bluuebunny/crossref_metadata_2025 huggingface dataset:
Performance of the Dental Surgeon in the Multiprofessional Team: A Systematic Review
Authors: Duarte Ana Vitória Machado , Pessoa Camilla Lucena , Oliveira Giovana Gisele Costa , Carvalho Hortência Magge Almada de , Alves Iara Pereira da Cruz , Lopes Karitha Freire dos Santos , Alves Wellington Henrique Reis Santos , Santos Stanley Keynes Duarte dos
Published: September 2023

Background: Dentistry is the health area responsible for the care of the stomatognathic system, with preventive, curative and rehabilitative actions, aiming at the promotion and protection of the patient's health in its entirety. In this regard, multidisciplinary action is essential for implementing health policies at all levels of care. This article aims to carry out a systematic literature review to analyze the relevant aspects of the role of dentistry professionals in multidisciplinary teams.

Methods: Review of the qualitative literature in the PubMed, Scielo and LILACS databases, using the health descriptors "Dentistry" and "Multidisciplinary Team" and selected publications between 2018 and 2022 with thematic relevance.

Results and Discussion: After the research, considering the inclusion and exclusion criteria and thematic relevance, 11 articles were selected. The performance of the dental surgeon in a multidisciplinary team is essential in the care of patients affected by neoplastic disease, heart disease, hospitalized patients and those in Intensive Care Units (ICU). Academic and professional training in multiprofessional residency programs is also a point of interest in achieving a multidisciplinary approach to health care.

Conclusion: After the analysis, it was verified that the analyzed literature exposes relevant aspects of the performance of the dentistry professional in a multidisciplinary team, in particular, in the follow-up, evaluation and dental treatment aimed at the benefit of the patient and for the integration with the different specialties of the team of health.
Updated COVID-19 Vaccine Now Available in US, Recommended for Everyone Older Than 6 Months
Authors: Rubin Rita
Published: September 2023

This Medical News article discusses the new COVID-19 vaccine and recommendations for fall 2023.
Buprenorphine Dose and Time to Discontinuation Among Patients With Opioid Use Disorder in the Era of Fentanyl
Authors: Chambers Laura C. , Hallowell Benjamin D. , Zullo Andrew R. , Paiva Taylor J. , Berk Justin , Gaither Rachel , Hampson Aidan J. , Beaudoin Francesca L. , Wightman Rachel S.
Published: September 2023

Importance

Buprenorphine treatment for opioid use disorder (OUD) has more than doubled since 2009. However, current US Food and Drug Administration buprenorphine dosing guidelines are based on studies among people using heroin, prior to the emergence of fentanyl in the illicit drug supply.

Objective

To estimate the association between buprenorphine dose and time to treatment discontinuation during a period of widespread fentanyl availability.

Design, Setting, and Participants

This retrospective cohort study used statewide Rhode Island Prescription Drug Monitoring Program data. Participants were Rhode Island residents initiating buprenorphine treatment for OUD between October 1, 2016, and September 30, 2020. Data analysis was performed from December 9, 2022, to August 10, 2023.

Exposure

Daily dose of buprenorphine (16 mg and 24 mg) defined starting on the day of initiation based on total quantity and days’ supply dispensed. Patients were censored on any dose change.

Main Outcomes and Measures

Buprenorphine treatment discontinuation in the 180 days following initiation, defined as a gap in treatment of more than 27 days based on prescription fill dates and days’ supply. Kaplan-Meier and Cox regression survival analyses were conducted to estimate the association between buprenorphine dose and time to treatment discontinuation, controlling for potential informative censoring and measured potential confounders.

Results

Among 6499 patients initiating buprenorphine treatment for OUD, most were aged 25 to 44 years (57%; n = 3682), were male (61%; n = 3950), and had private (47%; n = 3025) or Medicaid (33%; n = 2153) insurance. More than half of patients were prescribed a daily dose of interest at initiation (16 mg: 50%; n = 3264; 24 mg: 10%; n = 668). In Kaplan-Meier analyses, 58% of patients discontinued buprenorphine treatment within 180 days (16 mg: 59% vs 24 mg: 53%; log-rank test P = .005). In Cox regression analyses, patients prescribed a dose of 16 mg had a greater risk of treatment discontinuation than those prescribed 24 mg (adjusted hazard ratio, 1.20; 95% CI, 1.06-1.37).

Conclusions and Relevance

In this cohort study of patients initiating buprenorphine treatment from 2016 to 2020, patients prescribed a 24 mg dose of buprenorphine remained in treatment longer than those prescribed 16 mg. The value of higher buprenorphine doses than currently recommended needs to be considered for improving retention in treatment.
Outcomes in Patients With Poststroke Seizures
Authors: Misra Shubham , Kasner Scott E. , Dawson Jesse , Tanaka Tomotaka , Zhao Yize , Zaveri Hitten P. , Eldem Ece , Vazquez Juan , Silva Lucas Scárdua , Mohidat Saba , Hickman L. Brian , Khan Erum I. , Funaro Melissa C. , Nicolo John-Paul , Mazumder Rajarshi , Yasuda Clarissa Lin , Sunnerhagen Katharina S. , Ihara Masafumi , Ross Joseph S. , Liebeskind David S. , Kwan Patrick , Quinn Terence J. , Engel Jerome , Mishra Nishant K.
Published: September 2023

Importance

Published data about the impact of poststroke seizures (PSSs) on the outcomes of patients with stroke are inconsistent and have not been systematically evaluated, to the authors’ knowledge.

Objective

To investigate outcomes in people with PSS compared with people without PSS.

Data Sources

MEDLINE, Embase, PsycInfo, Cochrane, LILACS, LIPECS, and Web of Science, with years searched from 1951 to January 30, 2023.

Study Selection

Observational studies that reported PSS outcomes.

Data Extraction and Synthesis

The Preferred Reporting Items for Systematic Reviews and Meta-Analyses checklist was used for abstracting data, and the Joanna Briggs Institute tool was used for risk-of-bias assessment. Data were reported as odds ratio (OR) and standardized mean difference (SMD) with a 95% CI using a random-effects meta-analysis. Publication bias was assessed using funnel plots and the Egger test. Outlier and meta-regression analyses were performed to explore the source of heterogeneity. Data were analyzed from November 2022 to January 2023.

Main Outcomes and Measures

Measured outcomes were mortality, poor functional outcome (modified Rankin scale [mRS] score 3-6), disability (mean mRS score), recurrent stroke, and dementia at patient follow-up.

Results

The search yielded 71 eligible articles, including 20 110 patients with PSS and 1 166 085 patients without PSS. Of the participants with PSS, 1967 (9.8%) had early seizures, and 10 605 (52.7%) had late seizures. The risk of bias was high in 5 studies (7.0%), moderate in 35 (49.3%), and low in 31 (43.7%). PSSs were associated with mortality risk (OR, 2.1; 95% CI, 1.8-2.4), poor functional outcome (OR, 2.2; 95% CI, 1.8-2.8), greater disability (SMD, 0.6; 95% CI, 0.4-0.7), and increased dementia risk (OR, 3.1; 95% CI, 1.3-7.7) compared with patients without PSS. In subgroup analyses, early seizures but not late seizures were associated with mortality (OR, 2.4; 95% CI, 1.9-2.9 vs OR, 1.2; 95% CI, 0.8-2.0) and both ischemic and hemorrhagic stroke subtypes were associated with mortality (OR, 2.2; 95% CI, 1.8-2.7 vs OR, 1.4; 95% CI, 1.0-1.8). In addition, early and late seizures (OR, 2.4; 95% CI, 1.6-3.4 vs OR, 2.7; 95% CI, 1.8-4.1) and stroke subtypes were associated with poor outcomes (OR, 2.6; 95% CI, 1.9-3.7 vs OR, 1.9; 95% CI, 1.0-3.6).

Conclusions and Relevance

Results of this systematic review and meta-analysis suggest that PSSs were associated with significantly increased mortality and severe disability in patients with history of stroke. Unraveling these associations is a high clinical and research priority. Trials of interventions to prevent seizures may be warranted.
Sports Participation and Transgender Youths
Authors: Sin Alexander , Rizzone Katherine , Gonzales Gilbert
Published: September 2023

This Viewpoint describes recent legislation and recommendations from statewide athletic associations regarding sports participation for transgender children and adolescents.
Screen Time and Developmental Performance Among Children at 1-3 Years of Age in the Japan Environment and Children’s Study
Authors: Yamamoto Midori , Mezawa Hidetoshi , Sakurai Kenichi , Mori Chisato ,   Japan Environment and Children’s Study Group, Kamijima Michihiro , Yamazaki Shin , Ohya Yukihiro , Kishi Reiko , Yaegashi Nobuo , Hashimoto Koichi , Mori Chisato , Ito Shuichi , Yamagata Zentaro , Inadera Hidekuni , Nakayama Takeo , Sobue Tomotaka , Shima Masayuki , Kageyama Seiji , Suganuma Narufumi , Ohga Shoichi , Katoh Takahiko
Published: September 2023

Importance

It is unclear whether increased television (TV) and DVD viewing in early childhood from age 1 year decreases development or whether poor development increases TV/DVD viewing.

Objective

To investigate the directional association between TV/DVD screen time and performance on developmental screeners in children aged 1 to 3 years.

Design, Setting, and Participants

This longitudinal cohort study analyzed data from 57 980 children and mothers from a national birth cohort, the Japan Environment and Children’s Study. Data were collected in collaboration with 15 regional centers across Japan. The mothers were recruited between January 2011 and March 2014. Analyses using random intercept, cross-lagged panel models were performed for children aged 1, 2, and 3 years. Of 100 303 live births, children with missing developmental screening test scores and screen time data, those with congenital diseases or cerebral palsy, and those diagnosed with an autism spectrum disorder were excluded. Statistical analyses were conducted from October 2022 to July 2023.

Exposures

TV and DVD screen time.

Main Outcomes and Measures

Child development at ages 1, 2, and 3 years was assessed via the mother’s or guardian’s report using the Ages and Stages Questionnaire, third edition.

Results

Of 57 980 included children, 29 418 (50.7%) were male, and the mean (SD) maternal age at delivery was 31.5 (4.9) years. A negative association between screen time and developmental scores was observed. Increased TV/DVD screen times at age 1 and 2 years were associated with lower developmental scores at age 2 and 3 years, respectively (2 years: β = −0.05; 95% CI, −0.06 to −0.04; 3 years: β = −0.08; 95% CI, −0.09 to −0.06). An obverse association was observed from the Ages and Stages Questionnaires, third edition, score in the communication domain at age 1 and 2 years to subsequent screen time (2 years: γ = −0.03; 95% CI, −0.04 to −0.02; 3 years: γ = −0.06; 95% CI, −0.07 to −0.04).

Conclusions and Relevance

In this study, increased TV/DVD screen time from age 1 year negatively affected later development. To reduce the negative consequences of excessive media use, researchers and health care professionals should encourage family media management and recommend social support for parents who tend to rely on the media.
Adaptive fuzzy event‐triggered fault‐tolerant control of switched nonlinear systems with actuator failures under state‐dependent switchings
Authors: Zhang Ronghao , Li Shi , Chen Yongsheng , Liu Ye
Published: September 2023

In this article, an adaptive fuzzy event‐triggered control problem of switched nonlinear systems with actuator failures under state‐dependent switchings is studied. Fuzzy logic systems are introduced to approximate the unknown nonlinear terms of the system. To reduce the wastage of communication resources, an adaptive fuzzy event‐triggered fault‐tolerant controller with a state‐dependent switching law is designed. Moreover, a modified hybrid switching law is also provided to avoid the fast switching phenomenon. In order to ensure the stability of the whole system, the convex combination technology and single Lyapunov function method are adopted. It is proved that all signals of the closed‐loop system are bounded. Finally, the effectiveness of the method is verified by simulation results.
Highly Nonlinear Memory Selectors with Ultrathin MoS2/WSe2/MoS2 Heterojunction
Authors: Chen Hongye , Wan Tianqing , Zhou Yue , Yan Jianmin , Chen Changsheng , Xu Zhihang , Zhang Songge , Zhu Ye , Yu Hongyu , Chai Yang
Published: September 2023

Resistive random access memory (RRAM) crossbar arrays require the highly nonlinear selector with high current density to address a specific memory cell and suppress leakage current through the unselected cell. 3D monolithic integration of RRAM array requires selector devices with a small footprint and low‐temperature processing for ultrahigh‐density data storage. Here, an ultrathin two‐terminal n‐p‐n selector with 2D transition metal dichalcogenides (TMDs) is designed by a low‐temperature transfer method. The van der Waals contact between transferred Au electrodes and TMDs reduces the Fermi level pinning and retains the intrinsic transport behavior of TMDs. The selector with a single type of TMD exhibits a trade‐off between current density and nonlinearity depending on the barrier height. By tuning the Schottky barrier height and controlling the thickness of p‐type WSe2 in MoS2/WSe2/MoS2 n‐p‐n selector for a punch‐through transport, the selector shows high nonlinearity (≈ 230) and high current density (2 × 103 A cm−2) simultaneously. The n‐p‐n selectors are further integrated with a bipolar hexagonal boron nitride memory and calculate the maximum crossbar size of the 2D material‐based one‐selector one‐resistor according to a 10% read margin, which offers the possible realization of future 3D monolithic integration.
Aqueous‐Based Inorganic Colloidal Halide Perovskites Customizing Liquid Scintillators
Authors: Lian Huiwang , Zhang Wenxia , Zou Rui , Gu Simin , Kuang Rongyi , Zhu Yunfei , Zhang Xinyue , Ma Chong‐Geng , Wang Jing , Li Yang
Published: September 2023

Compared to solid scintillators and organic liquid scintillators, aqueous‐based liquid scintillators (AbLS) have more superiority in highly flexible scalability, yet are now limited by their low light yield (≈100 photons MeV−1). Here, aqueous‐based inorganic colloidal halide perovskites with high photoluminescence quantum yield (PLQY) of three primary color luminescence up to 88.1% (red), 96% (green), and 81.8% (blue) are respectively synthesized, and a new generation of colloidal perovskite‐mediated AbLS (PAbLS) with light yield increased in comparison with the commercial scintillator AbLS is fabricated. This paper exhibits that the excellent PLQY and colloidal dispersion of halide perovskites benefit from poly(ethylene glycol) modification and this modification ensures the vacancy inhibition and formation of defect–free surfaces in an aqueous solution. Moreover, their high luminescent emission can be maintained for 100 days at low temperatures, and such modification also promises the heat‐to‐cold customization of operating temperature even in ice below 0 °C. Finally, depending on the light yield of around 3058 and 8037 photons MeV−1 at room temperature and low temperature, PAbLS with shape/size scalability exhibit their robust radiation hardness (dose rate as high as 23 mGy s−1) and conceptual application potential in high‐energy ray radiation detection from every angle of 360°.
Tailoring Enantiomeric Chiral Channels in Metal‐Peptide Networks: A Novel Foldamer‐Based Approach for Host‐Guest Interactions
Authors: Kim Jaewook , Hong Jungwoo , Park Mi Jeong , Lee Hee‐Seung
Published: September 2023

Designing chiral channels in organic frameworks presents an ongoing challenge due to the intricate control of size, shape, and functionality required. A novel approach is presented, which crafts enantiomeric chiral channels in metal‐peptide networks (MPNs) by integrating short foldamer ligands with CuI clusters. The MPN structure serves as a 3D blueprint for host‐guest chemistry, fostering modular substitution to refine chiral channel properties at the atomic scale. Incorporating hydrogen bond networks augments guest molecule interactions with the channel surface. This approach expedites enantiomer discrimination in racemic mixtures and incites adaptable guest molecules to take on specific axially chiral conformations. Distinct from traditional metal‐organic frameworks (MOFs) and conventional reticular architectures, this foldamer‐based methodology provides a predictable and customizable host‐guest interaction system within a 3D topology. This innovation sets the stage for multifunctional materials that merge host‐guest interaction systems with metal‐complex properties, opening up potential applications in catalysis, sensing, and drug delivery.
Performance Enhancement of Organic Ternary Logic Circuits through UV Irradiation and Geometry Optimization
Authors: Panigrahi Debdatta , Hayakawa Ryoma , Aimi Junko , Wakayama Yutaka
Published: September 2023

Multivalued logic (MVL) circuits offer higher information density compared with conventional binary logic circuits. However, achieving a proper balance between logic states and a low‐voltage gain remains a challenge in MVL devices. This study proposes two strategies to address this problem: using the optical absorption of organic semiconductors and optimizing device geometry. A ternary inverter is fabricated using a series circuit consisting of an antiambipolar transistor with a heterojunction of C8‐BTBT and PTCDI‐C8 semiconductors and a PTCDI‐C8 transistor. Although the inverter exhibits three distinct logic levels, it suffers from an inadequate voltage balance between the ternary logic states. To overcome this, UV light irradiation is employed first to modulate the transistor characteristics, thus improving the output voltage level and input voltage range of the logic ½ state. Subsequently, the channel length of the PTCDI‐C8 transistor is optimized to further enhance the voltage transfer characteristics of the inverter. Through these combined techniques, ideal output voltage levels are achieved for all three logic states along with an enhanced voltage gain during the transition from the logic ½ state to the logic 0 state. This work is thus an advancement toward reliable, efficient organic ternary logic circuits.
Multi‐Controllability of Ambipolar Photoconductivity in Transition Metal Dichalcogenides Van der Waals Heterostructures
Authors: Elbanna Ahmed , Wang Zeng , Liu Yuanda , Wu Qing Yang Steve , Liang Xinan , Liu Hongfei , Ooi Zi En , Jiang Mengting , Deng Jie , Sun Handong , Pan Jisheng , Shen Ze Xiang , Teng Jinghua
Published: September 2023

2D transition metal dichalcogenides (TMDs) and their van der Waals heterostructures possess great potential for optoelectronic applications thanks to their strong quantum confinement and flexibility in bandgap engineering. Photodetection based on TMDs utilizing photoconductance typically exhibits positive photoconductance resulting from the generation of photocarriers upon illumination. This study reports a SnSe2/MoS2 photodetector operating over a broadband range from deep ultraviolet to infrared wavelengths with not only a high responsivity and self‐powered feature but also ambipolar photoresponse with both positive and negative photoconductances to multi‐control parameters of wavelength, gate voltage, and laser power. The transition from positive to negative photoconductance by gate voltage and laser power indicates that charge recombination and interlayer exciton trapping result in negative photoconductance. The coexistence and controllable positive and negative photoconductance hold potential for multifunctional optoelectronic devices responding to multi‐control parameters.
Function Graded Carbon Micro‐Structures for Powerless Photon Sensing with Intriguing µm‐Scale Position Sensitivity
Authors: Karamati Amin , Qu Wangda , Bai Xianglan , Wang Xinwei
Published: September 2023

Partial laser treatment is introduced to carbon‐based microfibers to generate excellent photon sensing capability without bias. This treatment brings about a Seebeck coefficient distribution along the sample's length, out of which a photovoltage with no external bias is generated and sensed. Using a line‐shaped laser spot, carbon microfiber (CMF), graphene microfiber (GMF), and graphene aerogel fiber (GAF) are investigated for their response to µm‐scale photon irradiation. A higher sensitivity for the incident photon is found for the GAF with no position sensitivity. More Seebeck coefficient variation is also observed for the GAF considering the amount of laser power used for the laser treatment. A weaker Seebeck coefficient spatial variation is observed for the GMF compared with the GAF. However, its photovoltage shows an abrupt magnitude change from the laser‐treated region to the non‐treated one. Despite the low spatial variation of the Seebeck coefficient for the CMF, it features an excellent and accurate position‐sensitive photoresponse with polarization change over a distance of ≈100 µm. Such unique capability prompts novel applications in using partially annealed CMF for sensing the position of optical beams at the microscale.
Copper(I)‐Catalyzed Decarboxylative N‐Phosphorylation: Modular Preparation of N‐Acyl Iminophosphoranes Using Dioxazolones and Phosphines
Authors: Park Jinhwan , Krishnapriya Anattil Unnikrishnan , Park Yeongmi , Kim Minsuk , Reidl Tyler W. , Kuniyil Rositha , Son Jongwoo
Published: September 2023

Dioxazolones and phosphines have been used to access N‐acyl iminophosphoranes in copper(I) catalysis under simple thermal conditions. The synthetic utility of this protocol is demonstrated by a broad range of substrates with an excellent atom‐economy. The optimization process showed that copper demonstrated as catalytic amount toward the targeted transformation. Functionalization studies of N‐acyl iminophosphoranes were also conducted. Our reaction protocol is compatible with an example of a bioactive motif‐containing N‐acyl iminophosphorane analogue.
Ni‐Carbon Microtube/Polytetrafluoroethylene as Flexible Electrothermal Microwave Absorbers
Authors: Wu Lihong , Wang Guizhen , Shi Shaohua , Liu Xiao , Liu Jun , Zhao Jinchuan , Wang Guilong
Published: September 2023

Flexible microwave absorbers with Joule heating performance are urgently desired to meet the demands of extreme service environments. Herein, a type of flexible composite film is constructed by homogeneously dispersing a hierarchical Ni‐carbon microtube (Ni/CMT) into a processable polytetrafluoroethylene (PTFE) matrix. The Ni/CMT are interconnected into a 3D conductive network, in which the huge interior cavity of the carbon microtube (CMT) improves impedance matching and provides additional hyper channels for electromagnetic (EM) waves dissipation, and the hierarchical magnetic Ni nanoparticles enhance the synergistic interactions between confined heterogeneous interfaces. Such an ingenious structure endows the composites with excellent electrothermal performance and improves their serviceability for application under extreme environments. Moreover, under a low fill loading of 3 wt.%, the Ni/CMT/PTFE (NCP) can achieve excellent low‐frequency microwave absorption (MA) property with a minimum reflection loss of −59.12 dB at 5.92 GHz, which covers almost the entire C‐band. Relying on their brilliant MA property, an EM sensor is designed and achieved by the resonance coupling of the patterned NCP. This work opens up a new way for the design of next‐generation microwave absorbers that meet the requirements of EM packaging, proofing water and removing ice, fire safety, and health monitoring.
Decoupling the Capacity Fading in Ni‐Rich Layered Materials during High‐Temperature Cycling in the Full‐Cell System
Authors: Kim Minji , Lee Wontae , Lee Eunkang , Kim Jaeyoung , Kim Jae‐Uk , Lee Seongeun , Hwang Sunhyun , Park Dohyung , Cho Kwanghwan , Yoon Won‐Sub
Published: September 2023

The performance of commercial lithium‐ion batteries (LIBs) tends to degrade over time owing to the deterioration of key components, including cathode, anode, and electrolyte. To enhance performance, it is crucial to gain insights into the actual deterioration state of each element. Here, the high‐temperature deterioration of a Ni‐rich layered cathode is investigated, which is widely used in electric vehicles. In the refresh process after a prolonged cycle, a significant recovery of the lattice structure predominantly occurs in the discharge region. This pseudo‐deterioration of the Ni‐rich cathode within the full‐cell system is mainly due to the consumption of the Li‐ion forming the solid electrolyte interphase layer at the graphite anode during the cycle. Moreover, irreversible deteriorations that are not restored through the refresh process are observed in both charge and discharge regions. Structure analyses reveal that the long‐term cycling at the high temperature leads to a mixed fading of charge and discharge via various deterioration such as the formation of NiO‐like rock salt phase on the cathode surface and increased cation disorder in the bulk. These findings deepen the understanding of the deterioration behavior of Ni‐rich cathodes in full‐cell systems, providing insights for enhancing the performance of high‐temperature cycling.
Thiol‐Specific Silicon‐Containing Conjugating Reagent: β‐Silyl Alkynyl Carbonyl Compounds
Authors: Teng Shenghan , Zhang Zhenguo , Li Bohan , Li Lanyang , Tan Melinda Chor Li , Jia Zhenhua , Loh Teck‐Peng
Published: September 2023

Site‐specific modification of thiol‐containing biomolecules has been recognized as a versatile and powerful strategy for probing our biological systems and discovering novel therapeutics. The addition of lipophilic silicon moiety opens up new avenues for multi‐disciplinary research with broad applications in both the medicinal and material sciences. However, adhering to the strict biocompatibility requirements, and achieving the introduction of labile silicon handle and high chemo‐selectivity have been formidable. In this paper, we report silicon‐based conjugating reagents including β‐trialkylsilyl and silyl ether‐tethered alkynones that selectively react with thiols under physiological conditions. The pH‐neutral, metal‐free and additive‐free reaction yields stable products with broad substrate compatibility and full retention of silicon handles in most cases. Besides simple aliphatic and aromatic thiols, this approach is applicable in the labeling of thiols present in proteins, sugars and payloads, thereby expanding the toolbox of thiol conjugation.
The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se−Se/Te−Te Bonds
Authors: Thomas Sajesh P. , Singh Ashi , Grosjean Arnaud , Alhameedi Khidhir , Grønbech Thomas Bjørn E. , Piltz Ross , Edwards Alison J. , Iversen Bo B.
Published: September 2023

We report thermochromism in crystals of diphenyl diselenide (dpdSe) and diphenyl ditelluride (dpdTe), which is at variance with the commonly known mechanisms of thermochromism in molecular crystals. Variable temperature neutron diffraction studies indicated no conformational change, tautomerization or phase transition between 100 K and 295 K. High‐pressure crystallography studies indicated no associated piezochromism in dpdSe and dpdTe crystals. The evolution of the crystal structures and their electronic band structure with pressure and temperature reveal the contributions of intramolecular and intermolecular factors towards the origin of thermochromism—especially the intermolecular Se⋅⋅⋅Se and Te⋅⋅⋅Te chalcogen bonds and torsional modes of vibrations around the dynamic Se−Se and Te−Te bonds. Further, a co‐crystal of dpdSe with iodine (dpdSe‐I2) and an alloy crystal of dpdSe and dpdTe implied a predominantly intramolecular origin of the observed thermochromism associated with vibronic coupling.
A Photolabile Curcumin‐Diazirine Analogue Enables Phototherapy with Physically and Molecularly Produced Light for Alzheimer's Disease Treatment**
Authors: Kuang Shi , Zhu Biyue , Zhang Jing , Yang Fan , Wu Bo , Ding Weihua , Yang Liuyue , Shen Shiqian , Liang Seven H. , Mondal Prasenjit , Kumar Mohanraja , Tanzi Rudolph E. , Zhang Can , Chao Hui , Ran Chongzhao
Published: September 2023

The development of Alzheimer's disease (AD) drugs has recently witnessed substantial achievement. To further enhance the pool of drug candidates, it is crucial to explore non‐traditional therapeutic avenues. In this study, we present the use of a photolabile curcumin‐diazirine analogue, CRANAD‐147, to induce changes in properties, structures (sequences), and neurotoxicity of amyloid beta (Aβ) species both in cells and in vivo. This manipulation was achieved through irradiation with LED light or molecularly generated light, dubbed as “molecular light”, emitted by the chemiluminescence probe ADLumin‐4. Next, aided by molecular chemiluminescence imaging, we demonstrated that the combination of CRANAD‐147/LED or CRANAD‐147/ADLumin‐4 (molecular light) could effectively slow down the accumulation of Aβs in transgenic 5xFAD mice in vivo. Leveraging the remarkable tissue penetration capacity of molecular light, phototherapy employing the synergistic effect of a photolabile Aβ ligand and molecular light emerges as a promising alternative to conventional AD treatment interventions.
Recent progress of nanocatalyst in the synthesis of heterocyclic compounds by barbituric acids
Authors: Safari Elnaz , Poursattar Marjani Ahmad , Sadrmohammadi Mohsen
Published: September 2023

Heterocycles and barbituric acid analogs are particularly used in developing and designing new drugs because of their versatile binding properties for different biotargets. They are present in many natural compounds, vitamins, drugs, and biologically active molecules such as anticancer, antibiotic, antidiabetic, anti‐inflammatory, antidepressant, anti‐HIV, antimicrobial, and insecticidal agents. Using co‐friendly techniques under nanocatalyst conditions drives the synthesis of these bioactive compounds toward green chemistry. This review will investigate the nanocatalysts, including magnetic nanocatalysts, nano metal‐based catalysts, organo‐nanocatalysts, and metal–organic frameworks (MOFs) nanocatalysts employed in the synthesis and design of heterocyclic compounds by barbituric acids from 2017 to 2022.
2‐Oxoquinoline‐based‐thiosemicarbazones as multitargeting neurotherapeutics against Alzheimer's disease: In vitro and in silico studies of MAO and ChE inhibitors
Authors: Basri Rabia , Fatima Shamool , Jalil Saquib , Imran Aqeel , Fatima Noor , Syed Asad , Bahkali Ali H. , Iqbal Jamshed , Shafiq Zahid
Published: September 2023

Alzheimer's disease (AD) presents a multifactorial neurological disorder with multiple enzyme involvement in its onset. Conventional monotherapies fall short in providing long‐term relief, necessitating the exploration of alternative multitargeting approaches to address the complexity of AD. Therefore, the design, synthesis, and in vitro and in silico evaluation of 2‐oxoquinoline‐based thiosemicarbazones 9a–r as multipotent analogs, able to simultaneously inhibit the cholinesterase (ChE) and monoamine oxidase (MAO) enzymes for the potential treatment of AD, are reported. In the in vitro experimental evaluation of MAO and ChE inhibition, all tested compounds demonstrated remarkable potency exhibiting nonselective inhibition of both MAO‐A and MAO‐B, and selective inhibition of acetylcholinesterase (AChE) over butyrylcholinesterase (BChE), with 9d, 9j, and 9m evolving as lead compounds for MAO‐A, MAO‐B, and AChE, displaying IC50 values of 0.35 ± 0.92, 0.50 ± 0.02, and 0.25 ± 0.13 μM, respectively. Moreover, the kinetic studies revealed that all tested compounds inhibited all three enzymes through a competitive mode of inhibition. Furthermore, the molecular docking studies of the most active compounds revealed several crucial interactions, particularly hydrogen bonding interactions. These interactions were observed between the nitrogen and sulfur atoms of thiosemicarbazone and the nitrogen and oxygen atoms of the quinoline ring with various amino acids, suggesting the strong interactions of these compounds with the enzymes.
Investigating dynamics of lentiviral vector secretion from HEK293T producer cells using a fractionated perfusion system
Authors: Timmins Lauren M. , Erickson Patrick , Parekkadan Biju
Published: September 2023

Mammalian cell culture is quickly becoming the go to engineering vehicle to mass produce viral vectors in a manner that is safe, convenient, reproducible, and cost and scale effective. Human embryonic kidney (HEK293) cells, in particular, have been utilized and customized (via differentiated transgene expression, modified culture parameters, addition of cytostatic culture agents) to increase vector yields. However, less attention has been made to understanding innate processes within the cells (such as, immune response, cell cycle, metabolism) themselves to better control or increase viral vector product yield. Accordingly, herein, the variation in viral production was studied from HEK cells over time using a one‐way perfusion system and bioreactor to study the impact of external factors on secretion dynamics without retrotransduction. Specifically, the impact of cell density on viral titer, transduction efficiency, and LDH, was studied. Next, we look at the impact of using an inflammatory reporter cell line on viral output, and the secretion dynamics from HEK cells when we use sodium butyrate (cell cycle arrest agent). Lastly, we assess how downregulation of the PDK pathway increases viral titer. Altogether, we investigated the impact of various interventions to increase transient protein expression and viral output from HEK cells in a controlled and measurable environment to ultimately increase the efficiency of HEK cells for downstream clinical applications.
Importance of three physiological models for teaching the carbohydrates metabolism
Authors: Garófalo Sofía Judith , Galagovsky Lydia , Alonso Manuel
Published: September 2023

In this work extensive misconceptions of university students' —from nutrition area— about the metabolism of carbohydrates (CHM) in the human organism have been documented. The results lead to consider their difficulties concerning the learning of a complex set of imbricated biochemical models involved. Pursuant to these considerations, three physiological models are proposed as conceptual axes around which CHM in the human organism could be taught, in order to avoid fragmentation in students' knowledge and to give simple physiological contexts where to integrate those biochemical models. These contexts are: (a) a physiological model of the carbon cycle, (b) a physiological model of blood glucose uptake and homeostasis, and (c) a physiological model of the availability of small metabolites.
Exploring goal taxonomies using the goal‐based outcome tool in children and young people's mental health settings
Authors: Mok Wing Chi , Vainieri Isabella , Jacob Jenna
Published: September 2023

Formulating goals in therapy may facilitate young people and parents/carers' engagement in mental health support settings. A number of goal taxonomies have been developed, which involve organising goals set at the outset of therapy into themes. Goal taxonomies are considered useful for service planning and outcome purposes. In order to build on the knowledge about what young people choose as goals, and to best support good practice, it is important to explore the links and differences between the existing goal taxonomies. A systematic review was conducted to identify goal taxonomies based on goals set using the goal‐based outcome (GBO) tool. Framework analysis was conducted to investigate the extracted goal taxonomies. Overall, four core concepts were identified: “Goals targeting specific issues, symptoms, emotions, and behaviours,” “Return and engage in activities,” “Personal growth goals” and “Interpersonal goals.” Goals regarding specific issues, personal growth and interpersonal relationships were present in most studies. Using these overarching core concepts could be useful for practitioner‐level, or service‐level organisation of goal data, for activities such as service planning and delivery.
Composition of methionine and association with lysine and tryptophan in subtropically adapted maize breeding lines
Authors: Duo Hriipulou , Muthusamy Vignesh , Mishra Subhra J. , Chhabra Rashmi , Chand Gulab , Mehta Brijesh K. , Devlash Rakesh , Guleria Satish K. , Pal Digvender , Kumar Rajesh , Zunjare Rajkumar U. , Hossain Firoz
Published: September 2023

Background and Objectives

Maize protein lacks essential amino acids such as methionine, lysine, and tryptophan. Limited information exists on the composition and variation of kernel methionine. This study assessed methionine variability and its relationship with lysine and tryptophan in 48 maize inbreds at three locations.

Findings

Analysis of variance revealed significant variations for kernel methionine (0.031%–0.305%), lysine (0.118%–0.389%), and tryptophan (0.014%–0.090%). CML591 (0.305%), CML596 (0.286%), and CML421 (0.284%) showed the highest methionine content. The average methionine contents were comparable in quality protein maize (0.156%) and normal (0.150%) lines. Methionine showed no correlation with lysine (r = 0.001) and tryptophan (r = 0.032), while lysine and tryptophan showed a strong positive correlation (r = 0.740). CML165 (methionine: 0.272%, lysine: 0.320%, and tryptophan: 0.090%), CML186 (methionine: 0.254%, lysine: 0.389%, and tryptophan: 0.083%), and HKI163 (methionine: 0.252%, lysine: 0.331%, and tryptophan: 0.084%) were promising genotypes considering all three amino acids.

Conclusions

Multilocation experiment revealed genetic variation in methionine, lysine, and tryptophan among the 48 inbreds. No negative correlation between the amino acids indicates the possibility of developing cultivars high in methionine, lysine, and tryptophan.

Significance and Novelty

Identified nutrient‐rich inbreds will serve as valuable germplasm in maize biofortification programs. This is the first report on methionine variability and its relationship with lysine and tryptophan in subtropical maize.
CO2 Reforming with Ethanol for Syngas Production over SiO2‐M@CeO2 Catalysts (M: Cu,Ni): Impact of Active Metal
Authors: Li Ting , Tian Yuhao , Yan Xiaoli , Cai Weijie
Published: September 2023

It is of great significance to design the high‐performance catalysts with good anti‐sintering and coke‐resistance properties which can efficiently convert undesirable greenhouse gas CO2 with bio‐ethanol into high value‐added syngas. To be addressed this issue, a series of SiO2‐M@CeO2 (M: Cu, Ni) catalysts with typical core@shell structure were prepared via a strong electrostatic adsorption technique. Interestingly, Ni‐based catalyst exhibited the higher activity towards ethanol dry reforming at the relatively low temperature. Meanwhile, SiO2‐Ni@CeO2 catalyst presented good stability after a 50 h tests while a serious deactivation occurred for SiO2‐Cu@CeO2 within 20 h reaction due to heavy carbon deposition and reactor blockage. Herein, the higher catalytic performance of SiO2‐Ni@CeO2 catalyst compared to SiO2‐Cu@CeO2 sample was attributed to the combination effect of its mesoporous structure, higher Ni dispersion as well as stronger Ni‐Ce interaction as depicted by BET, TEM, XPS, H2‐TPR and XRD findings. This work might provide meaningful information to other reforming processes involving coke formation and active metal sintering problems.
Alcohol‐Treated Nickel‐Aluminium Catalyst for One‐Step Highly‐Selective Butane‐1,4‐Diol Synthesis from 2‐Butyne‐1,4‐Diol
Authors: Zhu Caixia , He Yingluo , Kushita Ryotaro , Peng Xiaobo , Ma Qingxiang , Liu Guangbo , Wu Jinhu , Yang Guohui , Tsubaki Noritatsu
Published: September 2023

The development of low‐cost nickel‐based catalysts for direct and selective hydrogenation of 2‐butyne‐1,4‐diol (BYD) to butane‐1,4‐diol (BAD) under mild conditions is an important and attractive target both in fundamental research and industrialization but remains a formidable challenge. The primary industrial production method for BAD synthesis is a two‐step reaction route, which suffers from complicated catalysis conditions and high equipment costs. Herein, we develop a high‐performance catalyst via a facile alcohol‐treated strategy for highly selective BAD synthesis at moderate operation conditions. The as‐synthesized NA‐80E catalyst exhibits outstanding BAD selectivity of 98.82 % and BYD conversion of 100 % at 60 °C and 4 MPa, outperforming most reported results for BAD formation in a one‐step process and even being comparable to those obtained by the two‐step hydrogenation reaction route under much high temperatures and pressures. Crucially, we found that after facile alcohol (ethanol) treatment, an intriguing phenomenon of suppression of adjacent acid‐assisted hydrogenolysis via extra acidic Al species at the NiO‐Al2O3 interface is observed, contributing to the precise enhancement of BAD selectivity by inhibiting the production of butanol (BOL). This facile alcohol‐treated method along with the revealed mechanism of blocked hydrogenolysis opens vast possibilities for designing high‐performance and highly‐selective hydrogenation catalysts.
Elucidating the Electronic Nature of Rh‐based Paddlewheel Catalysts from 103Rh NMR Chemical Shifts: Insights from Quantum Mechanical Calculations
Authors: Gui Xin , Sorbelli Diego , Caló Fabio P. , Leutzsch Markus , Patzer Michael , Fürstner Alois , Bistoni Giovanni , Auer Alexander A.
Published: September 2023

The tremendous importance of dirhodium paddlewheel complexes for asymmetric catalysis is largely the result of an empirical optimization of the chiral ligand sphere about the bimetallic core. It was only recently that a H(C)Rh triple resonance 103Rh NMR experiment provided the long‐awaited opportunity to examine – with previously inconceivable accuracy – how variation of the ligands impacts on the electronic structure of such catalysts. The recorded effects are dramatic: formal replacement of only one out of eight O‐atoms surrounding the metal centers in a dirhodium tetracarboxylate by an N‐atom results in a shielding of the corresponding Rh‐site of no less than 1000 ppm. The current paper provides the theoretical framework that allows this and related experimental observations made with a set of 19 representative rhodium complexes to be interpreted. In line with symmetry considerations, it is shown that the shielding tensor responds only to the donor ability of the equatorial ligands along the perpendicular principal axis. Axial ligands, in contrast, have no direct effect on shielding but may come into play via the electronic
‐effect that they exert onto the neighboring equatorial sites. On top of these fundamental interactions, charge redistribution within the core as well as the electronic
‐effect of ligands of different donor strengths is reflected in the recorded 103Rh NMR shifts.
Facile Synthesis of Ru Nanoboxes with a Hexagonal Close‐Packed Structure by Templating with Ag Nanocubes and Their Catalytic Properties
Authors: Yu Hansong , Ding Yong , Wang Peng , Nguyen Quynh , Xia Younan , Qin Dong
Published: September 2023

Noble‐metal nanoboxes offer an attractive form of nanomaterials for catalytic applications owing to their open structure and highly efficient use of atoms. Herein, we report the facile synthesis of Ag−Ru core−shell nanocubes and then Ru nanoboxes with a hexagonal close‐packed (hcp) structure, as well as evaluation of their catalytic activity toward a model hydrogenation reaction. By adding a solution of Ru(acac)3 in ethylene glycol (EG) dropwise to a suspension of silver nanocubes in EG at 170 °C, Ru atoms are generated and deposited onto the entire surface of a nanocube. As the volume of the RuIII precursor is increased, Ru atoms are also produced through a galvanic replacement reaction, generating Ag−Ru nanocubes with a hollow interior. The released Ag+ ions are then reduced by EG and deposited back onto the nanocubes. By selectively etching away the remaining Ag with aqueous HNO3, the as‐obtained Ag−Ru nanocubes are transformed into Ru nanoboxes, whose walls are characterized by an hcp structure and an ultrathin thickness of a few nanometers. Finally, we evaluated the catalytic properties of the Ru nanoboxes with two different wall thicknesses by using a model hydrogenation reaction; both samples showed excellent performance.
Modular Bicyclophane‐Based Molecular Platforms
Authors: Kalle Daniel , Bahr Joshua , Keller Tristan Johannes , Kleine Büning Julius B. , Grimme Stefan , Bursch Markus , Jester Stefan‐Sven , Höger Sigurd
Published: September 2023

The modular synthesis of a series of nanoscale phenylene bicyclophanes with an intraannular orthogonal pillar is described. The compounds are obtained by a Suzuki cross‐coupling condensation and are characterized by mass spectrometry and NMR spectroscopy as well as in situ scanning tunneling microscopy at the solid/liquid interface of highly ordered pyrolytic graphite. In addition, their structures and conformations are supported by quantum chemical calculations, also after adsorption to the substrate. A set of two alkyl chain substitution patterns as well as a combination of both were investigated with respect to their ability to form extended 2D‐crystalline superstructures on graphite. It shows that not the most densely packed surface coverage gives the most stable structure, but the largest number of alkyl chains per molecule determines the structural robustness to alterations at the pillar functionality.
Principles of artificial intelligence and its application in cardiovascular medicine
Authors: Wieneke Heinrich , Voigt Ingo
Published: September 2023

Artificial intelligence (AI) represents a rapidly developing field. Its use can improve diagnosis and therapy in many areas of medicine. Despite this enormous progress, many physicians perceive it as a black box and are skeptical about it. This review will present the basics of machine learning. Different classifications of artificial intelligence, such as supervised versus unsupervised and discriminative versus generative AI, are given. Analogies to human intelligence are discussed as far as algorithms are oriented toward it. In the second step, the most common models like random forest, k‐means clustering, convolutional neural network, and transformers will be presented in a way that the underlying idea can be understood. Corresponding medical applications in cardiovascular medicine will be named for all models, respectively. The overview is intended to show that the term artificial intelligence covers a wide range of different concepts. It should help physicians understand the principles of AI to make up one's minds about its application in cardiology. It should also enable them to evaluate results obtained with AI's help critically.