bluuebunny/crossref_metadata_2025 huggingface dataset:
Homonyms and synonyms in the Dictionary of Interfaces in Proteins (DIP).
Authors: Preissner R , Goede A , Fr√∂mmel C
Published: July 2002

MOTIVATION: Should reports on molecular mimicry in particular cases, e.g. responsible for cross-reactivity, be considered as accidental or as a general principle in protein evolution? To answer this question, two types of similarity have to be considered: those in homologues (synonyms) and resemblance between patches from unrelated proteins (homonyms). RESULTS: All interfaces from known protein structures were collected in a comprehensive data bank [Dictionary of Interfaces in Proteins (DIP)]. A fast, sequence-independent, three-dimensional superposition procedure was developed to search automatically for geometrically similar surface areas. Surprisingly, we found a large number of structurally similar interfaces on the surface of unrelated proteins. Even patches from different types of secondary structure were found resembling each other. The putative functional meaning of homonyms is demonstrated with striking examples.
Wrapping SRS with CORBA: from textual data to distributed objects.
Authors: Coupaye T
Published: July 2002

MOTIVATION: Biological data come in very different shapes. Databanks are maintained and used by distinct organizations. Text is the de facto Standard exchange format. The SRS system can integrate heterogeneous textual databanks but it was lacking a way to structure the extracted data. RESULTS: This paper presents a CORBA interface to the SRS system which manages databanks in a flat file format. SRS Object Servers are CORBA wrappers for SRS. They allow client applications (visualisation tools, data mining tools, etc.) to access and query SRS servers remotely through an Object Request Broker (ORB). They provide loader objects that contain the information extracted from the databanks by SRS. Loader objects are not hard-coded but generated in a flexible way by using loader specifications which allow SRS administrators to package data coming from distinct databanks. AVAILABILITY: The prototype may be available for beta-testing. Please contact the SRS group (http://srs.ebi.ac.uk).
Interactive data input into the GeneNet database.
Authors: Kolpakov F A , Ananko E A
Published: July 2002

SUMMARY: The GeneNet database has been developed for a formalized hierarchical description of the gene networks. To provide rapid data accumulation in the database, the Java graphical interface for data input through the Internet by independent experts equipped with convenient visual tools is developed. AVAILABILITY: http://wwwmgs. bionet.nsc.ru/systems/MGL/GeneNet/
Ciprofloxacin concentrations in lung tissue following a single 400 mg intravenous dose
Authors: Birmingham Mary C. , Guarino Ross , Heller Allen , Wilton John H. , Shah Anita , Hejmanowski Linda , Nix David E. , Schentag Jerome J.
Published: July 2002

Intravenous ciprofloxacin is frequently prescribed for the treatment of infections due to nosocomially acquired Gram-negative organisms, including those originating in the respiratory tract. In this study, the concentrations of ciprofloxacin in serum and lung tissue were determined by HPLC in patients undergoing lung surgery. A total of 22 patients scheduled for lung surgery received a single 400 mg iv dose of ciprofloxacin administered as a 1 h infusion. A specimen of healthy lung tissue was obtained from resected lung from 18 of the patients for analysis of ciprofloxacin concentration during the following time intervals after infusion (one sample/patient): 0- 2, 2- 4, 4- 8 and 8- 12 h. Corresponding mean serum and tissue concentrations were 2.37 mg/L and 3.84 mg/kg (0- 2 h), 1.18 mg/L and 1.92 mg/kg (2- 4 h), 0.69 mg/L and 1.77 mg/kg (4- 8 h), and 0.13 mg/L and 0.67 mg/kg (8- 12 h). Ciprofloxacin distributed rapidly to lung tissue, as seen by the high concentrations in the lung tissue as early as 2 h after infusion. Concentrations in lung tissue were generally higher than those in serum (tissue:serum ratios ranged from 1.7 to 7.1). The mean tissue concentrations found in this study remained above the MIC for most susceptible organisms.
Origin of fibronectin type II (FN2) modules: Structural analyses of distantly‐related members of the kringle family idey the kringle domain of neurotrypsin as a potential link between FN2 domains and kringles
Authors: Ozhogina Olga A. , Trexler Mária , Bányai László , Llinás Miguel , Patthy László
Published: July 2002

Analysis of complete genome sequences has made it clear that fibronectin type II (FN2) modules are present only in the vertebrate lineage, raising intriguing questions about the origin of this module type. Kringle domains display many similarities to FN2 domains; therefore it was suggested previously that they are highly divergent descendants of the same ancestral protein‐fold. Since kringles are present in arthropodes, nematodes, and invertebrate chordates as well as in vertebrates, it is suggested that the FN2 domain arose in the vertebrate lineage through major structural modification of the more ancestral kringle fold. To explore this structural transition, in the present work we compare key structural features of two highly divergent kringle domains (the kringle of Caenorhabditis elegans Ror receptor tyrosine kinase and the kringle of rat neurotrypsin) with those of plasminogen kringles and FN2 domains. Our NMR conformation fingerprinting analysis indicates that characteristic 1H‐NMR markers of kringle or FN2 native folding, such as the dispersion of Trp aromatic connectivities and shifts of the Leu46/Thr16 methyl signals, both decrease in the order kringles > neurotrypsin kringle > FN2 domains. These results suggest that the neurotrypsin kringle may represent an intermediate form between typical kringles and FN2 domains.
Women’s responses to an activity-based introductory physics program
Authors: Laws Priscilla W. , Rosborough Pamela J. , Poodry Frances J.
Published: July 2002

It has been said that women ought to like science courses that are hands-on, collaborative, and afford a high degree of personal attention. In this article we examine this assumption by considering some women’s responses to Workshop Physics—a calculus-based introductory course sequence in which lectures are abandoned in favor of activity-based collaborative work enhanced by the use of integrated computer tools. Early in the development of the Workshop curriculum an attitude survey revealed that pre-medical junior and senior women were more negative about their experience than either their male counterparts or freshmen and sophomore students. We explored reasons for this phenomenon by interviewing a group of women who had enrolled in Workshop Physics courses.
Experimental study of sound propagation in a chain of spherical beads
Authors: de Billy M.
Published: July 2002

In this paper are described experimental observations which are concerned by the propagation of pulsed ultrasonic waves transmitted through a limited one dimensional periodic granular medium submitted to a static force. This study—which is limited to a time domain analysis—exhibits experimental results which depend on the polarization of the acoustic excitation. In the case of compressional excitation, spherical Rayleigh type surface waves propagate around the beads. In the case of shear excitation, the experimental recordings point out the existence of a very low signal, the frequency of which is equal to the cut-off frequency of the chain. Moreover it is established that the frequency value varies with the radius of the bead, the normal force applied to the beads, and the mechanical properties of the material.
A hexahedral face element for elastoacoustic vibration problems
Authors: Bermúdez Alfredo , Gamallo Pablo , Rodrı́guez Rodolfo
Published: July 2002

A finite-element method to compute elastoacoustic vibration modes in 3D problems is analyzed. It is based on displacement formulations for solid and fluid. The discretization consists of classical isoparametric hexahedral elements for the former and hexahedral Raviart–Thomas elements for the latter, to avoid spurious modes. The meshes on fluid and solid domains do not need to coincide on the common interface, since the kinematic constraint is weakly imposed. The generalized eigenvalue problem is written in a matrix form which allows using a standard MATLAB eigensolver. Numerical results showing the good performance of the method and the convenience of using incompatible meshes are reported.
Stationary velocity and pressure gradients in a thermoacoustic stack
Authors: Waxler Roger
Published: July 2002

The second-order time-averaged acoustics of a viscous, thermally conducting gas between closely spaced parallel plates is studied. The acoustic disturbance is studied by expanding the equations of fluid dynamics and heat transfer to second order in Mach number. The undisturbed state is allowed to have a nonzero temperature gradient. A set of coupled equations for the time-averaged pressure gradient, velocity, and temperature are obtained and solved. Particular attention is paid to the relation between the time-averaged mass flux and pressure gradient. An explicit expression is obtained relating the time-averaged pressure drop across a thermoacoustic stack to the time-averaged mass flux through the stack.
The middle ear of a lion: Comparison of structure and function to domestic cat
Authors: Huang Gregory T. , Rosowski John J. , Flandermeyer Deborah T. , Lynch Thomas J. , Peake William T.
Published: July 2002

Acoustic and anatomical measurements were made on the middle ear of a deceased lion and compared with measurements from the domestic cat. The acoustic input impedance and sound-transmission ratios measured in the two species have similar features but differ quantitatively. Three-dimensional anatomical reconstructions show that the middle-ear structures of the lion and cat are similarly arranged but have large differences in absolute and relative size. In all felids, a bony septum divides the middle-ear air space into two cavities that are coupled through a small opening. A six-element analog-circuit model based on this distinctive structure captures the main features of both sets of middle-ear frequency responses, except at high frequencies. The element values are consistent with the structural dimensions of the cavities. The results suggest that quantitative measures of middle-ear cavity structure could allow prediction of frequency-dependent features of acoustic sensitivity for the entire cat family.
Efferent projections of a physiologically characterized region of the inferior colliculus of the young adult CBA mouse
Authors: Frisina Robert D. , Walton Joseph P. , Lynch-Armour Martha A. , Klotz Darrel A.
Published: July 2002

The present investigation is part of an ongoing series of studies aimed at discerning the neural bases of presbycusis. Presbycusis is a sensory perceptual disorder involving loss of high-pitch hearing and reduced ability to process biologically relevant acoustic signals in noisy environments. The purpose of the present experiment was to delineate the efferent projections of a functionally characterized region of the dorsomedial inferior colliculus (IC, auditory midbrain) in young, adult CBA mice. The CBA strain’s progressive loss of hearing over its lifespan approximates many aspects of the mild-to-moderate hearing loss experienced by a significant number of humans suffering from presbycusis. Focal, iontophoretic injections of HRP were made in the 18–24 kHz region of dorsomedial IC of the CBA strain following physiological mapping experiments. Serial sections were reacted with a chromagen, counterstained and examined for anterogradely labeled fibers and boutons. Efferent projections were observed ipsilaterally in: medial and ventral divisions of the medial geniculate body (MGB); middle layers of the superior colliculus; central gray; and external nucleus (E), dorsal cortex (DC) and central nucleus of IC. Contralaterally, labeled fibers and boutons were seen in the IC at a location homologous to the injection site, as well as in E and DC. A small projection was noted in contralateral MGB. These findings in young, adult mice with normal hearing can now serve as a baseline for similar experiments being conducted in mice and animals of other species of older ages and with varying degrees of hearing loss.
A dynamic model of outer hair cell motility including intracellular and extracellular fluid viscosity
Authors: Tolomeo J. A. , Steele C. R.
Published: July 2002

The deformation response of a guinea pig outer hair cell is modeled for mechanical and electrical stimulation up to 25 kHz. The analysis uses a Fourier series technique for a finite length cell surrounded internally and externally by a much larger continuum of viscous fluid. The analytical solution predicts that outer hair cell length changes occur due to applied mechanical or electrical stimulation without significant resonance, characteristic of a highly damped system. The deformation is found to have little attenuation up to a corner frequency of about 2 kHz for long cells and 10 kHz for short cells, in agreement with published experimental results. For electrical loading of 1 mV across the lateral cell wall, deformation for short cells is calculated to be greater than 1 nm for frequencies up to 20 kHz. These results support the proposition that in vivo the outer hair cell modifies the character of basilar membrane deformation on a cycle-by-cycle basis. An estimate of the capability of the cell to supply energy to the basilar membrane is given based on published values of outer hair cell material properties.
A tonpilz projector for use in an underwater horn
Authors: Moffett Mark B. , Powers James M. , Jevnager Michael D.
Published: July 2002

Tonpilz transducer head piston diameters are usually about one-half wavelength in diameter, so that “ρ-c” radiation loading will be approximately achieved. However, for this underwater tracking application, the transducer is required to fit inside the throat of a 360-degree horn. The piston diameter is limited to 1 in. (25 mm), or about 0.22 wavelength at the resonance frequency, 13 kHz. The design is based on a lumped-element model. The lead zironate-titanate (PZT-8) ring stack is 2.1 in. (53 mm) long with an outer diameter of 0.49 in. (12.5 mm) and an inner diameter of 0.24 in. (6.0 mm). The head mass is 0.25-in. (0.635-mm)-thick aluminum, and the tail mass is wolfram (tungsten), with a mass of 93 g. The transducer is isolated from its cylindrical housing with a syntactic foam spring. An O-ring piston seal is used, and a similar O-ring provides support for the tail mass. The results of free-field measurements are used to determine the parameters of a lumped-parameter equivalent circuit model, which is then used to predict the performance after installation in the horn.
High-efficiency 2-kW thermoacoustic driver
Authors: Smith Robert W. M. , Keolian Robert M. , Garrett Steven , Corey John
Published: July 2002

A moving-magnet electrodynamic driver will be described which is intended to maintain an acoustic resonance within a thermoacoustic air conditioner containing an inert gas mixture of helium and argon at 30 bar. It is energized by a linear motor with a Bl-product of 41 N/A and a coil resistance of 0.24 Ω. An auxiliary spring system augments the magnetic stiffness (154 kN/m) to provide a driver mechanical resonance frequency near 60 Hz. An Inconel bellows forms a flexure seal which provides an effective piston area that maximizes electroacoustic conversion efficiency by making the Joule heating losses in the coil equal to the mechanical dissipation in the magnetic suspension. The driver’s electroacoustic conversion efficiency is predicted to be in excess of 83%. [Work supported by the Office of Naval Research.]
Three-dimensional tongue surface reconstruction: Practical considerations for ultrasound data
Authors: Lundberg Andrew J. , Stone Maureen
Published: July 2002

This paper discusses methods for reconstructing the tongue from sparse data sets. Sixty ultrasound slices already have been used to reconstruct three-dimensional (3D) tongue surface shapes [Stone and Lundberg, J. Acoust. Soc. Am. 99, 3728–3737 (1996)]. To reconstruct 3D surfaces, particularly in motion, collecting 60 slices would be impractical, and possibly unnecessary. The goal of this study was to select a sparse set of slices that would best reconstruct the 18 measured speech sounds. First a coronal sparse set was calculated from 3D surface reconstructions. Selection of contours was globally optimized using coarse to fine search. Sparse and dense reconstructions were compared using maximum error, standard deviation error, and surface coverage. For all speech sounds, maximum error was less than 1.5 mm, standard deviation error was less than 0.32 mm, and average reconstruction coverage was 80%. To generalize the method across subjects, optimal slice locations were calculated from only the midsagittal contour. Six midsagittal points were optimized to reconstruct the midsagittal contour. Corresponding coronal slices were then used to reconstruct 3D surfaces. For data collection planning, a midsagittal sample can be collected first and optimal coronal slices can be determined from it. Errors and reconstruction coverage from the midsagittal source set were comparable to the optimized coronal sparse set. These sparse surfaces reconstructed static 3D surfaces, and should be usable for motion sequences as well.
Transient Lamb waves: Comparison between theory and experiment
Authors: Deschamps M. , Poncelet O.
Published: July 2002

This paper presents an experimental investigation of the generation of transient Lamb waves inside an immersed plate by a time limited signal. The transient Lamb waves are the solutions of the characteristic equation of the plate for complex frequency and real slowness, in contrast to the leaky Lamb waves, for which the slowness is complex and the frequency is real. By using a large transducer in agreement with the real slowness assumption, the excitation of these transient Lamb waves is observed experimentally both in reflection and transmission for a tone burst excitation. Particular attention is paid to the A0 mode for which the amplitude increases exponentially in time. As a result, the total reflected waveform contains in this case a transient contribution, coming from the generation of the A0 mode, that precedes the forced regime. It is shown that there is a very good agreement between the theoretical and the experimental time exponential amplitude variations of the transient Lamb waves. For the A0 mode, the transient signal is qualitatively explained by a group velocity higher than the phase velocity.
Dosimetric and feasibility evaluation of a CBCT‐based daily adaptive radiotherapy protocol for locally advanced cervical cancer
Authors: Branco Daniela , Mayadev Jyoti , Moore Kevin , Ray Xenia
Published: October 2022

Purpose

Evaluate a cone‐beam computed tomography (CBCT)‐based daily adaptive platform in cervical cancer for multiple endpoints: (1) physics contouring accuracy of daily CTVs, (2) CTV coverage with adapted plans and reduced PTV margins versus non‐adapted plans with standard‐of‐care (SOC) margins, (3) dosimetric improvements to CTV and organs‐at‐risk (OARs), and (4) on‐couch time.

Methods and materials

Using a Varian Ethos™ emulator and KV‐CBCT scans, we simulated the doses 15 retrospective cervical cancer patients would have received with/without online adaptation for five fractions. We compared contours and doses from SOC plans (5–15 mm CTV‐to‐PTV margins) to adapted plans (3 mm margins). Auto‐segmented CTVs and OARs were reviewed and edited by trained physicists. Physics‐edited targets were evaluated by an oncologist. Time spent reviewing and editing auto‐segmented structures was recorded. Metrics from the CTV (D99%), bowel (V45Gy, V40Gy), bladder (D50%), and rectum (D50%) were compared.

Results

The physician approved the physics‐edited CTVs for 55/75 fractions; 16/75 required reductions, and 4/75 required CTV expansions. CTVs were encapsulated by unadapted, SOC PTVs for 56/75 (72%) fractions—representative of current clinical practice. CTVs were completely covered by adapted 3 mm PTVs for 71/75 (94.6%) fractions. CTV D99% values for adapted plans were comparable to non‐adapted SOC plans (average difference of −0.9%), while all OAR metrics improved with adaptation. Specifically, bowel V45Gy and V40Gy decreased on average by 87.6 and 109.4 cc, while bladder and rectum D50% decreased by 37.7% and 35.8%, respectively. The time required for contouring and calculating an adaptive plan for 65/75 fractions was less than 20 min (range: 1–29 min).

Conclusions

Improved dose metrics with daily adaption could translate to reduced toxicity while maintaining tumor control. Training physicists to perform contouring edits could minimize the time physicians are required at adaptive sessions improving clinical efficiency. All emulated adaptive sessions were completed within 30 min however extra time will be required for patient setup, image acquisition, and treatment delivery.
COMP Report: CPQR technical quality control guidelines for use of positron emission tomography/computed tomography in radiation treatment planning
Authors: Klein Ran , Oliver Mike , La Russa Dan , Agapito John , Gaede Stewart , Bissonnette JeanPierre , Rahmim Arman , Uribe Carlos
Published: October 2022

Positron emission tomography with x‐ray computed tomography (PET/CT) is increasingly being utilized for radiation treatment planning (RTP). Accurate delivery of RT therefore depends on quality PET/CT data. This study covers quality control (QC) procedures required for PET/CT for diagnostic imaging and incremental QC required for RTP. Based on a review of the literature, it compiles a list of recommended tests, performance frequencies, and tolerances, as well as references to documents detailing how to perform each test. The report was commissioned by the Canadian Organization of Medical Physicists as part of the Canadian Partnership for Quality Radiotherapy initiative.
Cell‐Derived Vesicles with Increased Stability and On‐Demand Functionality by Equipping Their Membrane with a Cross‐Linkable Copolymer
Authors: Huang Xinan , Hürlimann Dimitri , Spanke Hendrik T. , Wu Dalin , Skowicki Michal , Dinu Ionel Adrian , Dufresne Eric R. , Palivan Cornelia G.
Published: October 2022

Cell‐derived vesicles retain the cytoplasm and much of the native cell membrane composition. Therefore, they are attractive for investigations of membrane biophysics, drug delivery systems, and complex molecular factories. However, their fragility and aggregation limit their applications. Here, the mechanical properties and stability of giant plasma membrane vesicles (GPMVs) are enhanced by decorating them with a specifically designed diblock copolymer, cholesteryl‐poly[2‐aminoethyl methacrylate‐b‐poly(ethylene glycol) methyl ether acrylate]. When cross‐linked, this polymer brush enhances the stability of the GPMVs. Furthermore, the pH‐responsiveness of the copolymer layer allows for a controlled cargo loading/release, which may enable various bioapplications. Importantly, the cross‐linked‐copolymer GPMVs are not cytotoxic and preserve in vitro membrane integrity and functionality. This effective strategy to equip the cell‐derived vesicles with stimuli‐responsive cross‐linkable copolymers is expected to open a new route to the stabilization of natural membrane systems and overcome barriers to biomedical applications.
Tolerogenic Nanovaccine for Prevention and Treatment of Autoimmune Encephalomyelitis
Authors: Park Jinwon , Le Quoc‐Viet , Wu Yina , Lee Jaiwoo , Oh Yu‐Kyoung
Published: October 2022

Herein, a tolerogenic nanovaccine is developed and tested on an animal model of multiple sclerosis. The nanovaccine is constructed to deliver the self‐antigen, myelin oligodendrocyte glycoprotein (MOG) peptide, and dexamethasone on an abatacept‐modified polydopamine core nanoparticle (AbaLDPN‐MOG). AbaLDPN‐MOG can target dendritic cells and undergo endocytosis followed by trafficking to lysosomes. AbaLDPN‐MOG blocks the interaction between CD80/CD86 and CD28 in antigen‐presenting cells and T cells, leading to decreased interferon gamma secretion. The subcutaneous administration of AbaLDPN‐MOG to mice yields significant biodistribution to lymph nodes and, in experimental‐autoimmune encephalomyelitis (EAE) model mice, increases the integrity of the myelin basic sheath and minimizes the infiltration of immune cells. EAE mice are treated with AbaLDPN‐MOG before or after injection of the autoantigen, MOG. Preimmunization of AbaLDPN‐MOG before the injection of MOG completely blocks the development of clinical symptoms. Early treatment with AbaLDPN‐MOG at three days after injection of MOG also completely blocks the development of symptoms. Notably, treatment of EAE symptom‐developed mice with AbaLDPN‐MOG significantly alleviates the symptoms, indicating that the nanovaccine has therapeutic effects. Although AbaLDPN is used for MOG peptide delivery in the EAE model, the concept of AbaLDPN can be widely applied for the prevention and alleviation of other autoimmune diseases.
Coexistence of Urbach‐Tail‐Like Localized States and Metallic Conduction Channels in Nitrogen‐Doped 3D Curved Graphene
Authors: Tanabe Yoichi , Ito Yoshikazu , Sugawara Katsuaki , Jeong Samuel , Ohto Tatsuhiko , Nishiuchi Tomohiko , Kawada Naoaki , Kimura Shojiro , Aleman Christopher Florencio , Takahashi Takashi , Kotani Motoko , Chen Mingwei
Published: October 2022

Nitrogen (N) doping is one of the most effective approaches to tailor the chemical and physical properties of graphene. By the interplay between N dopants and 3D curvature of graphene lattices, N‐doped 3D graphene displays superior performance in electrocatalysis and solar‐energy harvesting for energy and environmental applications. However, the electrical transport properties and the electronic states, which are the key factors to understand the origins of the N‐doping effect in 3D graphene, are still missing. The electronic properties of N‐doped 3D graphene are systematically investigated by an electric‐double‐layer transistor method. It is demonstrated that Urbach‐tail‐like localized states are located around the neutral point of N‐doped 3D graphene with the background metallic transport channels. The dual nature of electronic states, generated by the synergistic effect of N dopants and 3D curvature of graphene, can be the electronic origin of the high electrocatalysis, enhanced molecular adsorption, and light absorption of N‐doped 3D graphene.
Stable Tetradentate Gold(III)‐TADF Emitters with Close to Unity Quantum Yield and Radiative Decay Rate Constant of up to 2 × 106s−1: High‐Efficiency Green OLEDs with Operational Lifetime (LT90) Longer than 1800 h at 1000 cd m−2
Authors: Zhou Dongling , Tong Glenna So Ming , Cheng Gang , Tang Yu‐Kan , Liu Wei , Ma Dongge , Du Lili , Chen Jian‐Rui , Che Chi‐Ming
Published: October 2022

High maximum external quantum efficiency (EQEmax), small efficiency roll‐offs, and long operational lifetime at practical luminances are three crucial parameters for commercialization of organic light‐emitting diodes (OLEDs). To simultaneously achieve these goals, it is desirable to have the radiative decay rate constant (kr) as large as possible, which, for a thermally activated delayed fluorescent (TADF) emitter, requires both a large S1→S0radiative decay rate constant (krS) and a small singlet–triplet energy gap (ΔEST). Here, the design of a class of tetradentate gold(III) TADF complexes for narrowing the ΔESTwhile keeping thekrSlarge is reported. The as‐synthesized complexes display green emission with close to unity emission quantum yields, andkrapproaching 2 × 106s−1in thin films. The vacuum‐deposited green OLEDs based on1and4demonstrate maximum EQEs of up to 24 and 27% with efficiency roll‐offs of 5.5 and 2.2% at 1000 cd m−2, respectively; the EQEs maintain high at 10 000 cd m−2(19% (1) and 24% (4)). A long LT90device lifetime of 1820 h at 1000 cd m−2for complex1is achieved, which is one of the longest device lifetimes of TADF‐OLEDs reported in the literature.
Probing Temperature‐Induced Phase Transitions at Individual Ferroelectric Domain Walls
Authors: Kelley Kyle P. , Kalinin Sergei V. , Eliseev Eugene , Raghuraman Shivaranjan , Jesse Stephen , Maksymovych Peter , Morozovska Anna N.
Published: October 2022

Ferroelectric domain walls have emerged as one of the most fascinating objects in condensed matter physics due to the broad variability of functional behaviors they exhibit. However, the vast majority of domain walls studies have been focused on bias‐induced dynamics and transport behaviors. Here, the scanning probe microscopy approach based on piezoresponse force microscopy (PFM) with a dynamically heated probe, combining local heating and local biasing of the material is introduced. This approach is used to explore the thermal polarization dynamics in soft Sn2P2S6 ferroelectrics, and allows for the exploration of phase transitions at individual domain walls. The strong and weak modulation regimes for the thermal PFM are introduced. The future potential applications of heated probe approach for functional SPM measurements including piezoelectric, elastic, microwave, and transport measurements are discussed.
Evaluation of the Passivation Effects of PEDOT:PSS on Inverted Perovskite Solar Cells
Authors: Qi Yifang , Almtiri Mohammed , Giri Hari , Jha Surabhi , Ma Guorong , Shaik Abdul Kalam , Zhang Qiqi , Pradhan Nihar , Gu Xiaodan , Hammer Nathan I. , Patton Derek , Scott Colleen , Dai Qilin
Published: October 2022

Poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is a popular hole transport material in perovskite solar cells (PSCs). However, the devices with PEDOT:PSS exhibit large open‐circuit voltage (Voc) loss and low efficiency, which is attributed to mismatched energy level alignment and the poor interface of PEDOT:PSS and perovskite. Here, three polymer analogues to polyaniline (PANI), PANI–carbazole (P1), PANI–phenoxazine (P2), and PANI–phenothiazine (P3) are designed with different energy levels to modify the interface between PEDOT:PSS and the perovskite layer and improve the device performance. The effects of the polymers on the device performance are demonstrated by evaluating the work function adjustment, perovskite growth control, and interface modification in MAPbI3‐based PSCs. Low bandgap Sn–Pb‐based PSCs are also fabricated to confirm the effects of the polymers. Three effects are evaluated through the comparison study of PEDOT:PSS‐based organic solar cells and MAPbI3 PSCs based on the PEDOT:PSS modified by P1, P2, and P3. The order of contribution for the three effects is work function adjustment > surface modification > perovskite growth control. MAPbI3 PSCs modified with P2 exhibit a high Voc of 1.13 V and a high‐power conversion efficiency of 21.06%. This work provides the fundamental understanding of the interface passivation effects for PEDOT:PSS‐based optoelectronic devices.
Usual nutrient intake and dietary quality of low‐income U.S. older adults
Authors: Qin Yue , Cowan Alexandra E. , Bailey Regan L. , Jun Shinyoung , Eicher‐Miller Heather A.
Published: October 2022

We estimate nutrient intake from diet and total sources including dietary supplements (DS), and dietary quality of low‐income U.S. older adults (60+ years) using the 2007–2016 National Health and Nutrition Examination Survey. We apply the National Cancer Institute method to determine usual/habitual nutrient intake distributions. Our results reveal that low‐income older adults have poor nutrient intake and dietary quality. DS use reduces the risk of nutrient inadequacy but is not associated with statistically significantly better dietary quality. Future policies that would change access to nutrients through DS should consider the current DS contributions to nutrient intake among the low‐income, older population.
Advanced Nonplatinum Oxygen Reduction Electrocatalysts Prepared by Low‐Temperature Plasma Technology
Authors: Qin Chu , Hu Ting-Ting , Tian Shijun , Jiang Zhong-Jie , Jiang Zhongqing
Published: October 2022

With the continuous development of technology and the increasing energy demand, it is necessary to develop new energy‐storage and conversion devices. Oxygen reduction reaction (ORR) is a key step in energy‐conversion processes and the synthesis of new materials for highly efficient ORR electrocatalyst is critical in solving the energy problems. To enhance the activity of the electrocatalysts and expose more active sites on the surface, plasma technology is utilized to modify the catalyst surface through etching, heteroatom doping, and surface functionalization. Low‐temperature plasma technology is now used extensively in the synthesis and modification of materials. With the advantages of being highly efficient, environment friendly, and affordable, the low‐temperature plasma technology holds great potential for development in the future. Herein, the synthesis and modification of nonplatinum ORR catalysts using new advances in low‐temperature plasma technology are summarized. The application and development potential of plasma surface treatment and plasma synthesis on nonplatinum ORR catalysts are discussed to provide perspectives for future research in this field.
Air quality monitoring of sow houses with the fuzzy comprehensive evaluation method
Authors: Chen Chong , Shen Cuifeng , Duan Wenyong
Published: October 2022

The comfort of sow house environments is dependent on several aspects. Therefore, it is difficult to accurately assess and control the environment by applying a single factor. In this study, Shannon's entropy theory, the fuzzy comprehensive evaluation (FCE) method, as well as the improved analytic hierarchy process (IAHP) were combined to provide reasonable subjective and objective weights for environmental comfort evaluation modeling. In addition, an evaluation index system including five environmental factors was established. To decide the membership degree of each environmental factor, we proposed a method to establish fuzzy membership functions (MFs) and devised a calculation method for related parameters. Three basic types of MFs, including the trapezoidal membership function (trapmf), pi‐shaped membership function (pimf), and ridge membership function (ridgemf), were adopted to establish an evaluation model that fit well with the entropy‐IAHP‐FCE model. The proposed method was verified using real measurements of spatiotemporal data, and results show that multiple environmental parameters were successfully integrated into the FCE for sow house environment evaluation. The FCE method delivered higher correlation coefficients of 0.8785, 0.9512, and 0.9719 compared with the temperature‐humidity index, single‐factor evaluation, and least squares support vector regression methods. The FCE method enhances sensitivity and performs an effective evaluation of environmental comfort. It can be integrated into environmental control and early‐warning systems for environmental management optimization, thereby enhancing sow production and welfare.
Experimental determination of dissociation constants (pKa) for N‐(2‐aminoethyl)‐1,3‐propanediamine, 2‐methylpentamethylene diamine, N,N‐dimethyldipropylenetriamine, 3,3′‐diamino‐N‐methyldipropyl‐amine, Bis[2‐(N,N‐dimethylamino)ethyl]ether, 2‐[2‐(dimethyl‐amino) ethoxy] ethanol, 2‐(dibutylamino) ethanol, and N‐propylethanol‐amine and modeling with artificial neural network
Authors: Liu Gao , Nguyen William (Hoang Chi Hieu) , Henni Amr
Published: October 2022

The dissociation constants (pKa) of the eight amines, namely, N‐(2‐aminoethyl)‐1,3‐propanediamine, 2‐methylpentamethylene diamine, N,N‐dimethyldipropylene‐triamine, 3,3′‐diamino‐N‐methyl‐dipropylamine, Bis[2‐(N,N‐dimethylamino) ethyl]ether, 2‐[2‐(dimethyl‐amino)ethoxy] ethanol, 2‐(dibutylamino) ethanol, and N‐propylethanolamine were measured between 298.15 and 313.15 K with 5 K increment. Based on the experimental values and using the van't Hoff equation, thermodynamic properties such as the standard state changes of enthalpy, entropy, and Gibbs free energy were calculated. Using computational chemistry calculations, the amine that is protonated first was predicted. Furthermore, computer‐free group contribution methods such as the original Perrin–Dempsey–Serjeant (PDS), the modified PDS, and the Qian–Sun–Sun–Gao (QSSG) model were used to estimate the dissociation constants of the studied amines at 298.15 K. The QSSG provided the most accurate results. Finally, this work utilized an artificial neural network for estimating the pKa values, which were in excellent agreement with the experimental data.
Modularized Paper Actuator Based on Shape Memory Alloy, Printed Heater, and Origami
Authors: Zheng Ke , Gao Enlai , Tian Bin , Liang Jing , Liu Qun , Xue Enbo , Shao Qian , Wu Wei
Published: October 2022

Smart materials promote the development of soft actuators. Herein, the modularized origami soft actuators consisting of shape memory alloy (SMA) wires, foldable paper‐based heaters, and paper substrates with special origami structures are proposed, which are connected without adhesive and allow convenient replacement for damaged parts. SMA wires are threaded into the paper as a drive module. The foldable paper‐based heaters with a length of 288 mm can be heated to 105.1 °C at 6.5 V to control the origami soft actuators. Combined with theoretical calculations and experimental measurements, the origami structure is adopted which exhibits a high recoverability compared with the flat structure because the design finds a structure–material balance by increasing structural flexural rigidity (2 times of that flat structure) for improving the restoring force while maintaining the deformation of materials within the elastic region during the actuation. The three modules in the origami actuator are independent and perform their functions individually. The combined system can also become a module that provides a driving force in other devices. This work provides a novel route and insight for developing modular soft actuators.
Visceral adiposity index is a better predictor to discriminate metabolic syndrome than other classical adiposity indices among young adults
Authors: Vega‐Cárdenas Mariela , Teran‐Garcia Margarita , Vargas‐Morales Juan Manuel , Padrón‐Salas Aldanely , Aradillas‐García Celia
Published: October 2022

Background

Visceral adiposity index (VAI) has been identified as a cardiometabolic risk marker in children and adolescents which reflects abdominal fat distribution. The aim of the present study was to evaluated the predictive capacity of VAI, a body shape index (ABSI), atherogenic index of plasma (AIP), and triglycerides and glucose index (TyG index) compared with classical anthropometric measurements to discriminate metabolic syndrome (MetS).

Methods

This retrospective study included 1372 individuals. Anthropometric, clinical, and biochemical measurements were used to screen the prevalence of MetS components and to calculate VAI, ABSI, TyG index, and AIP.

Results

The discriminatory capacity among the variables was assessed by the area under the receiver operating characteristic (ROC) curve (AUC). VAI was the variable with the highest AUC with 0.932 CI 95% (0.917–0.948), followed by AIP with 0.914 CI 95% (0.897–0.931), and TyG index with 0.889 CI 95% (0.871–0.908).

Conclusion

VAI is a promising tool to identify MetS in the late adolescence setting. Among the novel adiposity indexes VAI, AIP, TyG index are able to determine MetS presence, while ABSI is not capable.
Disease mechanisms of monogenic congenital anomalies of the kidney and urinary tract
Authors: Connaughton Dervla M. , Hildebrandt Friedhelm
Published: October 2022

Congenital Anomalies of the Kidney and Urinary Tract (CAKUT) is a developmental disorder of the kidney and/or genito‐urinary tract that results in end stage kidney disease (ESKD) in up to 50% of children. Despite the congenital nature of the disease, CAKUT accounts for almost 10% of adult onset ESKD. Multiple lines of evidence suggest that CAKUT is a Mendelian disorder, including the observation of familial clustering of CAKUT. Pathogenesis in CAKUT is embryonic in origin, with disturbances of kidney and urinary tract development resulting in a heterogeneous range of disease phenotypes. Despite polygenic and environmental factors being implicated, a significant proportion of CAKUT is monogenic in origin, with studies demonstrating single gene defects in 10%–20% of patients with CAKUT. Here, we review monogenic disease causation with emphasis on the etiological role of gene developmental pathways in CAKUT.
Spontaneous Assembly and Three‐Dimensional Stacking of Antiaromatic 5,15‐Dioxaporphyrin on HOPG
Authors: Chen Tsang‐Wei Matt , Tanaka Yuki , Kametani Yohei , Cheng Kum‐Yi , Lin Chih‐Hsun , Lin Yi Rick , Hsu Ting‐Rong , Chen Zuqian , Hao Jiping , Mori Shigeki , Shiota Yoshihito , Yoshizawa Kazunari , Furuta Hiroyuki , Shimizu Soji , Chen Chun‐hsien
Published: October 2022

Antiaromatic compounds have recently received considerable attention because of their novel properties such as narrow HOMO–LUMO gaps and facile formation of mutual stacking. Here, the spontaneous assembly of antiaromatic meso‐2‐thienyl‐substituted 5,15‐dioxaporphyrin (DOP‐1) is scrutinized at the liquid‐solid interface by scanning tunneling microscopy (STM). Polymorphism in monolayers characterized by the orthogonal and parallel assemblies is found at the low concentration of 0.05 mM. The parallel assembly is more stable and dominantly formed at higher concentrations. Aggregation was observed at concentrations >0.2 mM, and the STM images of the aggregates implied the formation of stacked layers. The intrinsic electronic structures of the mutually stacked bilayer generated by applying an electric pulse to the monolayer were probed by scanning tunneling spectroscopy to reveal the narrowing of the HOMO–LUMO gap by about 20 % compared with the monolayer, thus suggesting significant molecular orbital interactions.
Alkaline Tolerant Antifreezing Additive Enabling Aqueous Zn||Ni Battery Operating at −60 °C
Authors: Chen Shengmei , Peng Chao , Xue Dongfeng , Ma Longtao , Zhi Chunyi
Published: October 2022

Alkaline aqueous batteries such as the Zn||Ni batteries have attracted substantial interests due to their merits of high energy density, high safety and low cost. However, the freeze of aqueous electrolyte and the poor cycling stability in alkaline condition have hindered their operation in subzero conditions. Herein, we construct a stable aqueous electrolyte with lowest freezing point down to −90 °C by adding dimethyl sulfoxide (DMSO) as alkaline tolerant antifreezing additive into 1 M KOH solution. Meanwhile, we find the DMSO can also retard Zn anode corrosion and prevent Zn dendrite formation in alkaline condition, which enables the Zn plating/stripping over 700 h cycle at 1 mA cm−2 and 0.5 mAh cm−2. The fabricated Zn||Ni battery can endure low working temperature even down to −60 °C and its dischage capacity retains 84.1 % at −40 °C, 60.6 % at −60 °C at 0.5 C. Meanwhile, it can maintain 600 cycles with a specific capacity retention of 86.5 % at −40 °C at 2 C.
Thiamyxine: Struktur und Biosynthese myxobakterieller RNA‐Virus Inhibitoren**
Authors: Haack Patrick A. , Harmrolfs Kirsten , Bader Chantal D. , Garcia Ronald , Gunesch Antonia P. , Haid Sibylle , Popoff Alexander , Voltz Alexander , Kim Heeyoung , Bartenschlager Ralf , Pietschmann Thomas , Müller Rolf
Published: October 2022

Unsere Suche nach neuen myxobakteriellen Naturstoffen führte zur Entdeckung der Thiamyxine, thiazol‐ und thiazolinreichen nichtribosomalen Peptid‐Polyketid‐Hybriden mit potenter antiviraler Aktivität. Vier Mitglieder dieser noch unbeschriebenen Naturstofffamilie wurden isoliert. Darunter auch ein offenkettiges Derivat, welches eine Glycerin‐Einheit am C‐Terminus trägt. Basierend auf der Analyse des Thiamyxin‐Biosythesegenclusters und unterstützt durch Fütterungsexperimente mit isotopenmarkierten Vorläufersubstanzen, beschreiben wir hier neben der Strukturaufklärung der Thiamyxine ein Biosynthesemodell. Als Besonderheit ist der Einbau eines 2‐(Hydroxymethyl)‐4‐methylpent‐3‐ensäure‐Bausteins durch die Polyketidsynthase zu nennen, die auch eine GCN5‐verwandte N‐Acetyltransferase‐Decarboxylase‐Domäne beinhaltet. Die Thiamyxine zeigen in mit Corona‐, Zika‐ und Dengue‐Virus infizierten Zellkulturmodellen eine deutliche Hemmung von RNA‐Viren. Ihre Potenz, bis zu einer halb‐maximalen Hemmkonzentration von 560 nM, in Verbindung mit milderen zytotoxischen Wirkungen auf menschliche Zelllinien, indizieren ein Potenzial für die weitere Entwicklung der Thiamyxine.
Thiamyxins: Structure and Biosynthesis of Myxobacterial RNA‐Virus Inhibitors**
Authors: Haack Patrick A. , Harmrolfs Kirsten , Bader Chantal D. , Garcia Ronald , Gunesch Antonia P. , Haid Sibylle , Popoff Alexander , Voltz Alexander , Kim Heeyoung , Bartenschlager Ralf , Pietschmann Thomas , Müller Rolf
Published: October 2022

During our search for novel myxobacterial natural products, we discovered the thiamyxins: thiazole‐ and thiazoline‐rich non‐ribosomal peptide‐polyketide hybrids with potent antiviral activity. We isolated four congeners of this unprecedented natural product family with the non‐cyclized thiamyxin D fused to a glycerol unit at the C‐terminus. Alongside their structure elucidation, we present a concise biosynthesis model based on biosynthetic gene cluster analysis and isotopically labelled precursor feeding. We report incorporation of a 2‐(hydroxymethyl)‐4‐methylpent‐3‐enoic acid moiety by a GCN5‐related N‐acetyltransferase‐like decarboxylase domain featuring polyketide synthase. The thiamyxins show potent inhibition of RNA viruses in cell culture models of corona, zika and dengue virus infection. Their potency up to a half maximal inhibitory concentration of 560 nM combined with milder cytotoxic effects on human cell lines indicate the potential for further development of the thiamyxins.
Positively charged modification of commercial nanofiltration membrane to enhance the separation of mono−/divalent cation
Authors: Zhang Xue , Li Fuzhi , Liu Mingqiao , Zhu Chenyu , Zhao Xuan
Published: October 2022

The separation efficiency of mono−/divalent cations by a commercial nanofiltration membrane can be enhanced by increasing the surface positive charge. In this study, a novel surface grafting method was suggested, including activation with 2‐chloro‐1‐methyliodopyridine (CMPI), and sequent graft polyethylene‐imine (PEI) and 2,3‐epoxypropyltrimethylammonium chloride (EPTAC). Less flux reduction (<30%) and higher separation factor of Mg2+/Na+ (8.03–9.77) was achieved with the modified membrane under the grafting condition of 0.05 wt% CMPI, 2 wt% PEI, and 1 wt% EPTAC. The modified membranes had higher surface positive charge, hydrophilicity and cross‐linking degree. During the 32‐h filtration of a mixed salt solution, the modified membranes showed larger permeance (>11 L m−2 h−1 bar−1) and higher ion selectivity than the pristine membrane, with separation factors of Mg2+/Na+ and Mg2+/Li+ ranging 36.3–46.2 for the modified membranes. The modified membranes also have higher antifouling properties and are more stable at higher pH condition. The results demonstrate a facile and scalable surface modification method to improve the cation selectivity of commercial NF membranes, which shows great potential in the application of mono−/divalent ion separation.