bluuebunny/crossref_metadata_2025 huggingface dataset:
Association of Primary Care Visit Length With Potentially Inappropriate Prescribing
Authors: Neprash Hannah T. , Mulcahy John F. , Cross Dori A. , Gaugler Joseph E. , Golberstein Ezra , Ganguli Ishani
Published: March 2023

Importance

Time is a valuable resource in primary care, and physicians and patients consistently raise concerns about inadequate time during visits. However, there is little evidence on whether shorter visits translate into lower-quality care.

Objective

To investigate variations in primary care visit length and quantify the association between visit length and potentially inappropriate prescribing decisions by primary care physicians.

Design, Setting, and Participants

This cross-sectional study used data from electronic health record systems in primary care offices across the US to analyze adult primary care visits occurring in calendar year 2017. Analysis was conducted from March 2022 through January 2023.

Main Outcomes and Measures

Regression analyses quantified the association between patient visit characteristics and visit length (measured using time stamp data) and the association between visit length and potentially inappropriate prescribing decisions, including inappropriate antibiotic prescriptions for upper respiratory tract infections, coprescribing of opioids and benzodiazepines for painful conditions, and prescriptions that were potentially inappropriate for older adults (based on the Beers criteria). All rates were estimated using physician fixed effects and were adjusted for patient and visit characteristics.

Results

This study included 8 119 161 primary care visits by 4 360 445 patients (56.6% women) with 8091 primary care physicians; 7.7% of patients were Hispanic, 10.4% were non-Hispanic Black, 68.2% were non-Hispanic White, 5.5% were other race and ethnicity, and 8.3% had missing race and ethnicity. Longer visits were more complex (ie, more diagnoses recorded and/or more chronic conditions coded). After controlling for scheduled visit duration and measures of visit complexity, younger, publicly insured, Hispanic, and non-Hispanic Black patients had shorter visits. For each additional minute of visit length, the likelihood that a visit resulted in an inappropriate antibiotic prescription changed by −0.11 percentage points (95% CI, −0.14 to −0.09 percentage points) and the likelihood of opioid and benzodiazepine coprescribing changed by −0.01 percentage points (95% CI, −0.01 to −0.009 percentage points). Visit length had a positive association with potentially inappropriate prescribing among older adults (0.004 percentage points; 95% CI, 0.003-0.006 percentage points).

Conclusions and Relevance

In this cross-sectional study, shorter visit length was associated with a higher likelihood of inappropriate antibiotic prescribing for patients with upper respiratory tract infections and coprescribing of opioids and benzodiazepines for patients with painful conditions. These findings suggest opportunities for additional research and operational improvements to visit scheduling and quality of prescribing decisions in primary care.
Effect of Financial Incentives and Default Options on Food Choices of Adults With Low Income in Online Retail Settings
Authors: Rummo Pasquale E. , Roberto Christina A. , Thorpe Lorna E. , Troxel Andrea B. , Elbel Brian
Published: March 2023

Importance

Despite recent growth in online redemption of Supplemental Nutrition Assistance Program (SNAP) benefits, no previous work has tested the impact of economic and behavioral economic strategies on food purchasing behaviors in an online grocery retail setting among adults with low income.

Objective

To examine the extent to which financial incentives and default shopping cart options influence fruit and vegetable purchases.

Design, Setting, and Participants

This randomized clinical trial used an experimental online grocery store for adults who currently or have ever received SNAP benefits. From October 7 to December 2, 2021, participants were instructed to shop for a week’s worth of groceries for their household, with a budget tailored to household size; no payment was taken.

Interventions

Random assignment to 1 of 4 conditions: no intervention, 50% discount on eligible fruits and vegetables, prefilled shopping carts with tailored fruit and vegetable items (ie, default options), or a combination of the discount and default options.

Main Outcomes and Measures

The primary outcome was the percentage of nondiscounted dollars spent on eligible fruit and vegetables per basket.

Results

Of 2744 participants, mean (SD) age was 46.7 (16.0) years, and 1447 (52.7%) identified as women. A total of 1842 participants (67.1%) reported currently receiving SNAP benefits and 1492 (54.4%) reported shopping online for groceries in the previous 12 months. Participants spent a mean (SD) 20.5% (23.5%) of total dollars on eligible fruits and vegetables. Compared with no intervention, those in the discount condition spent 4.7% (98.3% CI, 1.7%-7.7%) of more total dollars on eligible fruits and vegetables; those in the default condition, 7.8% (98.3% CI, 4.8%-10.7%) more; and those in the combination condition, 13.0% (98.3% CI, 10.0%-16.0%) more (P < .001 for all). There was no difference between the discount and the default conditions (P = .06), but the effect in the combination condition was significantly larger than both discount and default conditions (P < .001). Default shopping cart items were purchased by 679 participants (93.4%) in the default condition and 655 (95.5%) in the combination condition, whereas 297 (45.8%) in the control and 361 (52.9%) in the discount conditions purchased those items (P < .001). No variation was observed by age, sex, or race and ethnicity, and results were similar when those who reported never shopping online for groceries were excluded.

Conclusions and Relevance

In this randomized clinical trial, financial incentives for fruits and vegetables and default options, especially in combination, led to meaningful increases in online fruit and vegetable purchases among adults with low income.

Trial Registration

ClinicalTrials.gov Identifier: NCT04766034
Hydrogenoanaerobacterium
Authors: Song Lei , Dong Xiuzhu
Published: March 2023

Hy.dro.gen.o.an.ae.ro.ba.te'ri.um. N. Gr. n.
hydrogenon
hydrogen; Gr. pref.
an
‐ without; Gr. n.
aer
air; Gr. neut. n.
baktron
a small rod; N.L. neut. n.
Hydrogenoanaerobacterium
an anaerobic, hydrogenogenic, rod‐shaped bacterium.

Firmicutes / Clostridia / Clostridiales / Oscillospiraceae / Hydrogenoanaerobacterium

The genus
Hydrogenoanaerobacterium
was proposed in 2009 to accommodate an obligately anaerobic bacterium that grouped with members of the family
Oscillospiraceae
affiliated with the phylum
Firmicutes
. However, the genus is differentiated from the other recognized genera of the family
Oscillospiraceae
phylogenetically and phenotypically. Cells of the genus
Hydrogenoanaerobacterium
are rods and occur singly or in pairs, and no spores are found. Although Gram‐negative staining was found for the cells throughout the whole exponential growth phase, the ultrastructure of the cell revealed an atypical Gram‐positive cell wall. The bacterium grows anaerobically, mesophilic and neutrophilically. The cellular fatty acids consist mainly of saturated and iso‐branched fatty acids, with C
14:0
, iso‐C
15:0
, C
16:0
, and iso‐C
17:1
ω9
c
being predominant. Metabolically, various mono‐, di‐, and oligo‐saccharides are fermented, and the major end products from glucose are ethanol, acetate, hydrogen gas, and carbon dioxide.
Hydrogenanoaerobacterium saccharovorans
is the only described species of the genus, which was isolated from a lab‐scale H
2
‐producing up‐flow anaerobic sludge blanket (UASB) reactor.

DNA G + C content (mol%)
: 41.9 ± 0.5 (
T
m
).

Type species
:
Hydrogenanoaerobacterium saccharovorans
Song and Dong 2009
VP
.
Rapidithrix
Authors: Yokota Akira
Published: March 2023

Ra.pid.i.thrix. L. masc. adj.
rapidus
, rapid; Gr. fem. n.
thrix
, hair; N.L. fem. n.
Rapidithrix
, rapidly moving hair.

Bacteroidota / Flavobacteria / Flavobacteriales / Flammeovirgaceae / Rapidithrix

The genus
Rapidithrix
accommodates Gram‐stain negative, chemo‐organotrophic, strictly aerobic, gliding bacteria. Cells are unbranched, flexible filaments, 0.7 × 20–100 μm. Resting stages are not known. Require seawater for growth. The major respiratory quinone is MK‐7. The major cellular fatty acids are C
16:1
and C
15:0
. This genus belongs to the family
Flammeovirgaceae
, phylum
Bacteroidota
. Known habitat is seawater.

DNA G + C content (mol%)
: 40–43 (HPLC).

Type species
:
Rapidithrix thailandica
Srisukchayakul et al. 2007
VP
.
Evaluation of BMI‐based tube voltage selection in CT colonography: A prospective comparison of low kV versus routine 120 kV protocol
Authors: Li Beibei , Wang Xu , Fan Yong , Wang Shigeng , Tong Xiaoyu , Zhang Jingyi , Li Jianying , Liu Yijun
Published: March 2023

Aim

To explore the value of individualized kVp selection based on the patient's body mass index (BMI, kg/m2) in CT colonography (CTC).

Materials and Methods

Seventy‐eight patients underwent two CTC scans: conventional 120 kVp in supine position (Group A) with 30% Adaptive statistical iteration algorithm (ASIR–V) and BMI–based lower kV p in prone position (Group B): tube voltage was suggested by an experienced investigator according to the patient's body mass index (BMI; calculated as weight divided by height squared; kg/m (2)).70 kV for BMI < 23 kg/m2 (Group B1, n = 27), 80 kV for 23 ≤ BMI ≤ 25 kg/m2(Group B2, n = 21) and 100 kV for BMI > 25 kg/m2 (Group B3, n = 30). Group A, corresponding to the BMI value in Group B, was divided into A1, A2, and A3 subgroups for analysis. Groups B used ASIR‐V of different weights (30%–90% ASIR–V). The Hounsfield Unit (HU) and SD values of the muscles and the intestinal cavity air were measured, and the signal‐to‐noise ratio (SNR) and the contrast‐to‐noise ratio (CNR) of images were calculated. Imaging quality was evaluated by two reviewers and statistically compared.

Results

The 120 kV scans were preferred more than 50% of the time. All images had excellent quality with good consistency between reviewers (Kappa > 0.75, p < 0.05). The radiation dose was reduced in groups B1, B2 and B3 by 63.62%, 44.63%, and 32.14%, respectively, compared with group A (p < 0.05). The SNR and CNR values between group A1/A2/A3 and B1/B2/B3 + 60%ASIR‐V were not statistically significant (p < 0.05). There was no statistically significant difference between the subjective scores of group B combined with 60%ASIR‐V and group A (p > 0.05).

Conclusion

BMI‐based individualized kV CTC imaging significantly reduces overall radiation dose while providing an equal image quality with the conventional 120 kV.
Novel Sulfur‐Containing Carbon Nanotubes with Graphene Nanoflaps for Stretchable Sensing, Joule Heating, and Electro‐Thermal Actuating
Authors: Ren Dayong , Zhao Chendong , Zhang Shaoning , Zhang Kan , Huang Fuqiang
Published: March 2023

Stretchable conductors based on nanopercolation networks have garnered great attention for versatile applications. Carbon nanotubes (CNTs) are well‐suited for creating high‐efficiency nanopercolation networks. However, the weak interfacial shear strength (IFSS) between CNTs and elastomer hardly dissipates the deformation energy and thus deteriorates the conductive network. Herein, a novel sulfur‐containing CNTs attached with abundant graphene nanoflaps using a two‐step sulfidation strategy are developed. The sulfur functionality creates a strong interfacial interaction with the elastomer polymer, while the graphene nanoflaps provide an enhanced, intertwined shear interface with elastomer that is capable of efficiently dissipating the deformation energy. As a result, the optimized nanocomposite significantly improves the IFSS between nanofiller and elastomer, displaying remarkable conductive robustness (ΔR/R0≈1.8 under 200%), superior stretchability (> 450%), and excellent mechanical durability (≈30 000 cycles). Moreover, the nanocomposite demonstrates excellent Joule heating efficiency (≈150 °C in 12 V), stretchable heating conversion (≈200%), and long‐term stability (> 24 h). To illustrate its capabilities, the nanocomposite is used to track human physiological signals and perform electric‐thermal actuating as a set of soft tongs. It is believed that this innovative approach will provide value for the development of wearable/stretchable devices, as well as human‐machine interaction, and bio‐robotics in the future.
siRNA Delivery against Myocardial Ischemia Reperfusion Injury Mediated by Reversibly Camouflaged Biomimetic Nanocomplexes
Authors: Zhou Yang , Liang Qiujun , Wu Xuejie , Duan Shanzhou , Ge Chenglong , Ye Huan , Lu Jianhui , Zhu Rongying , Chen Yongbing , Meng Fenghua , Yin Lichen
Published: March 2023

siRNA‐mediated management of myocardial ischemia reperfusion (IR) injury is greatly hampered by the inefficient myocardial enrichment and cardiomyocyte transfection. Herein, nanocomplexes (NCs) reversibly camouflaged with a platelet–macrophage hybrid membrane (HM) are developed to efficiently deliver Sav1 siRNA (siSav1) into cardiomyocytes, suppressing the Hippo pathway and inducing cardiomyocyte regeneration. The biomimetic BSPC@HM NCs consist of a cationic nanocore assembled from a membrane‐penetrating helical polypeptide (P‐Ben) and siSav1, a charge‐reversal intermediate layer of poly(l‐lysine)‐cis‐aconitic acid (PC), and an outer shell of HM. Due to HM‐mediated inflammation homing and microthrombus targeting, intravenously injected BSPC@HM NCs can efficiently accumulate in the IR‐injured myocardium, where the acidic inflammatory microenvironment triggers charge reversal of PC to shed off both HM and PC layers and allow the penetration of the exposed P‐Ben/siSav1 NCs into cardiomyocytes. In rats and pigs, BSPC@HM NCs remarkably downregulates Sav1 in IR‐injured myocardium, promotes myocardium regeneration, suppresses myocardial apoptosis, and recovers cardiac functions. This study reports a bioinspired strategy to overcome the multiple systemic barriers against myocardial siRNA delivery, and holds profound potential for gene therapy against cardiac injuries.
Multimodal Information Perception and Understanding: Application of Smart Glove in Virtual‐Reality Fusion Chemistry Experiment Platform
Authors: Wang Hongyue , Feng Zhiquan , Meng Xin
Published: March 2023

Virtual reality (VR) experimental platforms are frequently utilized in the teaching of chemical experiments because of its high level of interest, lifelike effect, and safe and dependable advantages. However, users are unable to operate genuine experimental equipment on the present VR experimental platform, and these systems are unable to precisely assess and manage users’ operation intentions. In light of the aforementioned concerns, this paper develops a smart glove with cognitive capabilities, which is composed of a variety of simple commercial sensors and binocular cameras. The smart glove can be applied to the virtual‐reality fusion chemical experiment platform established in this paper. Additionally, a navigation interaction algorithm based on multimodal intention understanding is also proposed in this study (hereinafter referred to as NIAMIU algorithm). The smart glove can accurately and efficiently obtain the user's operation intention through the algorithm. The experiment showcased that the smart glove detailed in this paper is capable of precisely determining the position of users’ hands in space and guiding and rectifying the user's interactive behavior. Meanwhile, users may converse with the smart glove in an unsupervised setting and conclude the experiment by following the directions supplied by the smart glove. In comparison to a conventional data glove, the smart glove designed in this paper considerably augments the accuracy and efficiency of human‐computer interaction.
Nonvolatile Switchable Broadband Polarization Conversion with Wearable Terahertz Chalcogenide Metamaterials
Authors: Lian Meng , Su Ying , Liu Kuan , Zhang Shoujun , Chen Xieyu , Ren Haonan , Xu Yihan , Chen Jiajia , Tian Zhen , Cao Tun
Published: March 2023

Polarization is a fundamental characteristic of light waves carrying sensitive measurement and signal communication information. Traditional schemes for advanced controlling polarization impose stringent requirements on material features and obtain merely limited performance. Integration of diversified and switchable functions into monolithic metamaterials has become a rising research field, particularly for the terahertz (THz) spectrum. However, the study on the switchable and wearable polarization meta‐converter with nonvolatile operation stays unexplored. Here, the switching of metamaterial‐induced ultra‐broadband and very efficient reflective linear polarization conversion at the THz frequency is experimentally realized. When the as‐deposited Ge2Sb2Te5 (GST225) capping layer of the proposed converter is in amorphous state, the multilayered metamaterials possess triple neighboring peak resonances, by which the linear incident polarization could be converted to its orthogonal counterpart on reflection. The measured polarization conversion ratio (PCR) under normal incidence is above 0.7 in the spectrum ranging from 0.53 to 1.25 THz. Notably, the strength of PCR can be continuously tuned as gradually transiting the structural state of GST225 from amorphous to crystalline. This continuously switchable converter may pave an avenue for dynamically controlling the THz polarization states and bring more possibilities for flexible meta‐devices in the various applications for THz imaging, spectroscopy, and communications.
Enabling Perovskite Solar Cell Omnidirectional Light Utilizing Via Trapping Technology
Authors: Wang Weijian , Yu Gang , Attique Sanam
Published: March 2023

Promising optoelectronic properties of perovskites make it a research hotspot for the scientific community. Previously many groups are working on optical optimization, interface modification, material screening, and energy level matching of perovskite solar cells (PSCs). Herein, PSCs compatible with nano‐structure and photonic crystal (NSPC) are designed theoretically by using the numerical simulation technology that gives better light trapping capability to the PSC devices. The physical model is composed of perovskite spheres based on TiO2 and PDMS with the nanostructure. The size parameters of the photovoltaic devices are optimized and the wide‐angle absorption characteristics of PSCs with NSPC structure are investigated. Simulation results verify the superior optical performance of the new PSCs with a maximum photocurrent of 25.77 mA cm−2, which is 2.17 mA cm−2 higher than that of the conventional flat structured PSCs (23.60 mA cm−2). The results of the wide‐angle study demonstrate that the novel PSCs have omnidirectional absorption of photons. To elucidate the light‐trapping mechanism of the novel PSCs, the electric and magnetic field distributions of different structural PSCs are analyzed. The physical model the authors establish provides a solid theoretical basis for the research and development of PSCs with ultra‐low surface reflection loss and ultra‐high performance.
Electricity Generation from Phase Transitions between Liquid and Gaseous Water
Authors: Shao Beibei , Song Yuhang , Song Zheheng , Wang Yanan , Wang Yusheng , Liu Ruiyuan , Sun Baoquan
Published: March 2023

The ubiquitous and spontaneous phase transitions between liquid and gaseous water contain substantial energy that can be harvested by emerging hydrovoltaic technologies, including evaporation‐induced generators (EIGs) and moisture‐induced generators (MIGs). Featuring the virtues of ubiquity, spontaneity, and direct current output, this emerging technology broadens the technical feasibility of harvesting energy from the natural water cycle, enabling self‐powered and sustainable electronics. Elaborated materials synthesis and innovative device design have been proposed to facilitate efficient water energy harvesting. However, some critical challenges in gaining insight into the mechanisms, power improvements, and practical applications are imperative to be overcome for this nascent yet impactful field. Herein, the evolution and advances of EIGs and MIGs are comprehensively summarized. The basic principles of phase transitions between liquid and gaseous water and the mechanisms of power generation are clarified. Then the current materials systems and strategies to further enhance the device performance are reviewed and thoroughly evaluated. The exemplary applications assembled in EIGs and MIGs are also outlined. Finally, the main challenges and future orientations of this burgeoning technology are presented.
Consumer willingness to pay for production attributes of cotton apparel
Authors: Boufous Sawssan , Hudson Darren , Carpio Carlos
Published: March 2023

We investigate US consumers' willingness to pay for cotton apparel production and country of origin attributes. Using a choice‐based conjoint experiment and information treatments, we examine the preferences of 727 US shoppers for the attributes: cotton fiber production systems and country of manufacture of the cotton fiber. Random utility theory is the basis for the survey's responses analysis to estimate willingness to pay (WTP) values for the attributes. Choices made by consumers are modeled using a mixed logit model in WTP space estimated using simulated maximum likelihood procedures. Results show that consumers are willing to pay more for cotton apparel from the United States than apparel from other countries, and more for apparel made from fiber produced in organic systems than in conventional systems. Only some subgroups of consumers were found to be affected by exposure to an information treatment regarding potential labor exploitation in cotton farms and textile mills. [EconLit Citations: D12].
Temperature‐controlled radiofrequency device treatment of septal swell bodies for nasal airway obstruction: An open‐label, single arm multicenter study
Authors: Pritikin Jordan , Silvers Stacey , Rosenbloom Jeffrey , Davis Bryan , Signore Anthony Del , Sedaghat Ahmad R. , Tajudeen Bobby A. , Schmale Isaac , Lyons Jack , Corey Jacquelynne , Chandra Rakesh
Published: March 2023

Background

Nasal airway obstruction (NAO) is a highly prevalent disorder. Septal swell body (SSB) hypertrophy is an often overlooked contributor to NAO. SSB treatment may relieve symptoms of NAO. The objective of this study was to assess the clinical use of a temperature‐controlled radiofrequency (TCRF) device to treat SSBs to improve symptoms in adults with NAO.

Methods

In this prospective, multicenter, open‐label, single arm study, patients with severe or extreme NAO related to SSB hypertrophy received bilateral TCRF treatment in the SSB area. The primary endpoint was improvement in Nasal Obstruction Symptom Evaluation (NOSE) Scale scores from baseline to 3 months postprocedure. A subset of study patients underwent computed tomography (CT) imaging to evaluate posttreatment changes in SSB size.

Results

Mean NOSE Scale scores significantly improved from 73.5 (SD 14.2) at baseline to 27.9 (SD 17.2) at 3 months postprocedure, a reduction of −45.3 (SD 21.4, 95% confidence interval [CI]: −50.4 to −40.1; p < 0.0001); the responder rate was 95.7% (95% CI: 0.88 to 0.99; p < 0.0001). CT evaluation at 3 months showed statistically significant reductions in the SSB with the greatest reduction in the middle thickness (mean change −3.4 [SD 1.8] mL, 95% CI: −4.0 to −2.8; p < 0.0001). Minimal adverse events with any relationship to the device or procedure were reported; none were serious in nature and no septal perforations occurred.

Conclusions

This study demonstrates that TCRF treatment of SSB hypertrophy is well tolerated and effective at reducing both SSB size and symptoms of NAO at 3 months posttreatment.
Branched Multimeric Peptides as Affinity Reagents for the Detection of α‐Klotho Protein
Authors: Ye Xiyun , Zhang Peiyuan , Wang John C. K. , Smith Corey L. , Sousa Silvino , Loas Andrei , Eaton Dan L. , Preciado López Magdalena , Pentelute Bradley L.
Published: March 2023

α‐Klotho, an aging‐related protein found in the kidney, parathyroid gland, and choroid plexus, acts as an essential co‐receptor with the fibroblast growth factor 23 receptor complex to regulate serum phosphate and vitamin D levels. Decreased levels of α‐Klotho are a hallmark of age‐associated diseases. Detecting or labeling α‐Klotho in biological milieu has long been a challenge, however, hampering the understanding of its role. Here, we developed branched peptides by single‐shot parallel automated fast‐flow synthesis that recognize α‐Klotho with improved affinity relative to their monomeric versions. These peptides were further shown to selectively label Klotho for live imaging in kidney cells. Our results demonstrate that automated flow technology enables rapid synthesis of complex peptide architectures, showing promise for future detection of α‐Klotho in physiological settings.
Intramolecular Ynamide–Benzyne (3+2) Cycloadditions
Authors: Tawatari Tsukasa , Kato Ritsuki , Kudo Riku , Takasu Kiyosei , Takikawa Hiroshi
Published: March 2023

We report herein intramolecular (3+2) cycloaddition reactions between ynamides as three‐atom components and benzyne. In these intramolecular reactions, the two‐bond formation is realized by exploiting benzyne precursors that contain a chlorosilyl group as a linking functionality. This method thus highlights the ambivalent character of the intermediate indolium ylide, which exhibits both nucleophilic and electrophilic properties at its C2 atom.
Peripherally Heavy‐Atom‐Decorated Strategy Towards High‐Performance Pure Green Electroluminescence with External Quantum Efficiency over 40 %
Authors: Hu Yuxuan , Miao Jingsheng , Zhong Cheng , Zeng Yang , Gong Shaolong , Cao Xiaosong , Zhou Xue , Gu Yu , Yang Chuluo
Published: March 2023

Heavy‐atom integration into thermally activated delayed fluorescence (TADF) molecule could significantly promote the reverse intersystem crossing (RISC) process. However, simultaneously achieving high efficiency, small roll‐off, narrowband emission and good operational lifetime remains a big challenge for the corresponding organic light‐emitting diodes (OLEDs). Herein, we report a pure green multi‐resonance TADF molecule BN‐STO by introducing a peripheral heavy atom selenium onto the parent BN‐Cz molecule. The organic light‐emitting diode device based on BN‐STO exhibited state‐of‐the‐art performance with a maximum external quantum efficiency (EQE) of 40.1 %, power efficiency (PE) of 176.9 lm W−1, well‐suppressed efficiency roll‐off and pure green gamut. This work reveals a feasible strategy to reach a balance between fast RISC process and narrow full width at half maximum (FWHM) of MR‐TADF by heavy atom effect.
Science‐Driven Atomistic Machine Learning
Authors: Margraf Johannes T.
Published: March 2023

Machine learning (ML) algorithms are currently emerging as powerful tools in all areas of science. Conventionally, ML is understood as a fundamentally data‐driven endeavour. Unfortunately, large well‐curated databases are sparse in chemistry. In this contribution, I therefore review science‐driven ML approaches which do not rely on “big data”, focusing on the atomistic modelling of materials and molecules. In this context, the term science‐driven refers to approaches that begin with a scientific question and then ask what training data and model design choices are appropriate. As key features of science‐driven ML, the automated and purpose‐driven collection of data and the use of chemical and physical priors to achieve high data‐efficiency are discussed. Furthermore, the importance of appropriate model evaluation and error estimation is emphasized.
A Bayesian approach for subgroup analysis
Authors: Li Nan , Zhu Wensheng
Published: March 2023

Several penalization approaches have been developed to identify homogeneous subgroups based on a regression model with subject‐specific intercepts in subgroup analysis. These methods often apply concave penalty functions to pairwise comparisons of the intercepts, such that the subjects with similar intercept values are assigned to the same group, which is very similar to the procedure of the penalization approaches for variable selection. Since the Bayesian methods are commonly used in variable selection, it is worth considering the corresponding approaches to subgroup analysis in the Bayesian framework. In this paper, a Bayesian hierarchical model with appropriate prior structures is developed for the pairwise differences of intercepts based on a regression model with subject‐specific intercepts, which can automatically detect and identify homogeneous subgroups. A Gibbs sampling algorithm is also provided to select the hyperparameter and estimate the intercepts and coefficients of the covariates simultaneously, which is computationally efficient for pairwise comparisons compared to the time‐consuming procedures for parameter estimation of the penalization methods (e.g., alternating direction method of multiplier) in the case of large sample sizes. The effectiveness and usefulness of the proposed Bayesian method are evaluated through simulation studies and analysis of a Cleveland Heart Disease Dataset.
Role of fresh start mindset framing in reducing stigma and promoting mental health help‐seeking behavior
Authors: Lee Yoon‐Joo , Yoon Hye Jin , Joo Jinho
Published: March 2023

One challenge in promoting mental health help‐seeking behaviors is the masculine norm ingrained in the U.S. Using experimental data, this article examines how fresh start mindset (FSM) framing can be effective in helping reduce the stigma associated with mental health help‐seeking behaviors and increase the promotion of positive attitudes and word‐of‐mouth of the mental health messages among men (vs. women). This study uniquely reveals that FSM framing in mental health ad campaigns might help men switch from the mindset that mental health help‐seeking behaviors equate to showing weakness to one of help‐seeking behaviors as a fresh start. Further, this study demonstrates that males with high issue involvement levels and females with low issue involvement levels respond to FSM framing more favorably. Thus, issue involvement levels form the critical boundary conditions. The authors also reveal that attitudes toward the ads operate as an underlying mechanism in FSM framing effects on responses.
Selective Construction of Molecular Borromean Rings and [2]Catenane Utilizing Ether Bipyridyl Ligands
Authors: Yi Xin , Zhang Hai‐Ning , Lin Yue‐Jian , Jin Guo‐Xin
Published: March 2023

A series of Cp*Rh‐based discrete architectures was constructed by selecting four ether bipyridyl ligands and three half‐sandwich rhodium(III) bimetallic construction units, respectively. This study demonstrates a strategy for making the transition from a binuclear D‐shaped ring to a tetranuclear [2]catenane by adjusting the length of bipyridyl ligands. In addition, changing the position on the naphthyl group of the bipyridyl ligand from 2,6‐ to 1,5‐position substitution can realize the selective synthesis of [2]catenane and Borromean rings under similar conditions. The above‐mentioned constructions have been determined via X‐ray crystallographic analysis, detailed NMR techniques, electrospray ionization‐time‐of‐flight/mass spectrometry analysis, and elemental analysis.
Searching and Navigating UniProt Databases
Authors: Lussi Yvonne C. , Magrane Michele , Martin Maria J. , Orchard Sandra ,   The UniProt Consortium
Published: March 2023

The Universal Protein Resource (UniProt) is a comprehensive resource for protein sequence and annotation data. The UniProt website receives about 800,000 unique visitors per month and is the primary means to access UniProt. It provides 10 searchable datasets and four main tools. The key UniProt datasets are the UniProt Knowledgebase (UniProtKB), the UniProt Reference Clusters (UniRef), the UniProt Archive (UniParc), and protein sets for completely sequenced genomes (Proteomes). Other supporting datasets include information about proteins that is present in UniProtKB protein entries, such as literature citations, taxonomy, and subcellular locations, among others. This article focuses on how to use UniProt datasets. The first basic protocol describes navigation and searching mechanisms for the UniProt datasets, and two additional protocols build on the first protocol to describe advanced search and query building. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Searching UniProt datasets

Basic Protocol 2: Advanced search and query building

Basis Protocol 3: Adding parameters using advanced search
Mammalian predators and vegetated nesting habitat drive reduced protected area nesting success of Kentish plovers, Yellow Sea region, China
Authors: Li Donglai , Bai Yu , Lei Weipan , Que Pinjia , Liu Yang , Pagani‐Núñez Emilio , Lloyd Huw , Zhang Zhengwang
Published: March 2023

Protected areas provide essential habitats for wildlife by conserving natural and semi‐natural habitats and reducing human disturbance. However, whether breeding birds vulnerable to nest predation can benefit from strict land management in the protected area is unclear. Here, we compare the nesting performance of two groups of a ground‐nesting shorebird, the Kentish plover (Charadrius alexandrinus), in the protected area (Liaohekou Natural Reserve, hereinafter PA), and the control non‐protected area (non‐PA) around the Liaohekou Natural Reserve, in the north of the Yellow Sea, China, and identify which environmental factors, such as nesting habitat and nest materials, influence the daily nest survival rate (DSR). We found similar nesting habitats in both study areas, dominated by bare land or Suaeda salsa grassland. However, DSR was lower in PA (0.91 ± 0.01) than in non‐PA (0.97 ± 0.01). Kentish plovers nesting in areas with vegetation cover experienced lower DSR than in bare lands in both areas, and nests built with materials of S. salsa sticks had the lowest DSR in the bare land. Data from infrared cameras confirmed relatively higher predator abundances and nest predation rates by nocturnal mammals, such as Eurasian badgers (Meles meles), in PA than in non‐PA, and this pattern was especially evident for plover nests located in S. salsa grassland. Our results suggest that Liaohekou Natural Reserve protected area may not necessarily provide safe nesting sites for Kentish plovers due to the abundance of generalist mammal nest predators. However, the PA includes about 80% of the nests from both locations. This means the contribution of the total number of successful nests continues to be much higher within PA, with the benefit for the species that this brings in terms of conservation. The variation and mechanisms underlying differences in the nest predator communities of PA and non‐PA deserve further study.
Prognostic role of pulmonary impedance estimation to predict right ventricular dysfunction in pulmonary hypertension
Authors: Hungerford Sara Louise , Kearney Katherine , Song Ning , Bart Nicole , Kotlyar Eugene , Lau Edmund , Jabbour Andrew , Hayward Christopher Simon , Muller David William Marshall , Adji Audrey
Published: March 2023

Background

The effect of pulmonary hypertension (PH) on right ventricular (RV) afterload is commonly defined by elevation of pulmonary artery (PA) pressure or pulmonary vascular resistance (PVR). In humans however, one‐third to half of the hydraulic power in the PA is contained in pulsatile components of flow. Pulmonary impedance (Zc) expresses opposition of the PA to pulsatile blood flow. We evaluate pulmonary Zc relationships according to PH classification using a cardiac magnetic resonance (CMR)/right heart catheterization (RHC) method.

Methods

Prospective study of 70 clinically indicated patients referred for same‐day CMR and RHC [60 ± 16 years; 77% females, 16 mPAP <25 mmHg (PVR <240 dynes.s.cm−5/mPCWP <15 mmHg), 24 pre‐capillary (PrecPH), 15 isolated post‐capillary (IpcPH), 15 combined pre‐capillary/post‐capillary (CpcPH)]. CMR provided assessment of PA flow, and RHC, central PA pressure. Pulmonary Zc was expressed as the relationship of PA pressure to flow in the frequency domain (dynes.s.cm−5).

Results

Baseline demographic characteristics were well matched. There was a significant difference in mPAP (P < 0.001), PVR (P = 0.001), and pulmonary Zc between mPAP<25 mmHg patients and those with PH (mPAP <25 mmHg: 47 ± 19 dynes.s.cm−5; PrecPH 86 ± 20 dynes.s.cm−5; IpcPH 66 ± 30 dynes.s.cm−5; CpcPH 86 ± 39 dynes.s.cm−5; P = 0.05). For all patients with PH, elevated mPAP was found to be associated with raised PVR (P < 0.001) but not with pulmonary Zc (P = 0.87), except for those with PrecPH (P < 0.001). Elevated pulmonary Zc was associated with reduced RVSWI, RVEF, and CO (all P < 0.05), whereas PVR and mPAP were not.

Conclusions

Raised pulmonary Zc was independent of elevated mPAP in patients with PH and more strongly predictive of maladaptive RV remodelling than PVR and mPAP. Use of this straightforward method to determine pulmonary Zc may help to better characterize pulsatile components of RV afterload in patients with PH than mPAP or PVR alone.
The impact of heart failure therapy in patients with mildly reduced ejection fraction: a network meta‐analysis
Authors: Leite Marta , Sampaio Francisco , Saraiva Francisca A. , Diaz Sílvia O. , Barros António S. , Fontes‐Carvalho Ricardo
Published: March 2023

Background

Recent heart failure (HF) guidelines have re‐classified HF patients with left ventricular ejection fraction (LVEF) between 41% and 49% as HF with mildly reduced ejection fraction (HFmrEF). HFmrEF treatment is often considered a grey zone as no randomized controlled trials (RCTs) were conducted exclusively on these patients.

Aims

A network meta‐analysis (NMA) was performed to compare treatment effect of mineralocorticoid receptor antagonists (MRA), angiotensin receptor neprilysin inhibitor (ARNi), angiotensin receptor blockers (ARB), angiotensin‐converting‐enzyme inhibitors (ACEi), sodium‐glucose cotransporter‐2 inhibitors (SGLT2i), and beta‐blockers (BB) in HFmrEF cardiovascular (CV) outcomes.

Methods and results

RCTs sub‐analyses evaluating the efficacy of pharmacological treatment in HFmrEF patients were searched. Hazard ratios (HRs) and their variance were extracted from each RCT for (i) composite of CV death or HF hospitalizations, (ii) CV death, and (iii) HF hospitalizations. A random‐effects NMA was performed to compare and assess the treatment efficiency. Six RCTs with subgroup analysis according to participants' ejection fraction, a patient‐level pooled meta‐analysis of two RCTs, and an individual patient‐level analysis of eleven BB RCTs were included, totalling 7966 patients. To our primary endpoint, SGLT2i vs. placebo was the only comparison with significant results, with a 19% risk reduction in the composite of CV death or HF hospitalizations [HR 0.81, 95% confidence interval (CI) 0.67–0.98]. In HF hospitalizations, the impact of the pharmacological therapies was more notorious, and ARNi reduced in 40% the risk of HF hospitalizations (HR 0.60, 95% CI 0.39–0.92), SGLT2i in 26% (HR 0.74, 95% CI 0.59–0.93) and renin–angiotensin system inhibition (RASi) with ARB and ACEi in 28% (HR 0.72, 95% CI 0.53–0.98). Although BBs were globally less beneficial, they were the only class that supported a reduced risk of CV death (HR vs. placebo: 0.48, 95% CI 0.24–0.95). We did not observe a statistically significant difference in any comparison between active treatments. There was a sound reduction with ARNi on the primary endpoint (HR vs. BB: 0.81, 95% CI 0.47–1.41; HR vs. MRA 0.94, 95% CI 0.53–1.66) and on HF hospitalizations (HR vs. RASi 0.83, 95% CI 0.62–1.11; HR vs. SGLT2i 0.80, 95% CI 0.50–1.30).

Conclusions

In addition to SGLT2i, pharmacological treatment recommended for HF with reduced LVEF, namely, ARNi, MRA, and BB, can also be effective in HFmrEF. This NMA did not show significant superiority over any pharmacological class.
Copper‐Catalyzed 1,4‐Addition of a Silicon Nucleophile to Azadienes
Authors: Chu Wen‐Dao , Wang Chun‐Mei , Zhan Jie , Zeng Ya‐Li , Liu Yong , Chen Bo , Zhang Kaiming , He Cheng‐Yu , Liu Quan‐Zhong
Published: March 2023

Copper‐catalyzed 1,4‐addition of a silicon nucleophile to azadienes is reported. This method facilely provided a wide variety of dibenzylic silane derivatives in good to excellent yields. The important practical features are the use of a cheap catalytic system, mild reaction conditions, and broad substrate scope.
Partner with admissions to address student concerns
Authors: Hamblet Elizabeth C.
Published: March 2023

Over the past year, I've revised my book for parents, high school educators, and other related professionals on how to prepare students with disabilities for successful college transition (Seven Steps to College Success: A Pathway for Students with Disabilities, 3rd Edition.) Throughout that process, and in two years running an online community for parents focused on transition issues, as well as more than a decade of making presentations around the country, I've seen how much families don't know, misunderstand, or have been misinformed about the postsecondary environment. In my next three columns, I'll discuss what I've learned and suggest ways for you to provide information so that everyone has a better experience with the transition process.
The phenotypic and genotypic spectrum of epilepsy and intellectual disability in adults: Implications for genetic testing
Authors: von Brauchitsch Sophie , Haslinger Denise , Lindlar Silvia , Thiele Holger , Bernsen Natalie , Zahnert Felix , Reif Philipp S. , Balcik Yunus , Au Ping Yee Billie , Josephson Colin B. , Altmüller Janine , Strzelczyk Adam , Knake Susanne , Rosenow Felix , Chiocchetti Andreas , Klein Karl Martin
Published: March 2023

Objective

The phenotypic and genotypic spectrum of adult patients with epilepsy and intellectual disability (ID) is less clear than in children. We investigated an adult patient cohort to further elucidate this and inform the genetic testing approach.

Methods

Fifty‐two adult patients (30 male, 22 female) with epilepsy, at least mild ID and no known genetic or acquired cause were included and phenotyped. Variants identified through exome sequencing were evaluated using ACMG criteria. Identified variants were compared with commercially available gene panels. Cluster analysis of two features, age at seizure onset and age at ascertainment of cognitive deficits, was performed.

Results

Median age was 27 years (range 20‐57 years) with median seizure onset at 3 years and median ascertainment of cognitive deficits at 1 year. Likely pathogenic/pathogenic variants were identified in 16/52 patients (31%) including 14 (27%) single nucleotide variants and 2 (4%) copy number variants. Simulated yield of commercial gene panels varied between 13% in small (≤144 genes) and 27% in large panels (≥1478 genes).

Cluster analysis (optimal number 3 clusters) identified a cluster with early seizure onset and early developmental delay (developmental and epileptic encephalopathy, n = 26), a cluster with early developmental delay but late seizure onset (ID with epilepsy, n = 16) and a third cluster with late ascertainment of cognitive deficits and variable seizure onset (n = 7). The smaller gene panels particularly missed the genes identified in the cluster with early ascertainment of cognitive deficits and later onset of epilepsy (0/4) as opposed to the cluster with developmental and epileptic encephalopathy (7/10).

Significance

Our data indicates that adult patients with epilepsy and ID represent a heterogeneous cohort that includes grown‐up patients with DEE but also patients with primary ID and later onset of epilepsy. To maximize diagnostic yield in this cohort either large gene panels or exome sequencing should be used.
African Jointfir (Gnetum africanum) and Editan (Lasianthera africana) leaf alkaloid extracts exert antioxidant and anticholinesterase activities in fruit fly (Drosophila melanogaster)
Authors: Oboh Ganiyu , Atoki Ayomide Victor , Ademiluyi Adedayo O. , Ogunsuyi Opeyemi B.
Published: March 2023

African Jointfir (Gnetum africanum) and Editan (Lasianthera africana) leaves are two leafy green veggies with several nutritional and medicinal properties. Alzheimer's disease (AD) is a form of neurodegeneration that is believed to cause dementia in affected individuals. The quest for alternative treatments has necessitated the exploitation of plants' secondary metabolites. Plant alkaloids have recently demonstrated relevance in the management of a variety of neurodegenerative disorders; although there is limited information on the neuroprotective properties of alkaloids from various tropical green leafy vegetables with neuroprotective potentials. As a result, this study examined the cholinesterase inhibitory activity and antioxidant potential of alkaloid extracts from the leaves of African Jointfir (G. africanum) and Editan (L. africana). Standard solvent extraction techniques were used to prepare alkaloid extracts. After that, these extracts were characterized using high‐performance liquid chromatography. In vitro acetylcholinesterase inhibition assay for the extracts was also carried out. Subsequently, the alkaloid extracts were included in the diets of these flies (2 and 10 μg/g) for 7 days. Thereafter, treated fly homogenates were assayed for cholinesterase, monoamine oxidase, and antioxidant enzymes (specifically, glutathione‐S‐transferase catalase, and superoxide dismutase) activities, in addition, thiobarbituric acid reactive substance, reactive oxygen species, and total thiol contents. The extracts showed considerable anticholinesterase, antioxidant, and antimonoamine oxidase capabilities, according to the study's findings. Also, HPLC characterization revealed that desulphosinigrin (597,000 ng/100 g) and atropine (44,200 ng/100 g) are the predominating phytochemicals in Editan and African Jointfir respectively. These extracts could serve as potential sources of nutraceuticals with neuroprotective properties which can be used in the treatment/management of Alzheimer's disease.
Improving effect of soy whey‐derived peptide on the quality characteristics of functional yogurt
Authors: Mashayekh Fatemeh , Pourahmad Rezvan , Eshaghi Mohammad Reza , Akbari‐Adergani Behrouz
Published: March 2023

The purpose of this research was to investigate the effect of bioactive peptides isolated from soy whey on the physicochemical, sensory, and microbiological characteristics of yogurt during storage. Trypsin was utilized to hydrolyze soy whey protein at 45°C for 4 h. Then, the resulting protein hydrolysate was fractionated using reversed phase‐high performance liquid chromatography (RP‐HPLC). Since the F7 fraction showed the best antioxidant and antibacterial capabilities, different levels (6.5, 13, and 17 mg/mL) of this peptide fraction were added to yogurt. A control sample (without the bioactive peptide) was also prepared. Yogurt samples were stored for 3 weeks. With the increase in peptide concentration, the antioxidant activity of yogurt increased while viscosity and syneresis decreased (p < .05). During storage, yogurt acidity, syneresis, and viscosity increased while pH and antioxidant activity declined (p < .05). The addition of bioactive peptide reduced the quantity of Escherichia coli and Staphylococcus aureus bacteria in yogurt during storage (p < .05), and the reduction in bacterial quantity was stronger as the peptide content was increased. The sample containing the largest concentration of peptide (17 mg/mL) got the lowest overall acceptability score. The level of 13 mg/mL of the peptide was chosen as the best concentration for yogurt fortification in terms of overall acceptance and functional properties. Therefore, soy whey‐derived peptide can be utilized as a functional component as well as a natural preservative in yogurt.