bluuebunny/crossref_metadata_2025 huggingface dataset:
Ferritin‐based drug delivery system for tumor therapy
Authors: Tu Zaiqian , Timashev Peter , Chen Junge , Liang Xing‐Jie
Published: April 2023

Ferritin has been widely used in drug delivery in recent years due to its unique spherical nanocage structure. In addition, the natural targeting and good biocompatibility of ferritin make it an excellent drug delivery system. Therefore, ferritin has shown a broad application prospect in the field of nanomedicine. In this perspective, we will describe ferritin‐based drug delivery system, ferritin‐based drug delivery system for tumor treatment, and future challenges in ferritin development. Hopefully, this perspective may inspire the future development of ferritin‐based drug delivery systems for tumor treatment.
Self‐Assembly of Hybrid Peptide−DNA Nanostructures using Homotrimeric Coiled‐Coil/Nucleic Acid Building Blocks
Authors: Buchberger Alex , Al‐Amin Md , Simmons Chad R. , Stephanopoulos Nicholas
Published: April 2023

Peptides and DNA are two of the most commonly used self‐assembling biological molecules for the construction of nanomaterials. However, there are only a few examples that combine these two self‐assembly motifs as key structural elements in a nanostructure. We report on the synthesis of a peptide−DNA conjugate that self‐assembles into a stable homotrimer based on the coiled‐coil motif. The hybrid peptide−DNA trimer was then used as a novel three‐way junction to link together either small DNA tile nanostructures, or to close up a triangular wireframe DNA structure. The resulting nanostructures were characterized by atomic force microscopy, and compared with a scrambled, non‐assembling peptide as a control. These hybrid nanostructures enable the integration of peptide motifs and potentially bio‐functionality with DNA nanostructures, and open the door to novel nano‐materials that have the advantages of both molecules.
Fluorinated Zirconia Prepared by Anionic Exchange of Zirconium Oxo/Hydroxide with Trifluoroacetic Acid: Structure, Acid‐Base and Catalytic Properties
Authors: Ben Salem Roua , Cornier Thibaut , Bargiela Pascal , Lebeau Bénédicte , Mishra Shashank , Essayem Nadine
Published: April 2023

Fluorinated zirconia were prepared by anionic exchange between commercial zirconium oxo/hydroxide of high surface area and trifluoracetic acid solutions. The new fluoride‐based catalysts contained high amount of F with superficial Zr/F ratio of 0.9 and 1.2 after calcination at 300 °C and 400 °C, respectively, and retained high surface areas. The impact of F insertion on the catalyst's acid‐base properties was studied by calorimetry of NH3 and CO2 adsorption and FTIR of pyridine adsorption. The insertion of F species was shown to inhibit the basicity of zirconia and to generate Brønsted acidity ascribed to the electron withdrawing of Fluorine. This is consistent with the selectivity changes observed in the gas phase isopropanol conversion leading to formation of propene at the expense of acetone over zirconia and selective aqueous phase dihydroxyacetone conversion into pyruvaldehyde with reduced formation of hexoses and Lactic acid upon F loading within zirconia framework. Fluorine atoms also made the catalyst's surface more hydrophobic.
Pt Single Atoms as Co‐Catalysts on CdS‐Sensitized Single‐Crystalline TiO2 Nanoflakes for Enhanced Visible Light Photocatalytic H2 Generation
Authors: Raza Waseem , Tesler Alexander B. , Mazare Anca , Tomanec Ondrej , Kment Stepan , Schmuki Patrik
Published: April 2023

Studies on single‐atom catalysts (SACs) with individually isolated metal atoms anchored on specific supports have gained great interest in photocatalysis due to their enhanced catalytic activity and optimal atom utilization. By providing an optimized number of active sites and enhancing their intrinsic activity, SACs afford a distinctive platform for photocatalysis at the atomic level. In this study, we investigate the photocatalytic H2 generation of Pt single atoms (SAs) anchored on CdS‐sensitized single crystalline anatase TiO2 nanoflakes (ATNF) in the visible spectral range. Vertically‐aligned ATNF were synthesized on fluorine‐doped tin oxide substrates by a hydrothermal process, which were further sensitized by CdS nanoislands (NIs) using the successive ionic layer adsorption and reaction (SILAR) technique. Finally, a reactive‐deposition approach was used to successfully anchor Pt SAs on CdS‐sensitized ATNF. Under optimized conditions, the highest photocatalytic H2 evolution on Pt‐anchored single atom CdS sensitized ATNF was 17.8 μL h−1 under visible light illumination, which is 15.8, 7.5, and 6.7‐fold higher than bare CdS/FTO, PtSA/CdS/FTO, and ATNF, respectively. Overall, the density of Pt SAs plays a vital role via strong trapping of the photogenerated electrons and significantly improves the efficiency of electron‐hole separation, making PtSA/ATNF efficient solar‐driven photocatalysts.
DEVELOPMENT OF AN ORTHOTROPIC COMPOSITE SLAB SYSTEM FOR ROAD BRIDGES
Authors: Stroetmann R. , Karge C. , Mansperger T.
Published: April 2023

Large increases in traffic loads led to extensive fatigue damage to existing orthotropic steel roadway slabs of bridges. Reinforced concrete bridges and conventional composite bridges are less susceptible to fatigue but considerably heavier. With the so‐called ortho‐composite‐slab (OC‐slab) a lightweight and robust construction is currently being developed as an alternative to existing construction methods. The basic ideas for the design are explained and an overview of the objectives of the AiF‐FOSTA research project P1265 [1] is given. An overview of the experimental test program is given in section 3.3 It is used to determine the load‐bearing and fatigue behavior of the OC‐slab with composite dowel strips. Detailed information on tests on dowel strips in longitudinal and transverse direction are presented in [9]. Furthermore, application examples in practice are shown in section 4.
INNOVATIVE NUMERICAL APPROACHES FOR STRAIN LIMITED DESIGN OF COMPOSITE BEAMS
Authors: Zhang Q. , Schäfer M.
Published: April 2023

For composite cross‐section in steel and concrete plastic bending resistance is often used. However, also for cross‐section of class 1 and 2 rotation capacity may be reduced, then strain‐limited or elastic resistance becomes important. The strain‐limited resistance refers to the design of concrete sections according to EN 1992‐1‐1, considering the material nonlinearity. For the numerical approaches, the conventional “finite fibre method” demands high programming and calculation efforts due to the vast amount of fibres to be computed. In this article, three alternative numerical approaches: the finite cell method, the integral strain method and the direct analytical method are introduced. These approaches reduce the number of elements compared to the fibre method. They take different levels of simplification, varies in application ranges, accuracy and calculation speed. For conventional composite beam and slim‐floor beam cross‐sections, an efficient alternative to the fibre method is presented by the alternates.
INTEGRAL BRIDGE WITH RS‐OVERPASS TECHNOLOGY – STEP INTO THE FUTURE OF STANDARD HIGHWAY OVERPASSES
Authors: Zanon R. , Rademacher D. , Seidl G. , Pak D.
Published: April 2023

Starting from Germany, the VFT bridge girder technology (prefabricated composite beam) has spread in several European countries in the last decades as further development of the standard steel‐concrete composite solution. Its configuration fits perfectly to integral frame bridges built over existing infrastructure with the scope to minimize the traffic disturbance. In this paper a further development with the focus on cost efficiency in span ranges of 40‐55 m is proposed: the RS‐Overpass technology. The change consists in using standard rolled sections by adapting them into the integral frame bridge configuration, further enhancing the structural efficiency with the benefits of high‐steel strength. The constructive details to achieve the polygonal form have been studied to allow easy fabrication and a maximal clearance height over highway traffic lanes. The RS‐Overpass solution is conceived as the economic option of standard highway overpasses, with the aim of a overall construction cost reduction of 5%. The possibility of weathering steel or hot‐dip galvanization create the unique offer for a maintenance‐free solution.
Kunming tower: composite systems in supertall design
Authors: Li Xuemei , Chhabra Ashpica , Ding Han
Published: April 2023

For the past 20 years, composite systems have dominated supertall construction. This paper will present composite construction solutions at system and component level in the design of supertall buildings using the example of the 407m tall Kunming Tower. The tower utilizes an innovative tied‐braced frame structural system at the perimeter and strategically placed energy dissipating mechanisms to meet the Chinese code requirements and to achieve seismic performance objectives. Given the complexity of the non‐prescriptive structure, many advanced analyses were performed to verify building behavior and optimize the structural system.
Institutional and technical history of requirements‐based strategic armor ceramics basic research leading up to the multiscale material by design materials in extreme dynamic environments (MEDE) program. Part I. Brief history of institutional changes and relevant major research programs
Authors: McCauley James W.
Published: April 2023

History, beginning in the late 1960s during the Vietnam war, of the institutional changes that took place because of various military operations and the resulting changes in policies and requirements in the Department of Defense and the Army: Army Force XXI, DDRE, and Army After Next; this will include the evolution of personnel and vehicle protection materials and the impact of major DARPA programs. The new requirements emphasized light weight and changes in the basic research approach, which led to the approval of a strategic research objective, “Armor Materials by Design.” At the same time, there were other National planning activities, workshops, and conferences advocating for the armor materials by design vision and the use of “figures of merit.” The Army Research Laboratory responded to these initiatives by initiating an “Enterprise for Multiscale Research of Materials” leading to the funding of a revolutionary new collaborative research program on “materials in extreme dynamic environment.” The role of the ARL Materials Center of Excellence will also be included.
Toughening Hydrogels by Forming Robust Hydrazide‐Transition Metal Coordination Complexes
Authors: Ju Huaqiang , Zhu Qing Li , Zuo Min , Liang Songmiao , Du Miao , Zheng Qiang , Wu Zi Liang
Published: April 2023

Energy dissipation based on dynamic fracture of metal ligands is an effective way to toughen hydrogels for specific applications in biomedical and engineering fields. Exploration of new kinds of metal‐ligand coordinates with robust bonding strength is crucial for the facile synthesis of tough gels. Here a hydrogel toughening strategy based on the formation of robust coordination complexes between the hydrazide ligands and zinc ions is reported. The resultant hydrogels exhibit high strength and toughness at room temperature. Their mechanical properties show temperature dependence due to the dynamic nature of coordination bonds. In addition, the amine group of hydrazides in the gel matrix provides a reactive site for Schiff's base reaction, enabling surface modification without influence on overall mechanical performances of the gel. The hydrazide ligands are easy to synthesize and can coordinate very well with several transition metals. Such a metal‐ligand coordination should be suitable to develop tough soft materials with versatile applications.
Intramolecular Hiyama Coupling: Synthesis of 1,8,13‐Trisubstituted Chiral Triptycenes with Three Different Substituents by Intramolecular Substituent Transfer
Authors: Iwata Takayuki , Hanada Masato , Kumagai Satoru , Yoshinaga Tatsuro , Shiota Yoshihito , Yoshizawa Kazunari , Shindo Mitsuru
Published: April 2023

Herein, we describe Hiyama coupling via intramolecular substituent transfer from silicon on one blade of triptycenes to another to yield 1,8,13‐trisubstituted chiral triptycenes. This reaction is attributed to the proximity effect of substituents on triptycene, which plays an important role in not only the formation of the oxy‐palladacycle but also the activation of the silyl group to facilitate σ‐bond metathesis. After bromination and nucleophilic ring opening, the second intramolecular Hiyama coupling provided various 1,8,13‐trisubstituted chiral triptycenes. The optical resolution of 1,8,13‐triptycene afforded an optically active form for the first time.
Multiscale aggregation and illumination‐aware attention network for infrared and visible image fusion
Authors: Song Wenhao , Zhai Wenzhe , Gao Mingliang , Li Qilei , Chehri Abdellah , Jeon Gwanggil
Published: April 2023

Image fusion plays a significant role in computer vision since numerous applications benefit from the fusion results. The existing image fusion methods are incapable of perceiving the most discriminative regions under varying illumination circumstances and thus fail to emphasize the salient targets and ignore the abundant texture details of the infrared and visible images. To address this problem, a multiscale aggregation and illumination‐aware attention network (MAIANet) is proposed for infrared and visible image fusion. Specifically, the MAIANet consists of four modules, namely multiscale feature extraction module, lightweight channel attention module, image reconstruction module, and illumination‐aware module. The multiscale feature extraction module attempts to extract multiscale features in the images. The role of the lightweight channel attention module is to assign different weights to each channel so as to focus on the essential regions in the infrared and visible images. An illumination‐aware module is employed to assess the probability distribution regarding the illumination factor. Meanwhile, an illumination perception loss is formulated by the illumination probabilities to enable the proposed MAIANet to better adjust to the changes in illumination. Experimental results on three datasets, that is, MSRS, TNO, and RoadSence, verify the effectiveness of the MAIANet in both qualitative and quantitative evaluations.
New Histone Lysine Acylation Biomarkers and Their Roles in Epigenetic Regulation
Authors: Fu Qianyun , Cat Amber , Zheng Y. George
Published: April 2023

Protein posttranslational modification (PTM) is a biochemical mechanism benefitting cellular adaptation to dynamic intracellular and environmental conditions. Recently, several acylation marks have been identified as new protein PTMs occurring on specific lysine residues in mammalian cells: isobutyrylation, methacrylation, benzoylation, isonicotinylation, and lactylation. These acylation marks were initially discovered to occur on nucleosomal histones, but they potentially occur as prevalent biomarkers on non‐histone proteins as well. The existence of these PTMs is a downstream consequence of metabolism and demonstrates the intimate crosstalk between active cellular metabolites and regulation of protein function. Emerging evidence indicates that these acylation marks on histones affect DNA transcription and are functionally distinct from the well‐studied lysine acetylation. Herein, we discuss enzymatic regulation and metabolic etiology of these acylations, 'reader' proteins that recognize different acylations, and their possible physiological and pathological functions. Several of these modifications correlate with other well‐studied acylations and fine‐tune the regulation of gene expression. Overall, findings of these acylation marks reveal new molecular links between metabolism and epigenetics and open up many questions for future investigation. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.
Fe−Ni Diatomic Sites Coupled with Pt Clusters to Boost Methanol Electrooxidation via Free Radical Relaying
Authors: Wang Tianqi , Zhao Shenghao , Ji Zhijiao , Hao Lu , Umer Sundus , Liu Jia , Hu Wenping
Published: April 2023

Pt‐based catalysts for direct methanol fuel cells (DMFCs) are still confronted with the challenge of over‐oxidation of Pt and poisoning effect of intermediates; therefore, a spatial relay strategy was adopted to overcome these issues. Herein, Pt clusters were creatively fixed on the N‐doped carbon matrix with rich Fe−Ni diatoms, which can provide independent reaction sites for methanol oxidation reaction (MOR) and enhance the catalytic activity due to the electronic regulation effect between Pt cluster and atomic‐level metal sites. The optimized Pt/FeNi−NC catalyst shows MOR electrocatalytic activity of 2.816 A mgPt−1, 2.6 times that of Pt/C (1.115 A mgPt−1). Experiments combined with DFT study reveal that Fe−Ni diatoms and Pt clusters take charge of hydroxyl radical (⋅OH) generation and methanol activation, respectively. The free radical relaying of ⋅OH could prevent the over‐oxidation of Pt. Meanwhile, ⋅OH from Fe−Ni sites accelerates the elimination of intermediates, thus improving the durability of catalysts.
A new generalized stochastic Petri net modeling for energy‐harvesting‐wireless sensor network assessment
Authors: Nourredine Oukas , Menouar Boulif , Campo Eric , van den Bossche Adrien
Published: April 2023

This paper proposes an energy‐harvesting‐aware model that aims to assess the performances of wireless sensor networks. Our model uses generalized stochastic Petri nets to define a sensor–neighbors relationship abstraction. The novelty of the proposed formulation is taking into account several real‐life considerations such as battery‐over breakdowns, unavailability of neighbors, retrial attempts, and sleeping mechanism in a single model. We use TimeNet tool to simulate the network behavior in order to evaluate its performance throughout different formulas after it had reached its steady state. Finally, we present a case study featuring the different solar energy recovery capabilities of the vast Algerian territory. The aim is to show with the presented model how to determine the kind of resources to be acquired in order to cope with the sensor deployment project requirements. The proposed model allows us to ensure that the battery energy level of sensors deployed in Algiers province for example is almost equal to 80% for 100 messages per day and (1 min/2 min) for (awakening time/sleeping time) ratio.
Urbanicity and cognitive functioning in later life
Authors: Lawrence Elizabeth , John Samantha E. , Bhatta Tirth
Published: April 2023

Introduction

Prior research has shown disparities in cognitive functioning across the rural–urban continuum. We examine individual‐ and contextual‐level factors to understand how and why urbanicity shapes cognitive functioning across older adulthood.

Methods

Using a nationally representative sample from 1996 to 2016 waves of the Health and Retirement Study (HRS) and growth curve models, we assess urban–suburban–exurban differences in older adult cognitive functioning.

Results

Results demonstrate that older adult men and women living in exurban areas, and older adult men in suburban areas, have lower cognitive functioning scores compared to their urban peers. Educational attainment and marital status contribute to but do not fully explain these differences. There were no differences in the trajectory over age, suggesting that urbanicity disparities in cognition occur earlier in life, with average differences remaining the same across older adulthood.

Discussion

Differences in cognitive functioning across urbanicity are likely due to factors accumulating prior to older adulthood.
Synthesis, biological evaluation, and molecular docking study of chromen‐linked hydrazine carbothioamides as potent α‐glucosidase inhibitors
Authors: Basri Rabia , Ullah Saeed , Halim Sobia Ahsan , Alharthy Rima D. , Rauf Umair , Khan Ajmal , Hussain Javid , Al‐Ghafri Ahmed , Al‐Harrasi Ahmed , Shafiq Zahid
Published: April 2023

Inhibiting α‐glucosidase is a reliable method for reducing blood sugar levels in diabetic individuals. Several novel chromen‐linked hydrazine carbothioamide (3a–r) were designed and synthesized by condensation of chromone‐3‐carbaldehyde with a variety of substituted thiosemicarbazides. The structures of these new analogues were elucidated through various advanced spectroscopic techniques (1H NMR, 13C NMR, and ESI‐MS). The resulted compounds were screened for α‐glucosidase inhibitory potential and all the compounds (3a–r) exhibited potent inhibition of α‐glucosidase with IC50 values ranging 0.29–53.70 µM. Among them compounds 3c, 3f, 3h, and 3r displayed the highest α‐glucosidase inhibitor capability with IC50 values of 1.50, 1.28, 1.08, and 0.29 µM, respectively. Structure–activity relationship showed that different substituted groups are responsible for the variation in the α‐glucosidase inhibition. The kinetics studies of the most active inhibitor (3r) were performed, to investigate the mode of inhibition and dissociation constants (Ki), that indicated a competitive inhibitor with Ki value of 1.47 ± 0.31 µM. Furthermore, molecular docking studies was performed to reveal the possible interactions, such as H‐bonding, or π–π stacking, with the key residues of α‐glucosidase. Docking analysis revealed the importance of hydrazine carbothioamide moiety of compounds in the attachment of ligands with the crucial residues of α‐glucosidase. The estimated pharmacokinetic, physicochemical, and drug likeness properties of compounds 3a–r reflects that these molecules have acceptable range of these properties.
The safety and efficacy of Ringer's solution loading with rectal diclofenac for prevention of post‐endoscopic retrograde cholangiopancreatography pancreatitis: The RESOLUTION‐PEP study
Authors: Hattori Aiji , Yamada Reiko , Murabayashi Toji , Sugimoto Shinya , Imai Hajime , Nojiri Keiichiro , Kuroda Naoki , Tano Shunsuke , Tanaka Hiroki , Matsusaki Shimpei , Nishikawa Kenichiro , Naota Hiroaki , Moritani Isao , Kurata Kazunari , Fukui Toshitaka , Tanaka Kyosuke , Nakagawa Hayato
Published: April 2023

Objectives

We evaluated the safety and efficacy of aggressive hydration with rectal non‐steroidal anti‐inflammatory drugs for the prevention of post‐endoscopic retrograde cholangiopancreatography (ERCP) pancreatitis (PEP).

Methods

This prospective, single‐arm, multicenter trial was conducted at 12 institutions between October 2020 and August 2021. We enrolled 231 patients who had intact papillae and were scheduled to undergo ERCP. All patients were administered rectal diclofenac before ERCP. They received aggressive hydration with intravenous lactated Ringer's solution in an initial bolus of 5 ml/kg at the start of ERCP, followed by 3 ml/kg/h for 8 h after the procedure. The primary outcome was the occurrence of PEP. Secondary outcomes included PEP severity, hyperamylasemia, and adverse events.

Results

The mean age of the patients was 68.8 ± 13.7 years, and 81 patients (35.1%) were 75 years or older. Thirteen patients developed PEP (5.6%, 95% confidence interval 3.0%–9.4%). There were 11 cases (4.8%) of mild pancreatitis and two cases (0.9%) of severe pancreatitis. Forty‐five patients (19.5%) developed hyperamylasemia and one patient developed non‐severe peripheral edema.

Conclusions

Aggressive hydration combined with rectal diclofenac may be a promising strategy for the prevention of PEP. Furthermore, it is safe even for older individuals.
Maternal prenatal depression is associated with dysregulation over the first five years of life moderated by child polygenic risk for comorbid psychiatric problems
Authors: Babineau Vanessa , Jolicoeur‐Martineau Alexia , Szekely Eszter , Green Cathryn Gordon , Sassi Roberto , Gaudreau Hélène , Levitan Robert D. , Lydon John , Steiner Meir , O'Donnell Kieran J. , Kennedy James L. , Burack Jacob A. , Wazana Ashley
Published: April 2023

Dysregulation is a combination of emotion, behavior, and attention problems associated with lifelong psychiatric comorbidity. There is evidence for the stability of dysregulation from childhood to adulthood, which would be more fully characterized by determining the likely stability from infancy to childhood. Early origins of dysregulation can further be validated and contextualized in association with environmental and biological factors, such as prenatal stress and polygenic risk scores (PRS) for overlapping child psychiatric problems. We aimed to determine trajectories of dysregulation from 3 months to 5 years (N = 582) in association with maternal prenatal depression moderated by multiple child PRS (N = 232 pairs with available PRS data) in a prenatal cohort. Mothers reported depression symptoms at 24–26 weeks’ gestation and child dysregulation at 3, 6, 18, 36, 48, and 60 months. The PRS were for major depressive disorder, attention deficit hyperactivity disorder, cross disorder, and childhood psychiatric problems. Covariates were biological sex, maternal education, and postnatal depression. Analyses included latent classes and regression. Two dysregulation trajectories emerged: persistentlylow dysregulation(94%), and increasinglyhigh dysregulation(6%). Stable dysregulation emerged at 18 months. High dysregulation was associated with maternal prenatal depression, moderated by PRS for child comorbid psychiatric problems. Males were at greater risk of high dysregulation.
Diet of a threatened rattlesnake (eastern massasauga) revealed by DNA metabarcoding
Authors: Swinehart Alyssa , Partridge Charlyn , Russell Amy , Thacker Arin , Kovach Jennifer , Moore Jennifer
Published: April 2023

Characterizing the diet of imperiled species using minimally invasive methods is crucial to understanding their ecology and conservation requirements. Here, we apply a DNA metabarcoding approach to study the diet of the eastern massasauga rattlesnake (Sistrurus catenatus), a Federally Threatened snake found throughout the Great Lakes region. Eighty‐three fecal samples collected across 10 different massasauga populations located in Michigan, USA, were sequenced, with 70 samples containing prey DNA. We used universal metazoan primers and developed a host‐specific oligonucleotide blocker to characterize their diet. We identified at least 12 different prey species, with eastern massasaugas exhibiting opportunistic feeding and a strong preference towards small mammals. Meadow voles (Microtus pennsylvanicus) were the most common prey item (70% of diet) followed by the northern short‐tailed shrew (Blarina brevicauda) and masked shrew (Sorex cinereus; 15.7% of diet each), along with occasional bird and snake prey. Adult individuals exhibited a more generalized diet, consuming a larger number of prey taxa on average. Younger snakes consumed a smaller variety of prey items and tended to consume smaller‐sized mammals such as masked shrews (Sorex cinereus) and northern short‐tailed shrews (Blarina brevicauda). We conclude that small mammals are a crucial part of eastern massasauga rattlesnake diet and recommend this be taken into consideration when conservation strategies are developed. The methods developed in this study can be applied to other reptile species, providing an accurate, minimally invasive, and thorough diet assessment for at‐risk reptile species.
Estimating phenology and phenological shifts with hierarchical modeling
Authors: Wilson Samantha M. , Anderson Joseph H. , Ward Eric J.
Published: April 2023

Climate‐driven changes to phenology are some of the most prevalent climate change impacts, yet there is no commonly accepted approach to modeling phenological shifts. Here, we present a hierarchical modeling framework for estimating intra‐annual patterns in phenology (e.g., peak phenological expression) and analyzing interannual rates of change in peak phenology. Our approach allows for the estimation of multiple sources of uncertainty, including observation error (e.g., imperfect observations of intra‐annual patterns in phenology like peak flowering date) and variation in phenological processes (e.g., uncertainty in the rate of change in annual peak phenological expression). Covariates may be included as predictors of annual peaks or interannual variability in phenological responses. We demonstrate the use of our hierarchical modeling framework in two migratory species—juvenile chum salmon and Swainson's thrush. We acknowledge that the complexity of hierarchical models can be difficult to implement from scratch and present an R package that can be used to model peak dates and range (number of days between 25th‐ and 75th‐quartile dates), as well as a rate of change in peak phenology. Increasing precision, calculating uncertainty, and allowing for imperfect data sets when estimating phenological shifts should help ecologists understand how organisms respond to climate change.
Catalyst deactivation of cation‐exchange resin in cross‐aldol condensation of acetaldehyde to methyl pentenone
Authors: Kamal Sumit
Published: April 2023

The aldol condensation of acetaldehyde with methyl ethyl ketone was studied for the production of methyl pentenone in the presence of cationic resin, Amberlyst‐15. Methyl pentenone (MPO) is an important intermediate used for the synthesis of Iso‐E‐Super, which is a precursor in sandalwood fragrances. Amberlyst‐15 used as an alternative heterogeneous catalyst for conventional corrosive sulphuric acid was found to get deactivated with prolonged use. In this work, major possible causes of catalyst deactivation, such as desulphonation, coking, grafting, metal deposition and thermal degradation, are investigated. Characterization of fresh and used catalysts is performed for surface area, mass deposited and elemental composition (CHNS and ICP). The results confirm that multiple causes, i.e., desulphonation, metals exchange and oligomers deposition, are responsible for the catalyst deactivation. The presence of metal promotes desulphonation; the desulphonation along with metal exchange appears to be the major contributors to catalyst deactivation; and avoiding exposure to metal impurities may enhance the catalyst life significantly. Catalyst regeneration was also explored, and the catalyst site density is reclaimed from 0.5–0.6 meq/g to 4.1–4.2 meq/g, which is closer to the fresh Amberlyst‐15 (4.5–4.6 meq/g). The study provides a way to develop the resin‐based green technology for catalytic reactions.
In vitro and in vivo antioxidant and antihyperglycemic potentials of phenolic fractions of Syzygium zeylanicum (L.) DC trunk‐bark
Authors: Nguyen Minh‐Trung , Thi Bich Huyen Bui , Maskey Shila , Tran Minh‐Dinh , Nguyen Quang‐Vinh
Published: April 2023

Syzygium zeylanicum L. (DC) (SZL) has been used in antidiabetes treatment for ages. However, the scientific evidence of active agents that have antidiabetic activity and response against biological activities is limited. In this study, the active components of SZL trunk‐bark extract (SZL extract) were identified using principal component analysis (PCA), and their antidiabetic activities were assessed. The results indicated that the ethyl acetate fraction (EAF) had the highest concentration of phenolic compounds, antioxidants, and antihyperglycemic activities in the postprandial zebrafish model. The major antioxidant contributors were gallic acid, catechin, epicatechin, ellagic acid, quercetin, caffeine, and apigenin, and their concentrated levels reduced α‐amylase inhibitory activity, whereas rutin and ethyl gallate influenced the α‐glucosidase inhibitory activity. This study showed the bio‐functional properties of active phenolic compounds present in the SZL extract, potentially serving as a functional food to control hyperglycemia.
Effect of storage on physicochemical attributes of ice cream enriched with microencapsulated anthocyanins from black carrot
Authors: Shamshad Aneela , Iahtisham‐Ul‐Haq  , Butt Masood Sadiq , Nayik Gulzar Ahmad , Al Obaid Sami , Ansari Mohammad Javed , Karabagias Ioannis Konstantinos , Sarwar Nazmul , Ramniwas Seema
Published: April 2023

The present study was conducted to investigate the effect of storage on quality attributes of microencapsulated black carrot anthocyanins‐enriched ice cream. Purposely, black carrot anthocyanins were obtained using ethanolic extraction. Later on, extracts were acidified and microencapsulated with gum arabic and maltodextrin (1:1). Results showed that anthocyanin contents for T3 (9% microencapsulated anthocyanins powder‐enriched ice cream) had highest anthocyanin contents in the range of 143.21 ± 1.14 mg/100 g. However, during the storage, it was revealed that there was a slight decline in constituents concentration reasoned to oxygen exposure and interaction with other food ingredients. Similarly, for total phenolic content, the highest amount was found in T3 as 545.38 ± 4.34 mg GAE/100 g. The quality attributes of prepared ice cream treatments were also found acceptable till the end of the study (60 days). Conclusively, the addition of microencapsulated anthocyanins powder in ice cream proved to stabilize black carrot anthocyanins and contributed positively to the sensory characteristics of ice cream.
Graph propagation network captures individual specificity of the relationship between functional and structural connectivity
Authors: Wu Dongya , Li Xin
Published: April 2023

Functional connectivity (FC) network characterizes the functional interactions between brain regions and is considered to root in the underlying structural connectivity (SC) network. If this is the case, individual variations in SC should cause corresponding individual variations in FC. However, divergences exist in the correspondence between direct SC and FC and researchers still cannot capture individual differences in FC via direct SC. As brain regions may interact through multi‐hop indirect SC pathways, we conceived that one can capture the individual specific SC–FC relationship via incorporating indirect SC pathways appropriately. In this study, we designed graph propagation network (GPN) that models the information propagation between brain regions based on the SC network. Effects of interactions through multi‐hop SC pathways naturally emerge from the multilayer information propagation in GPN. We predicted the individual differences in FC network based on SC network via multilayer GPN and results indicate that multilayer GPN incorporating effects of multi‐hop indirect SCs greatly enhances the ability to predict individual FC network. Furthermore, the SC–FC relationship evaluated via the prediction accuracy is negatively correlated with the functional gradient, suggesting that the SC–FC relationship gradually uncouples along the functional hierarchy spanning from unimodal to transmodal cortex. We also revealed important intermediate brain regions along multi‐hop SC pathways involving in the individual SC–FC relationship. These results suggest that multilayer GPN can serve as a method to establish individual SC–FC relationship at the macroneuroimaging level.
ContourGAN: Auto‐contouring of organs at risk in abdomen computed tomography images using generative adversarial network
Authors: Francis Seenia , Jayaraj P. B. , Pournami P. N. , Puzhakkal Niyas
Published: April 2023

Accurately identifying and contouring the organs at risk (OARs) is a crucial step in radiation treatment planning for precise dose calculation. This task becomes especially challenging in computed tomography (CT) images due to the irregular boundaries of the organs under study. The method currently employed in clinical practice is the manual contouring of CT images, which tends to be highly tedious and time‐consuming. The results are also prone to variations depending on the observer's skill level, environment, or equipment types. A deep learning‐based automatic contouring technique for segmenting OARs would help eliminate these problems and generate consistent results with minimal time and human effort. Our approach is to design a conditional generative adversarial network (GAN)‐based technique for the semantic segmentation of OARs in abdominal CT images. The residual blocks of the generator network have a multi‐scale context layer that explores more generic characteristics, greatly enhancing performance and lowering losses. A comparative analysis is undertaken based on various assessment measures widely employed in segmentation. The results show substantial improvement, with mean dice scores of 98.0%, 96.6%, 98.2%, and 86.1% for the respective organs—liver, kidney, spleen, and pancreas—in the abdominal CT. The proposed GAN‐based model could accurately segment the four abdominal organs, including the liver, kidney, spleen, and pancreas. The obtained results prove that the suggested model is able to compete with existing state‐of‐the‐art abdominal OAR segmentation techniques.
Outcomes of Pediatric Osteogenesis Imperfecta Patients Requiring Port‐a‐Cath Placement for Long‐Term Vascular Access
Authors: White Andrew C , Byrd Jay J , Schissel Makayla , Strudthoff Elizabeth , Wallace Maegen
Published: April 2023

Intravenous (iv) bisphosphonates are widely used to treat the skeletal manifestations of osteogenesis imperfecta (OI). Obtaining peripheral iv access in pediatric patients with OI is often difficult and traumatic. Although this may be mitigated with surgically placed iv ports (port‐a‐caths), surgeons may be hesitant to perform this procedure on these children because of the lack of safety data. This study aims to gain better insight into the safety and efficacy of port‐a‐cath use in this population and identify risk factors for port‐a‐cath complications. In the present study, we conducted a retrospective cohort analysis of patient characteristics and the incidence of port‐a‐cath‐related complications in children with OI. Fifty‐three port‐a‐caths were placed in 29 children (21 males and 8 females). Of the 29 patients, most are OI type III (n = 18), followed by type I (n = 4), type IV (n = 4), and type V (n = 3). At the time of initial port‐a‐cath placement, the median age was 52 months (10–191 months), and the median weight was 7.9 kg (5.1–41.1 kg). Most patients (n = 20) weighed less than 10 kg during initial placement. Weight correlated significantly with OI type (p = 0.048), sex (p = 0.03), and vessel used (p = 0.02). Median initial port‐a‐cath longevity was 43 months (1–113 months), and we found no significant difference in port‐a‐cath longevity between sexes, OI types, or vessels used. Most patients (n = 19) required multiple port‐a‐cath placements. There is a significant difference (p = 0.02) between the number of placements and OI type, with type IV having more than type III. Port‐a‐cath removal was almost always due to mechanical complications (n = 19) but also for infection (n = 1) and malposition (n = 1). Eight patients still had their initial port‐a‐caths in place at the conclusion of this study. These findings indicate that complications associated with port‐a‐cath placement are mild and can be used to safely deliver iv bisphosphonates to pediatric OI patients. © 2023 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Cultural humility and cultural competence in counseling: An exploratory mixed methods investigation
Authors: Zhu Peitao , Luke Melissa M. , Liu Yanhong , Wang Qiu
Published: April 2023

Using an exploratory sequential mixed methods research design, we investigated the relationship between cultural humility (CH) and cultural competence (CC), two concepts that have been widely discussed in the multicultural counseling literature. We first adopted a thematic analysis to explore how 14 experienced counselor educators perceived the CH–CC relationship and identified three preliminary themes. Then, we utilized quantitative analyses to test the hypotheses derived from the qualitative themes, based on a sample of 434 adults who received mental health services. Both qualitative and quantitative results supported that CH and CC (a) share conceptual alignment; (b) emphasize on different aspects of counselor characteristics and behaviors in cultural contexts; and (c) both play an integral, yet slightly varied, role during the counseling process. We discuss implications regarding embracing CH and CC in the counseling practice, counselor educator, and future research on multicultural counseling.
Structural insights into SARS‐CoV‐2 main protease conformational plasticity
Authors: Dehury Budheswar , Mishra Sarbani , Pati Sanghamitra
Published: April 2023

The spread of different severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) variants underscores the need for insights into the structural properties of its structural and non‐structural proteins. The highly conserved homo‐dimeric chymotrypsin‐like protease (3CL MPRO), belonging to the class of cysteine hydrolases, plays an indispensable role in processing viral polyproteins that are involved in viral replication and transcription. Studies have successfully demonstrated the role of MPRO as an attractive drug target for designing antiviral treatments because of its importance in the viral life cycle. Herein, we report the structural dynamics of six experimentally solved structures of MPRO (i.e., 6LU7, 6M03, 6WQF, 6Y2E, 6Y84, and 7BUY including both ligand‐free and ligand‐bound states) at different resolutions. We have employed a structure‐based balanced forcefield, CHARMM36m through state‐of‐the‐art all‐atoms molecular dynamics simulations at µ‐seconds scale at room temperature (303K) and pH 7.0 to explore their structure‐function relationship. The helical domain‐III responsible for dimerization mostly contributes to the altered conformational states and destabilization of MPRO. A keen observation of the high degree of flexibility in the P5 binding pocket adjoining domain II‐III highlights the reason for observation of conformational heterogeneity among the structural ensembles of MPRO. We also observe a differential dynamics of the catalytic pocket residues His41, Cys145, and Asp187, which may lead to catalytic impairment of the monomeric proteases. Among the highly populated conformational states of the six systems, 6LU7 and 7M03 forms the most stable and compact MPRO conformation with intact catalytic site and structural integrity. Altogether, our findings from this extensive study provides a benchmark to identify physiologically relevant structures of such promising drug targets for structure‐based drug design and discovery of potent drug‐like compounds having clinical potential.
Modeling spin relaxation in complex radical systems using MolSpin
Authors: Gerhards Luca , Nielsen Claus , Kattnig Daniel R. , Hore P. J. , Solov'yov Ilia A.
Published: April 2023

Spin relaxation is an important aspect of the spin dynamics of free radicals and can have a significant impact on the outcome of their spin‐selective reactions. Examples range from the use of radicals as spin qubits in quantum information processing to the radical pair reactions in proteins that may allow migratory birds to sense the direction of the Earth's magnetic field. Accurate modeling of spin relaxation, however, is non‐trivial. Bloch–Redfield–Wangsness theory derives a quantum mechanical master equation from system‐bath interactions in the Markovian limit that provides a comprehensive framework for describing spin relaxation. Unfortunately, the construction of the master equation is system‐specific and often resource‐heavy. To address this challenge, we introduce a generalized and efficient implementation of BRW theory as a new feature of the spin dynamics toolkit MolSpin which offers an easy‐to‐use approach for studying systems of reacting radicals of varying complexity.
A systematic review and meta‐analysis of digital interventions targeted at individuals with borderline personality disorder (BPD), emotionally unstable personality disorder (EUPD), and related symptoms
Authors: Drews‐Windeck Elea , Greenwood Kathryn , Cavanagh Kate
Published: April 2023

Objectives

The present review investigates the impact of digital interventions for individuals with features of borderline personality disorder (BPD)/emotional unstable personality disorder (EUPD) as digital interventions show promise as therapeutic tools in underserved groups. BPD/EUPD features are identified as clinically relevant, yet previous reviews on the use of digital interventions fail to include subthreshold symptomatology.

Methods

Five online databases were searched for terminology in three categories: BPD/EUPD and related symptoms, mental‐health interventions, and digital technology. Additionally, four relevant journals and two trial registers were searched for additional papers meeting the inclusion criteria.

Results

Twelve articles met all inclusion criteria. Meta‐analyses revealed statistically significant differences in symptom measures between intervention and control groups at postintervention and decreases in BPD/EUPD symptomatology and well‐being from pre‐ to postintervention. Service users' engagement, satisfaction, and acceptability of interventions were high. Results support the previous literature on the value of using digital interventions in populations with BPD/EUPD.

Conclusion

Overall, it was identified that digital interventions show promise for successful implementation with this population.
The Metaverse: A new digital frontier for consumer behavior
Authors: Hadi Rhonda , Melumad Shiri , Park Eric S.
Published: April 2023

This work offers a multidisciplinary perspective on the Metaverse, focusing on its potential implications for consumer behavior. We begin by proposing a conceptualization of the Metaverse as being uniquely defined by the convergence of five key elements—it is digitally mediated, spatial, immersive, shared, and operates in real‐time. We then discuss how these components might collectively alter our understanding of consumer behavior in three domains: consumer identity, social influence, and ownership. We conclude by outlining an agenda for future research to help broaden our understanding of the Metaversal marketplace and its impact on consumer behavior. This work serves as a starting point to characterize a shift that is unfolding in the marketplace and to consider, through a consumer behavior lens, the numerous changes it may bring.
Exome sequencing identifies a novel pathogenic variant in RAB3GAP1 causing Warburg Micro syndrome in a Pakistani family
Authors: Ullah Wahid , Ilyas Muhammad , Tariq Muhammad , Imdad Maria , Ullah Ikram , Efthymiou Stephanie , Faheem Muhammad , Abbas Muhammad ,   SYNAPS Study Group, Aamir Muhammad , Nouman Muhammad , Houlden Henry
Published: April 2023

Background

Warburg Micro (WARBM) syndrome is a rare heterogeneous recessive genetic disorder characterized by ocular, neurological, and endocrine problems. To date, disease‐causing variants in four genes have been identified to cause this syndrome; of these, RAB3GAP1 variants are the most frequent. Very little is known about WARBM syndrome in rural populations.

Objectives

This study aims to investigate the genetics underpinnings of WARBM syndrome in a Pashtun family with two patients from Pakistan. The patients presented with spastic diplegia, severe intellectual disability, microphthalmia, microcornea, congenital cataracts, optic atrophy, and hypogonadism.

Methods

Magnetic resonance imaging (MRI) analysis revealed pronounced cerebral atrophy including corpus callosum hypoplasia and polymicrogyria. Exome sequencing and subsequent filtering identified a novel homozygous missense variant NM_001172435: c.2891A>G, p.Gln964Arg in the RAB3GAP1 gene. The variant was validated, and its segregation confirmed, by Sanger sequencing.

Results

Multiple prediction tools assess this variant to be damaging, and structural analysis of the protein shows that the mutant amino acid residue affects polar contact with the neighboring atoms. It is extremely rare and is absent in all the public databases. Taken together, these observations suggest that this variant underlies Micro syndrome in our family and is extremely important for management and family planning.

Conclusions

Identification of this extremely rare variant extends the mutations spectrum of Micro syndrome. Screening more families, especially in underrepresented populations, will help unveil the mutation spectrum underlying this syndrome.