bluuebunny/crossref_metadata_2025 huggingface dataset:
Self-construal in relation to gender differences and values orientation
Authors: Giri R S
Published: August 2022

The present study explored the pattern of self-construal in relation to gender differences and values orientation among Indian male and females. The results indicate that female participants were more predominant of independent self-construal as well as interdependent self-construal than male counterparts. This study also compared the self-construal of male and females by using the Twenty Statement Test (TST).Self-statements were analysed in terms of five main categories (social identity, ideological beliefs, interest, ambitions and self-evaluation) and three others categories (private self, collective self and public self). Results indicated differential use of the main categories by male and females. Female participants score significantly higher on main categories of TST for collective self, public self, social identity and ambitions than their male counterparts while males scored significantly higher on private self, ideological beliefs and interests than females. In the context of values orientation, females scored significantly higher on religious value, democratic values than male counterparts while male scored significantly higher on hedonistic values and health values than their female counterparts. The present study was also analysed in terms of grade perspectives. It was found that there is no close polarization either in favour of independent and interdependent modes of self-construal at grade level. Finding also indicates that 12th grade participants scored significantly higher on main categories of TST for collective self, public self, social identities and ambitions than undergraduate participants while undergraduate participants scored significantly higher on private self, ideological beliefs and self-evaluations than 12th grade participants. Some categories of self-construal are positively related with some personal values while some are negatively related.
Association of Maternal Antipsychotic Prescription During Pregnancy With Standardized Test Scores of Schoolchildren in Denmark
Authors: Liu Xiaoqin , Trabjerg Betina Bitsch , Munk-Olsen Trine , Christensen Jakob , Dreier Julie Werenberg
Published: August 2022

Importance

An increasing number of individuals fill antipsychotic prescriptions during pregnancy, and concerns have been raised about prenatal antipsychotic exposure on neurodevelopmental outcomes.

Objective

To examine whether maternal prescription fill for antipsychotics during pregnancy was associated with performance in standardized tests among schoolchildren.

Design, Setting, and Participants

This register-based cohort study included 667 517 children born in Denmark from January 1, 1997, to December 31, 2009, and who were attending public primary and lower secondary school. All children had completed at least 1 language (Danish) or mathematics test as part of the Danish National School Test Program between 2010 and 2018. Data were analyzed from November 1, 2021, to March 31, 2022.

Exposures

Antipsychotic prescriptions filled by pregnant individuals were obtained from the Danish National Prescription Register.

Main Outcomes and Measures

Differences in standardized test scores (range, 1-100; higher scores indicate better test results) in language and mathematics between children of mothers with and without antipsychotic prescription fills during pregnancy were estimated using linear regression models. Seven sensitivity analyses, including a sibling-controlled analysis, were performed.

Results

Of the 667 517 children included (51.2% males), 1442 (0.2%) children were born to mothers filling an antipsychotic prescription during pregnancy. The mean (SD) age of children at the time of testing spanned from 8.9 (0.4) years in grade 2 to 14.9 (0.4) years in grade 8. Maternal prescription fill for antipsychotics was not associated with performance in language (crude mean test score: 50.0 [95% CI, 49.1-50.9] for the exposed children vs 55.4 [95% CI, 55.4-55.5] for the unexposed children; adjusted difference, 0.5 [95% CI, −0.8 to 1.7]) or in mathematics (crude mean test score: 48.1 [95% CI, 47.0-49.3] for the exposed children vs 56.1 [95% CI, 56.1-56.2] for the unexposed children; adjusted difference, 0.4 [95% CI, −1.0 to 1.8]). There was no evidence that results were modified by the timing of filling prescriptions, classes (first-generation and second-generation) of antipsychotics, or the most commonly prescribed antipsychotic monotherapies, including chlorprotixene, flupentixol, olanzapine, zuclopenthixol, quetiapine, perphenazine, and methotrimeprazine. The results remained robust across sensitivity analyses, including sibling-controlled analyses, negative control exposures analyses, and probabilistic bias analyses.

Conclusions and Relevance

In this register-based cohort study, maternal prescription fill for antipsychotics during pregnancy did not appear to be associated with standardized test scores in the offspring. The findings provide further reassuring data on offspring neurodevelopmental outcomes associated with antipsychotic treatment during pregnancy.
Adult-Onset Genetic Central Nervous System Disorders Masquerading as Acquired Neuroinflammatory Disorders
Authors: Ayrignac Xavier , Carra-Dallière Clarisse , Marelli Cecilia , Taïeb Guillaume , Labauge Pierre
Published: August 2022

Importance

Adult-onset genetic disorders may present with clinical and magnetic resonance imaging (MRI) features suggestive of acquired inflammatory diseases. An ever-growing number of potentially treatable adult-onset genetic neuroinflammatory disorders have been described in the past few years that need to be rapidly identified.

Observations

Adult-onset acquired neuroinflammatory disorders encompass a large group of central nervous system (CNS) diseases with varying presentation, MRI characteristics, and course, among which the most common is multiple sclerosis. Despite recent progress, including the discovery of specific autoantibodies, a significant number of adult-onset neuroinflammatory disorders with progressive or relapsing course still remain without a definite diagnosis. In addition, some patients with genetic disorders such as leukodystrophies, hemophagocytic lymphohistiocytosis, or genetic vasculopathies can mimic acquired neuroinflammatory disorders. These genetic disorders, initially described in pediatric populations, are increasingly detected in adulthood thanks to recent progress in molecular genetics and the larger availability of high-throughput sequencing technologies.

Conclusions and Relevance

Genetic adult-onset neuroinflammatory diseases are at the border between primary CNS inflammatory diseases and systemic disorders with multiorgan involvement and predominantly neurologic manifestations. Neurologists must be aware of the main clues and red flags so they can confirm a diagnosis early, when some of these genetic disorders can be successfully treated.
Temporal trends in Black‐White disparities in cancer surgery and cancer‐specific survival in the United States between 2007 and 2015
Authors: Zhong Peijie , Yang Bo , Pan Feng , Hu Fang
Published: August 2022

Background

The American Society of Clinical Oncology (ASCO) has strived to address racial/ethnic disparities in cancer care since 2009. Surgery plays a pivotal role in cancer care; however, it is unclear whether and how racial/ethnic disparities in cancer surgery have changed over time.

Methods

This cohort study included 1,113,256 White and Black cancer patients across 9 years (2007–2015) using patient data extracted from the Surveillance, Epidemiology, and End Results (SEER)‐18 registries. Patient data were included from 2007 to adjust insurance status and by 2015 to obtain at least a 3‐year survival follow‐up (until 2018). The primary outcome was a surgical intervention. The secondary outcomes were the use of (neo)adjuvant chemotherapy and cancer‐specific survival (CSS). Adjusted associations of the race (Black/White) with the outcomes were measured in each cancer type and year.

Results

The gap between surgery rates for Black and White patients narrowed overall, from an adjusted odds ratio (aOR) of 0.621 (0.592–0.652) in 2007 to 0.734 (0.702–0.768) in 2015. However, the racial gap persisted in the surgery rates for lung, breast, prostate, esophageal, and ovarian cancers. In surgically treated patients with lymph node metastasis, Black patients with colorectal cancer (CRC) were less likely to receive (neo)adjuvant chemotherapy than White patients. Black patients undergoing surgery were more likely to have a worse CSS rate than White patients undergoing surgery. In breast cancer patients, the overall trend was narrow, but continuously present, with an adjusted hazard ratio (aHR) of 1.224 (1.278–1.173) in 2007 and 1.042 (1.132–0.96) in 2015.

Conclusions

Overall, progress has been made toward narrowing the Black‐White gap in cancer surgical opportunity and survival. Future efforts should be directed toward those specific cancers for which the Black‐White gap continues. Additionally, it is worth addressing the Black‐White gap regarding the use of (neo)adjuvant chemotherapy for CRC treatment.
Survival benefits of primary tumor surgery for synchronous brain metastases: A SEER‐based population study with propensity‐matched comparative analysis
Authors: Zhang Chengkai , Zhang Yuan , Li Deling , Jia Wang
Published: August 2022

Background

Evidence about the prognostic value of primary tumor surgery (PTS) in patients with brain metastatic malignancies is ambiguous and controversial. This study assessed the survival benefits of primary tumor surgery in patients with brain metastases (BMs).

Methods

Adults patients with BMs that originated from lung, breast, kidney, skin, colon, and liver diagnosed between 2010 and 2018 were derived from the Surveillance, Epidemiology, and End Results database (SEER). Propensity score matching (PSM) was used to balance the bias between patients with or without PTS. Then the prognostic value of PTS was estimated by Kaplan–Meier analysis and Cox proportional hazard regression models.

Results

A total of 32,760 patients with BMs secondary to non‐small cell lung cancer (NSCLC), small cell lung cancer (SCLC), breast cancer, renal cancer, melanoma, colorectal cancer, and liver cancer were identified from the database. After PSM at 1:1 ratio, PTS appeared to significantly prolong cause‐specific survival (CSS) time for patients with BMs secondary to NSCLC, breast cancer, renal cancer, and colorectal cancer (hazard ratio [HR] = 0.60 [0.53–0.68], 0.56 [0.43–0.73], 0.47 [0.37–0.60], and 0.59 [0.37–0.95], respectively, all p < 0.05). Patients with earlier T and N classifications, no extracranial metastasis, and cancer‐specific subtypes (adenocarcinoma in NSCLC, hormone receptor‐negative breast cancer) may derive more survival benefits from PTS when suffering from BMs.

Conclusion

This population‐based study supported PTS could provide survival benefits for patients with BMs secondary to NSCLC, breast cancer, renal cancer, and colorectal cancer. More emphasis should be put on PTS of selected patients with BMs.
Molecular Modelling and Atomistic Insights into the Binding Mechanism of MmpL3 Mtb
Authors: Kwofie Samuel K. , Hanson George , Sasu Henrietta , Enninful Kweku S. , Mensah Francis A. , Nortey Richmond T. , Yeboah Omane P. , Agoni Clement , Wilson Michael D.
Published: August 2022

Mycobacterial membrane proteins Large (MmpLs), which belong to the resistance, nodulation, and division (RND) protein superfamily, play critical roles in transporting polymers, lipids, and immunomodulators. MmpLs have become one of the important therapeutic drug targets to emerge in recent times. In this study, two homology modelling techniques, Modeller and SWISS‐MODEL, were used in modelling the three‐dimensional protein structure of the MmpL3 of Mycobacterium tuberculosis using that of M. smegmatis as template. MmpL3 inhibitors, namely BM212, NITD304, SPIRO, and NITD349, in addition to the co‐crystalized ligands AU1235, ICA38, SQ109 and rimonabant, were screened against the modelled structure and the Mmpl3 of M. smegmatis using molecular docking techniques. Protein‐ligand interactions were analysed using molecular dynamics simulations and Molecular Mechanics Poisson‐Boltzmann surface area computations. Novel residues Gln32, Leu165, Ile414, and Phe35 were identified as critical for binding to M. tuberculosis MmpL3, and conformational dynamics upon inhibitor binding were discussed.
X‐linked hypophosphatemic rickets: Case report of late diagnosis and bone pain improvement with targeted treatment
Authors: Bermeo Cabrera Marcia Janneth , Ordoñez Chacha Pablo Roberto , Reza‐Albarrán Alfredo Adolfo , Ordoñez Chacha Ana Karina , Acero Marcy Acosta , Rodas Serrano Agustin
Published: August 2022

X‐linked hypophosphatemia (XLH) is a rare disexase in which patients present with severe bowing of the legs, joint pain, and mobility problems. XLH has major adverse repercussions on the quality of life.
Primary hypothyroidism resolves after switching from L‐thyroxine solid tablets to liquid oral substitution. A rare case without evidence of an underlying gastrointestinal malabsorption syndrome
Authors: Stupperich Sophie , Kotliarevskaia Jessica , Nies Reinhold , Paparoupa Maria , Wittig Andreas , Schuppert Frank
Published: August 2022

A case of refractory primary hypothyroidism is presented. Despite laboratory‐guided hormonal substitution, the patient remained hypothyroid. Multiple diagnostic tests ruled out all known causes of levothyroxine malabsorption. Interestingly, clinical and laboratory responding was promptly achieved, after switching the application format from solid tablets to liquid formula.
Clustering‐based routing protocol using gray wolf optimization and technique for order of preference by similarity to ideal solution algorithms in the vehicular ad hoc networks
Authors: Kheradmand Behbod , Ghaffari Ali , Soleimanian Gharehchopogh Farhad , Masdari Mohammad
Published: August 2022

In a vehicular ad‐hoc network (VANET), each vehicle is equipped with an on‐board unit to communicate vehicle to vehicle or vehicle to fixed infrastructure. VANET technology is offered to provide many facilities to passengers and drivers, including safety, entertainment, mobile commerce, driver assistance, and emergency alarms. VANET has unique features such as high‐speed node mobility and network topology dynamics. These special features cause many problems such as increased transmission delays and packet loss. On the other hand, providing a good routing plan for VANET is a critical issue. Therefore, this article proposes a cluster‐based routing using in‐vehicle meta‐heuristic algorithms (CRMHA‐VANET) which has two phases. In the first stage, the vehicles are clustered and the most suitable cluster head (CH) is selected using the gray wolf optimization algorithm (GWO). In the next step, the next suitable CH is selected for data transmission in direct paths using the technique for order of preference by similarity to ideal solution (TOPSIS). The performance of the proposed method is analyzed through several criteria such as package delivery rate, end‐to‐end delay and throughput. CRMHA‐VANET results in a 10% to 25% improvement over all performance metrics, that is, packet delivery rate, latency, and throughput, over CRBP (clustering routing based on PSO [particle swarm optimization]), WCV (weight based clustering for VANET), and AODV‐CD methods.
Experimental study on shock‐shock interaction over double wedge controlled by surface arc plasma array
Authors: Kong Yakang , Li Jun , Wu Yun , Liang Hua , Guo Shanguang , Yang Hesen
Published: August 2022

The Mach 8 hypersonic shock‐shock interaction (SSI) over a double wedge controlled by the improved high‐energy surface arc discharge array (H‐SADA) have been investigated with high‐speed schlieren imaging. The H‐SADA with 10 actuators is installed on the first wedge to deposit energy into the hypersonic flow. In the hypersonic double wedge flow, the arrays of blast wave and thermal bubble induced by H‐SADA successively develop into a bump virtual profile and a wedge virtual profile, and the former makes complex SSI structure evolve into a bow shock, the latter makes it evolve into an oblique shock. Under the control of single discharge pulse, the disappearance process and the reconstruction process of SSI structure occur successively, and the whole process lasts for 0.2 ms. The H‐SADA works stably at frequency of 500 Hz in hypersonic flow, and there is little difference in the control process of each pulse, which means that the SSI structure disappears for 0.2 ms every 2 ms.
High‐throughput dielectrophoretic separator based on printed circuit boards
Authors: Giesler Jasper , Weirauch Laura , Thöming Jorg , Baune Michael , Pesch Georg R.
Published: August 2022

The separation of particles with respect to their intrinsic properties is an ongoing task in various fields such as biotechnology and recycling of electronic waste. Especially for small particles in the lower micrometer or nanometer range, separation techniques are a field of current research since many existing approaches lack either throughput or selectivity. Dielectrophoresis (DEP) is a technique that can address multiple particle properties, making it a potential candidate to solve challenging separation tasks. Currently, DEP is mostly used in microfluidic separators and thus limited in throughput. Additionally, DEP setups often require expensive components, such as electrode arrays fabricated in the clean room. Here, we present and characterize a separator based on two inexpensive custom‐designed printed circuit boards (80 × 120 mm board size). The boards consist of interdigitated electrode arrays with m electrode width and spacing. We demonstrate the separation capabilities using polystyrene particles ranging from 500 nm to m in monodisperse experiments. Further, we demonstrate selective trapping at flow rates up to 240 ml/h in the presented device for a binary mixture. Our experiments demonstrate an affordable way to increase throughput in electrode‐based DEP separators.
Structural and palynomorph evidence for Early Palaeogene‐Neogene conglomerate series in Peninsular Malaysia: Implication for basin development and tectonic history
Authors: Mahmud Noor Liana , Sautter Benjamin
Published: August 2022

Rifting initiation and development in Western Sundaland is spectacularly synchronous and diffuse spatially, with only one exception, the Malay Peninsula that appears as a large crustal horst, weakly deformed and thus isolated from the presently offshore stretched crust. Cenozoic stratigraphic records are limited onshore, with only isolated conglomeratic series that are keys to integrating the Malay Peninsula in the regional chronology of events. This study focuses on the Lawin and Chenderoh conglomeratic series, located in the Perak Valley, Peninsular Malaysia, that were previously interpreted as Late Tertiary to Quaternary in age, albeit without proper basin analysis and/or geochronological data. Through a GIS‐based kinematic analysis, we investigate the deformation affecting the basement rocks, while a field‐based study and palynomorph analysis were used to constrain the tectonic framework at the time of deposition of each conglomeratic series. Our findings reveal that the Lawin alluvial fan was deposited during an episode of E–W extension controlled by a N–S normal fault. The fan evolved from debris flow to sheet flooding depositional stages. The palynomorph study suggests a burial from the Pliocene onwards (<5 Ma) but older series are suspected at depth. From the Oligocene Chenderoh shale unit, a Miocene age of the conglomeratic series is inferred. Chenderoh conglomerate is believed to have developed within pre‐existing isolated depressions formed during regional transtensional events. Our study reveals that the Malay Peninsula was indeed affected by extension in the Late Palaeogene‐Early Neogene, but with low rates of subsidence as compared to rapidly subsiding offshore basins.
An efficient microwave‐assisted synthesis of novel quinolone–triazole and conazole–triazole hybrid derivatives as antimicrobial and anticancer agents
Authors: Uygun Cebeci Yildiz , Ceylan Sule , Karaoglu Sengul Alpay , Altun Muhammed
Published: August 2022

1,2,4‐Triazole‐fluoroquinolone and 1,2,4‐triazole–conazole hybrids are designed, synthesized, and investigated in vitro against a variety of common diseases. The structure of the newly synthesized compounds are characterized from spectral data (IR, 1H NMR, 13C NMR, and LC–MS). The antibacterial activity against both Gram‐positive and Gram‐negative bacteria is shown to be enhanced by many of the produced compounds. Also, some of the products are found to have strong antiproliferative effects aganist HeLa cervical cancer cells, whilst demonstrating cytotoxic effects toward normal cells.
Open‐source MR imaging and reconstruction workflow
Authors: Veldmann Marten , Ehses Philipp , Chow Kelvin , Nielsen Jon‐Fredrik , Zaitsev Maxim , Stöcker Tony
Published: August 2022

Purpose

This work presents an end‐to‐end open‐source MR imaging workflow. It is highly flexible in rapid prototyping across the whole imaging process and integrates vendor‐independent openly available tools. The whole workflow can be shared and executed on different MR platforms. It is also integrated in the JEMRIS simulation framework, which makes it possible to generate simulated data from the same sequence that runs on the MRI scanner using the same pipeline for image reconstruction.

Methods

MRI sequences can be designed in Python or JEMRIS using the Pulseq framework, allowing simplified integration of new sequence design tools. During the sequence design process, acquisition metadata required for reconstruction is stored in the MR raw data format. Data acquisition is possible on MRI scanners supported by Pulseq and in simulations through JEMRIS. An image reconstruction and postprocessing pipeline was implemented into a Python server that allows real‐time processing of data as it is being acquired. The Berkeley Advanced Reconstruction Toolbox is integrated into this framework for image reconstruction. The reconstruction pipeline supports online integration through a vendor‐dependent interface.

Results

The flexibility of the workflow is demonstrated with different examples, containing 3D parallel imaging with controlled aliasing in volumetric parallel imaging (CAIPIRINHA) acceleration, spiral imaging, and B0 mapping. All sequences, data, and the corresponding processing pipelines are publicly available.

Conclusion

The proposed workflow is highly flexible and allows integration of advanced tools at all stages of the imaging process. All parts of this workflow are open‐source, simplifying collaboration across different MR platforms or sites and improving reproducibility of results.
Study on characteristics of the electric‐field‐sensitive hydrogel inspired by jelly in the ampullae of Lorenzini of elasmobranchs
Authors: Ding Laiqian , Li Mingyang , Liu Chong , Zhou Zhanwei , Chen Jing , Chen Xueting , Chen Li , Li Jingmin
Published: August 2022

The elasmobranchs can sense the weak electric field signals of marine environment and other lives to adjust follow‐up activities by the jelly in their ampullae of Lorenzini, which provides a new research route for the development of ocean exploration, locating of underwater object, underwater navigation and communication. Inspired by such a characteristic of jelly, this paper presents a novel electric‐field‐sensitive hydrogel in response to weak electric field stimuli in surroundings. The hydrogel is made from I‐carrageenan (IC) and cellulose nanocrystals (CNCs) by the way of blending. The effects of CNCs on the performances of hydrogels have been investigated via the characterization of both IC/CNC blending hydrogel and pure IC hydrogel. Swelling experiments show that the equilibrium swelling ratio of hydrogel is positively related to the mass ratio of IC to CNCs. Electric field sensitivity experiments indicates that the IC/CNC blending hydrogel has a higher sensitivity than the pure IC hydrogel by comparing the bending angles of hydrogels under different electric fields, and the maximum bending angle, 0.5°, of blending hydrogel remains under the 1 mV/cm electric field. The blending hydrogel sensitive to weak electric field stimuli in this paper may provide an alternative strategy to develop intelligent response‐type materials for applications of efficient underwater sensors and actuators.
Effective policy mixes in entrepreneurial ecosystems: a configurational analysis in China
Authors: Wang Hongqi , Zhao Tianyi , Cooper Sarah Y. , Wang Shanshan , Harrison Richard T. , Yang Zhongji
Published: August 2022

Policy-makers are seeking to build vibrant entrepreneurial ecosystems (EEs) to promote innovative entrepreneurship. However, the role of government policy in EEs, especially in the emerging economy context, is poorly understood, lacking a systematic concept of policy and theoretical framework, clear policy classification, and empirical research considering distinctive characteristics of policy mixes in EEs. This paper introduces the concept of EE policy mixes and classifies them into seven policy instruments. Using data from 21 national high-tech zones (NHZs) in China, fuzzy-set qualitative comparative analysis (fsQCA) is applied to identify effective configurations of EE policy mixes that support early-stage and late-stage technology start-ups to produce high entrepreneurial performance. The configurational analysis shows that EE policy mixes present causal complexity and stage differences. Based on interpreting multiple policy interactions, we reveal the differentiated support mechanisms of EE policy mixes in NHZs and draw out their implications for research, policy, and practice. This study contributes to the EE literature by adopting a policy-mix perspective to examine the role of policy, exploring the specific emerging economy context of China, suggesting further extensions of the research to other contexts, and applying a methodology that reveals causal mechanisms. It also supports better-informed EE policy and governance.
Synovial fluid-inspired biomimetic lubricating microspheres: Zwitterionic polyelectrolyte brushes-grafted microgels
Authors: Liu Guoqiang , Feng Yang , Gao Xiaohua , Chen Zhuo , Zhao Nan , Zhou Feng , Liu Weimin
Published: August 2022

Synovial fluid is made up of various biomacromolecules, including hyaluronic acid, aggrecans, lubricins, and phosphatidylcholine lipid, which are assembled onto the surface of articular cartilage in a gel state. Among them, brush-like biomacromolecules or assemblies have a vital effect on human joint lubrication. Inspired by this, the combination of brush-like molecular structures and gel-like assembly may be an efficient approach for the synthesis of biomimetic lubricating matters. Learning from the lubrication system of human joints, poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC) brushes grafted poly(N-isopropylacrylamide-co-acrylic acid) (poly(NIPAAm-co-AA)) microgels, abbreviated as MBs-g-MGs, were synthesized as one kind of biomimetic lubricating additives. It is worth noting that this bionic strategy considered both molecular structure and assembled form, which enabled this hairy microgel to achieve low friction in aqueous medium. Meanwhile, the effective lubrication was still achieved when using MBs-g-MGs at high temperature, indicating that this microgel maintains a good lubricating effect over a wide range of temperature. In addition, this kind of microgel possessed good biocompatibility, which laid the foundation for potential biomedical applications. Looking beyond, these biomimetic microgels may provide an effective lubricating effect for water-based sliding interfaces, especially in biomedical systems.
Effects of daily functional acorn cake consumption on insulin resistance in individuals with obesity or overweight and the metabolic syndrome: a placebo-controlled randomised clinical trial
Authors: Mohammadi-Sartang Mohsen , Babajafari Siavash , Kohansal Atefeh , Rostami Hosein , Pourmahmoudi Azizollah , Sohrabi Zahra
Published: August 2022

The metabolic syndrome is a multi-factorial condition and functional foods need more investigation as novel adjunct treatments for this group. This study aimed to determine the effects of daily consumption of a functional acorn cake in conjunction with energy restriction (119.50 kJ) on individuals with overweight or obesity and the metabolic syndrome. In this randomised double-blinded study, eighty-four participants were randomly allocated to either an energy-restricted diet plus two servings (2 × 30 g)/d of functional acorn cake (a cake made of acorn for the intervention group) (FC) (n 42) or an energy-restricted diet plus placebo cake (PC) (n 42). Body composition and biochemical parameters were measured before and after 10 weeks of intervention. Seventy-three participants completed this trial. No differences in loss of body weight, waist circumference, fat mass, fasting blood glucose and blood pressure were shown between two groups. Body weight decreased by 4·2 (sd 1·9) kg and 5·1 (sd 2·8) kg in PC and FC groups, respectively. Compared with PC, the consumption of FC resulted in a significant reduction in serum insulin (P = 0·02), homoeostasis model assessment for insulin resistance (P = 0·02), high-sensitivity C-reactive protein (P = 0·04) and a significant increase in adiponectin concentration (P = 0·04). Although lipid metabolism did not differ among groups, total cholesterol and HDL-cholesterol improved non-significantly in the FC group. Functional acorn cake as an adjunct to energy restriction could possibly improve insulin resistance in individuals with obesity. Further research is needed to elucidate whether functional acorn cake can be used as a preventive strategy for the metabolic syndrome in individuals with obesity.
Evaluation and interpretation of latent class modelling strategies to characterise dietary trajectories across early life: a longitudinal study from the Southampton Women’s Survey
Authors: Dalrymple Kathryn V. , Vogel Christina , Godfrey Keith M. , Baird Janis , Hanson Mark A. , Cooper Cyrus , Inskip Hazel M. , Crozier Sarah R.
Published: August 2022

There is increasing interest in modelling longitudinal dietary data and classifying individuals into subgroups (latent classes) who follow similar trajectories over time. These trajectories could identify population groups and time points amenable to dietary interventions. This paper aimed to provide a comparison and overview of two latent class methods: group-based trajectory modelling (GBTM) and growth mixture modelling (GMM). Data from 2963 mother–child dyads from the longitudinal Southampton Women’s Survey were analysed. Continuous diet quality indices (DQI) were derived using principal component analysis from interviewer-administered FFQ collected in mothers pre-pregnancy, at 11- and 34-week gestation, and in offspring at 6 and 12 months and 3, 6–7 and 8–9 years. A forward modelling approach from 1 to 6 classes was used to identify the optimal number of DQI latent classes. Models were assessed using the Akaike and Bayesian information criteria, probability of class assignment, ratio of the odds of correct classification, group membership and entropy. Both methods suggested that five classes were optimal, with a strong correlation (Spearman’s = 0·98) between class assignment for the two methods. The dietary trajectories were categorised as stable with horizontal lines and were defined as poor (GMM = 4 % and GBTM = 5 %), poor-medium (23 %, 23 %), medium (39 %, 39 %), medium-better (27 %, 28 %) and best (7 %, 6 %). Both GBTM and GMM are suitable for identifying dietary trajectories. GBTM is recommended as it is computationally less intensive, but results could be confirmed using GMM. The stability of the diet quality trajectories from pre-pregnancy underlines the importance of promotion of dietary improvements from preconception onwards.
KBG syndrome: videoconferencing and use of artificial intelligence driven facial phenotyping in 25 new patients
Authors: Guo Lily , Park Jiyeon , Yi Edward , Marchi Elaine , Hsieh Tzung-Chien , Kibalnyk Yana , Moreno-Sáez Yolanda , Biskup Saskia , Puk Oliver , Beger Carmela , Li Quan , Wang Kai , Voronova Anastassia , Krawitz Peter M. , Lyon Gholson J.
Published: August 2022

Genetic variants in Ankyrin Repeat Domain 11 (ANKRD11) and deletions in 16q24.3 are known to cause KBG syndrome, a rare syndrome associated with craniofacial, intellectual, and neurobehavioral anomalies. We report 25 unpublished individuals from 22 families with molecularly confirmed diagnoses. Twelve individuals have de novo variants, three have inherited variants, and one is inherited from a parent with low-level mosaicism. The mode of inheritance was unknown for nine individuals. Twenty are truncating variants, and the remaining five are missense (three of which are found in one family). We present a protocol emphasizing the use of videoconference and artificial intelligence (AI) in collecting and analyzing data for this rare syndrome. A single clinician interviewed 25 individuals throughout eight countries. Participants’ medical records were reviewed, and data was uploaded to the Human Disease Gene website using Human Phenotype Ontology (HPO) terms. Photos of the participants were analyzed by the GestaltMatcher and DeepGestalt, Face2Gene platform (FDNA Inc, USA) algorithms. Within our cohort, common traits included short stature, macrodontia, anteverted nares, wide nasal bridge, wide nasal base, thick eyebrows, synophrys and hypertelorism. Behavioral issues and global developmental delays were widely present. Neurologic abnormalities including seizures and/or EEG abnormalities were common (44%), suggesting that early detection and seizure prophylaxis could be an important point of intervention. Almost a quarter (24%) were diagnosed with attention deficit hyperactivity disorder and 28% were diagnosed with autism spectrum disorder. Based on the data, we provide a set of recommendations regarding diagnostic and treatment approaches for KBG syndrome.
Portable electroanalytical nucleic acid amplification tests using printed circuit boards and open-source electronics
Authors: Toldrà Anna , Ainla Alar , Khaliliazar Shirin , Landin Roman , Chondrogiannis Georgios , Hanze Martin , Réu Pedro , Hamedi Mahiar M.
Published: August 2022

We have repurposed industrial, standard printed circuit boards (PCBs) for DNA sensing and integrated them with an open-source portable potentiostat. This work paves the way towards low cost, miniaturized electronic systems for on-site testing.
Fusing 10-vertex closo-carborane anions with N-heterocyclic carbenes
Authors: Tej Raviprolu Varun , McArthur Sarah E. , Banda Isaac , Gregory Aaron , McArthur Scott G. , Fisher Steven P. , Lavallo Vincent
Published: August 2022

Discovered by Knöth in 1964, the 10-vertex closo-carborane anion [HCB9H91−] is a classical bicapped square antiprism that contains an unusual pentacoordinate carbon center.
An approach for the pore-centred description of adsorption in hierarchical porous materials
Authors: Evans Jack D.
Published: August 2022

Analysis of metal–organic frameworks featuring hierarchical pore systems is presented and leveraged to understand adsorption in unique pore structures.
Collision-induced dissociation of Na+-tagged ketohexoses: experimental and computational studies on fructose
Authors: Huynh Hai Thi , Tsai Shang-Ting , Hsu Po-Jen , Biswas Anik , Phan Huu Trong , Kuo Jer-Lai , Ni Chi-Kung , Chiu Cheng-chau
Published: August 2022

Collision-induced dissociation of fructose is studied with experiments and first-principles kinetic modeling. The preference for dehydration cannot be easily predicted by the relative orientation of the OH groups as done for aldohexoses.
Photochemistry of phosphenic chloride (ClPO2): isomerization with chlorine metaphosphite (ClOPO) and reduction by carbon monoxide
Authors: Jiang Junjie , Zhu Bifeng , Jiang Xin , Lu Bo , Zeng Xiaoqing
Published: August 2022

The photochemistry of phosphenic chloride (ClPO2) including isomerization, decomposition, and CO-reduction reactions has been disclosed by combining matrix-isolation spectroscopy (IR and UV-vis) and quantum chemical calculations.
Acoustofluidic cell micro-dispenser for single cell trajectory control
Authors: Richard Cynthia , Devendran Citsabehsan , Ashtiani Dariush , Cadarso Victor J. , Neild Adrian
Published: August 2022

A surface acoustic wave micro-dispenser for the on-demand trap and release of single cells with trajectory control.
Stereoselective quantitative analysis of ranolazine in plasma and tissue samples: application in pharmacokinetics and tissue distribution studies
Authors: Zhu Yuanyuan , Zhang Hong , Ma Siman , Miao Lizhi , Jin Ge , Li Jiahui , Nuerkaman Tohutanguli , Sun Qiruo , Liu Yang , Yin Shiliang
Published: August 2022

This study aimed to develop a rapid and sensitive reversed-phase mode high-performance liquid chromatography-electrospray ionization coupled with a tandem mass spectrometry method for the simultaneous determination of ranolazine enantiomers in rat plasma and tissues.
(7,8-Dicarba-nido-undecaboran-7-yl)acetic acid: synthesis of individual enantiomers and the first example of the determination of the absolute configuration of chiral monosubstituted nido-carborane
Authors: Gruzdev Dmitry A. , Telegina Angelina A. , Chulakov Evgeny N. , Levit Galina L. , Krasnov Victor P.
Published: August 2022

Starting from achiral closo-carborane and using natural amino acid as chiral auxiliary, individual (RP)- and (SP)-enantiomers of C-monosubstituted nido-carboranes were obtained.
Correction: A morphology-dependent lattice stability investigation in ZnS nanostructures by high-pressure XAFS studies
Authors: Dong Qing , Li Shujia , Liu Ran , Liu Bo , Li Quanjun , Kim Jaeyong , Liu Bingbing
Published: August 2022

Correction for ‘A morphology-dependent lattice stability investigation in ZnS nanostructures by high-pressure XAFS studies’ by Qing Dong et al., J. Mater. Chem. C, 2022, https://doi.org/10.1039/d2tc02043b.
Differential roles and regulation of the protein kinases PAK4, PAK5 and PAK6 in melanoma cells
Authors: Murugesan Gavuthami , Prescott Alan R. , Toth Rachel , Campbell David G. , Wells Claire M. , MacKintosh Carol
Published: August 2022

The protein kinases PAK4, PAK5 and PAK6 comprise a family of ohnologues. In multiple cancers including melanomas PAK5 most frequently carries non-synonymous mutations; PAK6 and PAK4 have fewer; and PAK4 is often amplified. To help interpret these genomic data, initially we compared the cellular regulation of the sister kinases and their roles in melanoma cells. In common with many ohnologue protein kinases, PAK4, PAK5 and PAK6 each have two 14-3-3-binding phosphosites of which phosphoSer99 is conserved. PAK4 localises to the leading edge of cells in response to phorbol ester-stimulated binding of 14-3-3 to phosphoSer99 and phosphoSer181, which are phosphorylated by two different PKCs or PKDs. These phosphorylations of PAK4 are essential for its phorbol ester-stimulated phosphorylation of downstream substrates. In contrast, 14-3-3 interacts with PAK5 in response to phorbol ester-stimulated phosphorylation of Ser99 and epidermal growth factor-stimulated phosphorylation of Ser288; whereas PAK6 docks onto 14-3-3 and is prevented from localising to cell–cell junctions when Ser133 is phosphorylated in response to cAMP-elevating agents via PKA and insulin-like growth factor 1 via PKB/Akt. Silencing of PAK4 impairs viability, migration and invasive behaviour of melanoma cells carrying BRAFV600E or NRASQ61K mutations. These defects are rescued by ectopic expression of PAK4, more so by a 14-3-3-binding deficient PAK4, and barely by PAK5 or PAK6. Together these genomic, biochemical and cellular data suggest that the oncogenic properties of PAK4 are regulated by PKC–PKD signalling in melanoma, while PAK5 and PAK6 are dispensable in this cancer.
Ethische Aspekte in der Ernährungsmedizin
Authors: Weimann Arved
Published: August 2022

In einer Übersicht werden ethische Aspekte der medizinischen
Ernährungstherapie in der klinischen Praxis anhand der klassischen
Prinzipien der Bioethik von Beauchamp und Childress diskutiert:
„Respektierung der Autonomie, Nichtschädigung, Fürsorge
und Gerechtigkeit“. Eingeführt wird der Begriff der
„Ernährungsfürsorge“.
Enhancing organosilicon polymer-derived ceramic properties
Authors: Loughney Patricia A. , Mujib Shakir B. , Pruyn Timothy L. , Singh Gurpreet , Lu Kathy , Doan-Nguyen Vicky
Published: August 2022

Polymer-derived ceramic (PDC) nanocomposites enable access to a large library of functional properties starting from molecular design and incorporating nanofillers. Tailoring preceramic polymer (PCP) chemistry and nanofiller size and morphology can lead to usage of the nanocomposites in complex shapes and coatings with enhanced thermal and mechanical properties. A rational design of targeted nanocomposites requires an understanding of fundamental structure–property–performance relations. Thus, we tailor our discussions of PCP design and nanofiller integration into single source precursors as well as pyrolytic processing for functionalizing PDCs. We also discuss the promises and limitations of advanced characterization techniques such as 4D transmission electron microscopy and pair distribution functions to enable in situ mapping structural evolution. The feedback loop of in situ monitoring sets the foundation for enabling accelerated materials discovery with artificial intelligence. This perspective assesses the recent progress of PDC nanocomposite research nanocomposites and presents scientific and engineering challenges for synthesis, fabrication, processing, and advanced characterization of PDC nanocomposites for enhanced magnetic, electrical, and energy conversion and storage properties.
A liquid hydrogen tube moderator arrangement for SNS second target station
Authors: Gallmeier Franz X. , Remec Igor
Published: August 2022

Liquid hydrogen filled tubes arranged in a triangular shape surrounded by light-water premoderators were investigated as cold moderators coupled to a neutron production zone of a tungsten target fed by a 1.3 GeV proton beam in a short-pulse mode. A moderator concept optimized for the tube length, premoderator thickness, and target position was found to deliver the highest pulse-integrated neutron brightness suitable to send cold neutron beams for neutron scattering instrumentation geared toward medium resolution and small samples. Reducing the tube diameter from 50 to 10 mm boosts the cold neutron brightness (E < 10 meV) by a factor of 2.25, also with enhancements seen by downsizing the height of cylindrical moderators in earlier studies. Attempts were made to characterize this novel moderator system with regard to pulse shapes, local brightness distribution, and angular distribution of emission at the neutron emission port.
An empirical relationship for ionization coefficient for microscale gaps and high reduced electric fields
Authors: Wang Haoxuan , Venkattraman Ayyaswamy , Loveless Amanda M. , Buerke Cameron J. , Garner Allen L.
Published: August 2022

The importance of gas discharges for numerous applications with increasingly small device size motivates a more fundamental understanding of breakdown mechanisms. Gas breakdown theories for these gap sizes unify field emission with the Townsend avalanche, which depends on Townsend's first ionization coefficient α; however, the ratio of the electric field E to gas pressure p for microscale gas breakdown exceeds the range of validity for the typical empirical equation. While some studies have used particle-in-cell simulations to assess α in this range, they only examined a narrow range of experimental conditions. This work extends this approach to characterize ionization in microscale gaps for N2, Ar, Ne, and He for a broader range of pressure, gap distance d, and applied voltage V. We calculated α at steady state for 0.75≤d≤10μm and p = 190, 380, and 760 Torr. As expected, α/p is not a function of reduced electric field E/p for microscale gaps, where the electron mean free path is comparable to d and E/p is high at breakdown. For d<2μm, α/p scales with V and is independent of p. For d>10μm, α/p approaches the standard empirical relationship for E/p≲1000VTorr−1cm−1 and deviates at higher levels because the ionization cross section decreases. We develop a more rigorous semiempirical model for α, albeit not as universal or simple, for a wider range of d and p for different gas species that may be incorporated into field emission-driven breakdown theories to improve their predictive capability.
Renormalization of excitonic properties by polar phonons
Authors: Park Yoonjae , Limmer David T.
Published: August 2022

We employ quasiparticle path integral molecular dynamics to study how the excitonic properties of model semiconductors are altered by electron–phonon coupling. We describe ways within a path integral representation of the system to evaluate the renormalized mass, binding energy, and radiative recombination rate of excitons in the presence of a fluctuating lattice. To illustrate this approach, we consider Fröhlich-type electron–phonon interactions and employ an imaginary time influence functional to incorporate phonon-induced effects nonperturbatively. The effective mass and binding energies are compared with perturbative and variational approaches, which provide qualitatively consistent trends. We evaluate electron-hole recombination rates as mediated through both trap-assisted and bimolecular processes, developing a consistent statistical mechanical approach valid in the reaction limited regime. These calculations demonstrate how phonons screen electron–hole interactions, generically reducing exciton binding energies and increasing their radiative lifetimes.
Nuclear gradient expressions for molecular cavity quantum electrodynamics simulations using mixed quantum-classical methods
Authors: Zhou Wanghuai , Hu Deping , Mandal Arkajit , Huo Pengfei
Published: August 2022

We derive a rigorous nuclear gradient for a molecule-cavity hybrid system using the quantum electrodynamics Hamiltonian. We treat the electronic–photonic degrees of freedom (DOFs) as the quantum subsystem and the nuclei as the classical subsystem. Using the adiabatic basis for the electronic DOF and the Fock basis for the photonic DOF and requiring the total energy conservation of this mixed quantum–classical (MQC) system, we derived the rigorous nuclear gradient for the molecule–cavity hybrid system, which is naturally connected to the approximate gradient under the Jaynes–Cummings approximation. The nuclear gradient expression can be readily used in any MQC simulations and will allow one to perform the non-adiabatic on-the-fly simulation of polariton quantum dynamics. The theoretical developments in this work could significantly benefit the polariton quantum dynamics community with a rigorous nuclear gradient of the molecule–cavity hybrid system and have a broad impact on the future non-adiabatic simulations of polariton quantum dynamics.