal boundaries has been differentially heated and cooled by multiple heat sources and heat sinks. The governing equations (Navier–Stokes equations) constituting stream function (ψ)-vorticity (ζ) formulation with energy equation are solved by adopting a compact finite difference scheme. Meanwhile, the flow domain that is influenced by several factors including Hartmann number (0≤Ha≤60), hybrid nanoparticles volume fraction (0≤ϕhnp≤0.02), Rayleigh number (103≤Ra≤106), orientation angle of magnetic field (00≤γ≤900), magnetic number (0≤δ0≤1), different cases (Case-I to III), and internal heat generation or absorption (−2≤Q≤2) is analyzed generously. Experimentally based correlations for thermal conductivity and dynamic viscosity have been used throughout the study. The outcomes show that the geometric parameters can be used as an excellent controller of the thermal performance inside the wavy chamber.
Scaling of silicon nanoparticle growth in low temperature flowing plasmas
Authors: Lanham Steven J. , Polito Jordyn , Shi Xuetao , Elvati Paolo , Violi Angela , Kushner Mark J.
Published: October 2021

Low temperature plasmas are an emerging method to synthesize high quality nanoparticles (NPs). An established and successful technique to produce NPs is using a capacitively coupled plasma (CCP) in cylindrical geometry. Although a robust synthesis technique, optimizing or specifying NP properties using CCPs, is challenging. In this paper, results from a computational investigation for the growth of silicon NPs in flowing inductively coupled plasmas (ICPs) using Ar/SiH4 gas mixtures of up to a few Torr are discussed. ICPs produce more locally constrained and quiescent plasma potentials. These positive plasma potentials produce an electrostatic trap for negatively charged NPs, which can significantly extend the residence time of NPs in the plasma, which in turn provides a controllable period for particle growth. The computational platforms used in this study consist of a two-dimensional plasma hydrodynamics model, a three-dimensional nanoparticle growth and trajectory tracking model, and a molecular dynamics simulation for deriving reactive sticking coefficients of silane radicals on Si NPs. Trends for the nanoparticle growth as a function of SiH4 inlet fraction, gas residence time, energy deposition per particle, pressure, and reactor diameter are discussed. The general path for particle synthesis is the trapping of small NPs in the positive electrostatic potential, followed by entrainment in the gas flow upon reaching a critical particle size. Optimizing or controlling NP synthesis then depends on the spatial distribution of plasma potential, the density of growth species, and the relative time that particles spend in the electrostatic trap and flowing through higher densities of growth species upon leaving the trap.
Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulations
Authors: Saravi Sina Hassanjani , Panagiotopoulos Athanassios Z.
Published: October 2021

We obtain activity coefficients in NaCl and KCl solutions from implicit-water molecular dynamics simulations, at 298.15 K and 1 bar, using two distinct approaches. In the first approach, we consider ions in a continuum with constant relative permittivity (ɛr) equal to that of pure water; in the other approach, we take into account the concentration-dependence of ɛr, as obtained from explicit-water simulations. Individual ion activity coefficients (IIACs) are calculated using gradual insertion of single ions with uniform neutralizing backgrounds to ensure electroneutrality. Mean ionic activity coefficients (MIACs) obtained from the corresponding IIACs in simulations with constant ɛr show reasonable agreement with experimental data for both salts. Surprisingly, large systematic negative deviations are observed for both IIACs and MIACs in simulations with concentration-dependent ɛr. Our results suggest that the absence of hydration structure in implicit-water simulations cannot be compensated by correcting for the concentration-dependence of the relative permittivity ɛr. Moreover, even in simulations with constant ɛr for which the calculated MIACs are reasonable, the relative positioning of IIACs of anions and cations is incorrect for NaCl. We conclude that there are severe inherent limitations associated with implicit-water simulations in providing accurate activities of aqueous electrolytes, a finding with direct relevance to the development of electrolyte theories and to the use and interpretation of implicit-solvent simulations.
Photonics-inspired terahertz whispering gallery mode resonator waveguide on silicon platform
Authors: Zhou Shuyu , Tu Xuecou , Wu Qiangqiang , Liu Mengxin , Zhang Yichen , Chen Pengfei , Wang Wohu , Xu Yucheng , Deng Jianqin , Zhao Qingyuan , Jia Xiaoqing , Zhang Labao , Kang Lin , Chen Jian , Wu Peiheng
Published: October 2021

Terahertz (THz) photonic waveguides are of great importance in THz integrated technology, especially for versatile signal processing. However, in THz photonics, very few fundamental “building blocks” equivalent to those used in muti-functional electronics circuits exist. This study proposes a photonics-inspired micro-ring whispering gallery mode resonator (WGMR) waveguide with a standard waveguide-compatible package on silicon platform. A gradual taper is integrated on the same chip to improve the coupling efficiency and reduce transmission loss. The packaged WGMR waveguide with an operating range of 0.360 to 0.440 THz had a maximum measured extinction ratio of 32 dB at 0.390 THz, with a Q factor of 385 and an insertion loss of 2.6 dB. The compact and standard waveguide-compatible packaged WGMR can easily be integrated into practical terahertz application systems for THz signal processing and as a tool for the study of fundamental THz science.
Energy storage properties in a Bi(Mg1/2Ti1/2)O3 modified BiFeO3-Sr0.7Bi0.2TiO3 film
Authors: Han Yajie , Jiao Peijie , Yang Yurong , Wu Di
Published: October 2021

High-performance dielectric capacitor represents an emerging technological goal for energy storage in modern electrical and electronic systems. In this work, we report a lead-free film capacitor based on the Bi(Mg1/2Ti1/2)O3 modified BiFeO3-Sr0.7Bi0.2TiO3 relaxor. A large recoverable energy storage density of 77.5 J/cm3, together with an efficiency of 56.1% is achieved in the film with 15 mol. % Bi(Mg1/2Ti1/2)O3 in composition. The film also exhibits excellent fatigue endurance with a reduction less than 3% over 1 × 108 cycles in both recoverable energy storage density and efficiency. Such good properties are ascribed to the improved electrical insulation and breakdown strength and the enhanced relaxor behavior by introducing the bismuth-based perovskite-like compound.
An inverse averaging finite element method for solving three-dimensional Poisson–Nernst–Planck equations in nanopore system simulations
Authors: Zhang Qianru , Wang Qin , Zhang Linbo , Lu Benzhuo
Published: October 2021

The Poisson–Nernst–Planck (PNP) model plays an important role in simulating nanopore systems. In nanopore simulations, the large-size nanopore system and convection-domination Nernst–Planck (NP) equations will bring convergence difficulties and numerical instability problems. Therefore, we propose an improved finite element method (FEM) with an inverse averaging technique to solve the three-dimensional PNP model, named inverse averaging FEM (IAFEM). At first, the Slotboom variables are introduced aiming at transforming non-symmetric NP equations into self-adjoint second-order elliptic equations with exponentially behaved coefficients. Then, these exponential coefficients are approximated with their harmonic averages, which are calculated with an inverse averaging technique on every edge of each tetrahedral element in the grid. Our scheme shows good convergence when simulating single or porous nanopore systems. In addition, it is still stable when the NP equations are convection domination. Our method can also guarantee the conservation of computed currents well, which is the advantage that many stabilization schemes do not possess. Our numerical experiments on benchmark problems verify the accuracy and robustness of our scheme. The numerical results also show that the method performs better than the standard FEM when dealing with convection-domination problems. A successful simulation combined with realistic chemical experiments is also presented to illustrate that the IAFEM is still effective for three-dimensional interconnected nanopore systems.
Breakup regimes of double emulsion droplets in a microfluidic Y-junction
Authors: Liu Zhaomiao , Li Dezhi , Wang Xiang , Pang Yan , Ma Yilin , Li Mengqi , Wang Ju
Published: October 2021

The droplet breakup technology can effectively increase the generation throughput and adjust the droplets size, which has an important impact on the performance of the double emulsion droplets in medical, chemical, and other applications. This work presents an experimental study on the breakup regimes of double emulsion droplets after their on-chip generation. Five distinct breakup regimes are categorized according to the breakup times and the existence of the coupling effect during breakup process. Evolutions of the neck widths and thinning rates of both inner droplets and outer droplets are provided to discuss the dynamics of different regimes as well as different stages. In particular, the influences of the coupling effect on the interfacial evolution, collapsing mechanism, force analysis, and breakup critical condition are confirmed by comparisons with the results of single emulsion droplets.
Reducing surface depletion of superconducting SrTiO3 films with EuTiO3 capping layers
Authors: Jeong Hanbyeol , Combs Nicholas G. , Munyan Simon , Rashidi Arman , Stemmer Susanne
Published: October 2021

Doped SrTiO3 thin films are of significant scientific interest for their superconducting, ferroelectric, and thermoelectric properties. Air-exposed thin films of doped SrTiO3 suffer from surface carrier depletion that makes it difficult to obtain thin, conducting films, especially at low doping densities and temperatures. Here, we show that thin (10 nm) EuTiO3 capping layers can prevent surface depletion and allow for conducting heterostructures with SrTiO3 films as thin as 10 nm. We also investigate the superconducting properties of EuTiO3 capped SrTiO3 films. We show that the superconducting transition temperature decreases systematically as the SrTiO3 film thickness is reduced, which is likely due to proximity effects.
Multifunctional reflected lenses based on aperiodic acoustic metagratings
Authors: Lu Yu-jing , Zou Hong-yu , Qian Jiao , Wang Yin , Ge Yong , Yuan Shou-qi , Sun Hong-xiang , Liu Xiao-jun
Published: October 2021

Acoustic metagratings (AMs) have provided diverse routes for sound modulations based on high-efficiency diffractions created by periodic supercell structures. The emergence of the extension of the generalized Snell's law (GSL), covering both acoustic diffractions and phase modulations, has promoted the design of the AMs with aperiodic phase profiles, which have a great potential in designing high-performance multifunctional devices. However, the realization of reflected aperiodic AMs and its associated multifunctional devices remain a challenge. To overcome this, we here theoretically design and experimentally demonstrate a class of reflected aperiodic AMs and multifunctional acoustic lenses. By using the extension of the GSL, we can overcome the limitations of the GSL (such as the phase gradient and the incident critical angle) and experimentally demonstrate theoretical predictions of sound reflections created by the aperiodic AMs with arbitrary phase gradients under a full-angle incidence. Additionally, we experimentally design a multifunctional reflected lens composed of two selected aperiodic AMs. Interestingly, by simply adjusting the incident angle of sound, we can realize the transformation between the beam splitting and the Bessel-like beam without changing the structure of the lens. Our work paves a way for modulating sound reflections and designing reflected multifunctional devices with promising applications.
Giant negative thermal expansion of polycrystalline Ti2O3 induced by microstructural effects
Authors: Kadowaki Y. , Kasugai R. , Yokoyama Y. , Katayama N. , Okamoto Y. , Takenaka K.
Published: October 2021

Discovery of giant negative thermal expansion (NTE) of Ti2O3 is reported herein. Ti2O3 undergoes a phase transition from a low-temperature (low-T) insulating state to a high-T metallic state gradually at temperatures of 400–600 K, accompanied by highly anisotropic thermal deformation of the crystallographic unit cell. This anisotropic deformation induces large bulk NTE in the sintered body, although the unit-cell volume estimated from diffraction experiments shows positive thermal expansion in this T range. Results of this study also demonstrate that partial replacement of Ti with Nb increases the total volume change related to bulk NTE and show that it lowers the operating-T range of NTE to include room temperature. The development of NTE materials particularly addressing such microstructural effects is effective and promising.
Threshold behavior in spin lasers: Spontaneous emission and nonlinear gain
Authors: Xu Gaofeng , Patel Krish , Žutić Igor
Published: October 2021

A hallmark of spin-lasers, injected with spin-polarized carriers, is their threshold behavior with the onset of stimulated emission. Unlike the single threshold in conventional lasers with unpolarized carriers, two thresholds are expected in spin lasers. With the progress in scaled-down lasers and the use of novel two-dimensional materials, it is unclear if the common description of spin lasers assuming negligible spontaneous emission and a linear optical gain remains relevant or even how to identify the lasing thresholds. Our rate-equation description addresses these questions by considering large spontaneous emission and a nonlinear optical gain. We provide a transparent approach and analytical results to explore the resulting threshold behavior, its deviation from the prior studies, as well as guide future spin-lasers as a versatile platform for spintronics beyond magnetoresistance.
Toward efficient photochemistry from upper excited electronic states: Detection of long S2 lifetime of perylene
Authors: Ni Wenjun , Gurzadyan Gagik G. , Sun Licheng , Gelin Maxim F.
Published: October 2021

A long 0.9 ps lifetime of the upper excited singlet state in perylene is resolved by femtosecond pump–probe measurements under ultraviolet (4.96 eV) excitation and further validated by theoretical simulations of transient absorption kinetics. This finding prompts exploration and development of novel perylene-based materials for upper excited state photochemistry applications.
Design, fabrication and implementation of a high-performance compliant nanopositioner via 3D printing with continuous fiber-reinforced composite
Authors: Cui Mengjia , Shang Erwei , Jiang Shouqian , Liu Yu , Zhang Zhen
Published: October 2021

Nanopositioning systems have been widely applied in scientific and emerging industrial applications. With simplicity in design and operation, flexure bearings with spatial constraints and voice coil based nano-actuators are considered in designing compliant compact nanopositioning systems. To achieve nano-metric positioning quality, monolithic fabrication of the positioner is preferred, which calls for 3D printing fabrication. However, conventional plastic material-based 3D printing suffers from low mechanical performances, and it is challenging to monolithically fabricate 3D compliant mechanisms with high mechanical performances. Here, we study the fabrication of continuous carbon fiber reinforced composites by 3D printing of the double parallelogram flexure beam structures for spatial constrained nanopositioner with enhanced vertical stiffness. Also, with the consideration of the beam structure design, the process parameters for embedding the carbon fibers are optimized to enhance the beam strengths. Experimental results demonstrate a significant performance improvement with the composite based nanopositioner in both stiffness and natural frequency, and its positioning resolution of 30 nm is achieved. The result of this study will serve as the building block to apply advanced 3D printing of composite structure for precision engineering in the presence of more complex spatial structures.
Magnetic position sensors
Authors: Ripka Pavel , Mirzaei Mehran , Blažek Josef
Published: October 2021

Magnetic position sensors are popular in industrial and automotive applications since they are robust, resistant to dust and oil, and can be cheap. This was traditionally accompanied by low accuracy. However, new precise magnetic position sensors have been developed which can achieve 0.015% error and 10 nm resolution. The maximum achievable range is about 20 m. DC magnetic position sensors use a permanent magnet as a field source; a magnetic field sensor measures the field from that source, which is a function of distance. As a field sensor, magnetoresistors are often used instead of traditional Hall sensors. Eddy current position sensors also work with non-magnetic conduction targets. Magnetostrictive position sensors are based on the time of flight of the elastic waves excited in the magnetostrictive material. These sensors can be several meters long and their applications range from level meters to hydraulics. Magnetic trackers and long-range position sensors utilize AC field sources, which are detectable from distances up to 20 m. Compared to optical instruments, magnetic trackers do not need a direct view. Their applications include surgery, mixed reality, and underground and underwater navigation.
The interplay of policy and energy retrofit decision-making for real estate decarbonization
Authors: Petkov Ivalin , Knoeri Christof , Hoffmann Volker H
Published: October 2021

Retrofitting existing buildings is critical for meeting global and institutional net-zero CO2 emissions goals. Prominent energy and climate policy strategies are aiming to increase notoriously low retrofitting rates by triggering energy efficient and/or decarbonized real estate investments. Although many real estate assets are owned by large-scale investors (LSIs), the interplay of their retrofit decision-making and policies are under researched. Relying on interviews with four major owner types, industry experts, and policymakers, we unpack the ‘black box’ of retrofit investment and demonstrate how LSIs can transform retrofit decision-making processes to meet emissions goals. We show that to accelerate deep retrofits, policymakers should focus on integrated policy mixes, and consider the cross-impacts of policy instruments from various domains on the value-driven retrofitting decision. Instruments indirectly influencing retrofits, such as those targeting affordability or densification, represent a critical avenue for improving the retrofitting policy mix by moving away from single instruments directly targeting energy or emissions aspects. This policy mix should specifically target asset management budgetary decisions, which mainly drive investment planning relevant for deep retrofits.
Use of Low-Cost Particle Counters for Cotton Dust Exposure Assessment in Textile Mills in Low- and Middle-Income Countries
Authors: Nafees Asaad Ahmed , Iqbal Abdul Rehman , Cullinan Paul , De Matteis Sara , Burney Peter , Semple Sean
Published: October 2021

Objective

There is a lack of consensus on methods for cotton dust measurement in the textile industry, and techniques vary between countries—relying mostly on cumbersome, traditional approaches. We undertook comparisons of standard, gravimetric methods with low-cost optical particle counters for personal and area dust measurements in textile mills in Pakistan.

Methods

We included male textile workers from the weaving sections of seven cotton mills in Karachi. We used the Institute of Occupational Medicine (IOM) sampler with a Casella Apex 2 standard pump and the Purple Air (PA-II-SD) for measuring personal exposures to inhalable airborne particles (n = 31). We used the Dylos DC1700 particle counter, in addition to the two above, for area-level measurements (n = 29).

Results

There were no significant correlations between the IOM and PA for personal dust measurements using the original (r = −0.15, P = 0.4) or log-transformed data (r = −0.32, P = 0.07). Similarly, there were no significant correlations when comparing the IOM with either of the particle counters (PA and Dylos) for area dust measurements, using the original (r = −0.07, P = 0.7; r = 0.10, P = 0.6) or log-transformed data (r = −0.09, P = 0.6; r = 0.07, P = 0.7).

Conclusion

Our findings show a lack of correlation between the gravimetric method and the use of particle counters in both personal and area measurements of cotton dust, precluding their use for measuring occupational exposures to airborne dust in textile mills. There continues to be a need to develop low-cost instruments to help textile industries in low- and middle-income countries to perform cotton dust exposure assessment.
Case Report of Idiopathic Masseteric Hypoplasia Treated With Polymethyl Methacrylate-Collagen Gel
Authors: Windle Brian
Published: October 2021

Congenital hypoplasia of the masseter muscle is a rare condition most commonly associated with craniofacial or poly-malformation syndromes, with a small number of reported idiopathic cases. The condition is most commonly managed by orthodonture and later surgical intervention; however, surgery is not an option for all patients. Nonsurgical approaches to correcting asymmetry may be considered for patients for whom the functional impact of hypoplasia has been largely managed and the patient’s concern is primarily aesthetic. In this case study, the patient presented for a consultation seeking a nonsurgical solution for marked facial asymmetry. The patient underwent physical examination and magnetic resonance imaging to confirm diagnosis of congenital masseter muscle hypoplasia. To treat the asymmetry, a total of 9.6 cc of polymethyl methacrylate (PMMA)-collagen gel (Bellafill; Suneva Medical, Inc., San Diego, CA) was injected along the border of the mandible from the gonial angle out to the area of the mental foramen and slightly above over the course of 6 months (2 visits spaced 3 months apart) to provide long-term, nonsurgical correction. The patient was very satisfied with the results, highlighting the potential for PMMA-collagen gel to be used in clinical situations in which durable, nonsurgical correction of lower-face asymmetry is needed.

Level of Evidence: 5
Bowel decontamination before colonic and rectal surgery
Authors: Pellino Gianluca , Espín-Basany Eloy
Published: October 2021

Several strategies are available to reduce adverse events after colonic and rectal surgery. Oral and intravenous antibiotics have proven efficacy in reducing surgical-site infections, and might be beneficial against anastomotic leaks. The role of mechanical bowel preparation needs further elucidation.
Acute abdomen as a side-effect of sodium–glucose co-transporter 2 inhibitors in diabetic patients
Authors: Kietaibl Antonia-Therese , Fasching Peter , Glaser Karl , Petter-Puchner Alexander H
Published: October 2021

This multidisciplinary article gives a brief overview of the literature about sodium–glucose co-transporter 2 inhibitor-induced ketoacidosis in the surgical and perioperative context.