bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation the Accuracy of Three-Dimensional virtual Surgical Planning for Maxillary Positioning in Orthognathic Surgery: Prospective Clinical Study
Authors: Karabala Abdalrahman J. , Taha Moustafa M. , Aziz Mahmoud Yehia Abdul
Published: January 2025

Background: Dento-facial distortions was known as a specific type of deformities which affect jaws and
dentition. The incidence of dentofacial deformaties is rely on genetic and sociofactors. Orthognathic surgeries
purposed to rectify dento-facial distortion, functional and aesthetic issues. The success was no only depend on
the orthogathic surgeries, but although; accuracy and detailes management plan. Therefore; this study aims to
evaluate the accuracy of 3D virtual surgical planning for maxillary positioning and orientation in orthognathic
surgery via comparison of preoperative planning and postoperative actual results.
Materials and Methods: In this prospective clinical study was enrolled 11 patients diagnosed with dentofacial
abnormalities of the jaws cannot be managed with conventional orthodontics techniques underwent
orthognathic surgery was conducted at outpatient clinic of the department of Oral and Maxillofacial Surgery,
Faculty of Dentistry, Ain Shams University.
Results: The results showed non statistically significant difference between the virtual plan and the actual
postsurgical outcome. Only minor inaccuracies were present; none of these discrepancies affected the clinical
result for the sample included in this study. The inter-observer reliability was assessed by weighted Kappa,
which was 0.947, indicating almost perfect agreement between the two assessors. Assessment of the points
distances to the FHP in the virtually plan 3D model (mean=45.72mm, SD=8.49mm) in the comparison to the
postoperative 3D model (mean=45.80mm, SD=8.54mm) showed a non-significant statistical difference where
P=0.186. Assessment of the points distances to the MSP in the virtually plan 3D model (mean=17.09mm,
SD=8.54mm) in the comparison to the postoperative 3D model (mean=17.10mm, SD=8.49mm) showed a nonsignificant statistical difference where P=0.877. Assessment of the points distances to the CP in the virtually
plan 3D model (mean=55.85mm, SD=12.39mm) in the comparison to the postoperative 3D model
(mean=55.85mm, SD=12.36mm) showed a non-significant statistical difference where P=0.960. Conclusion:
No significant differences between 3D virtual surgical planning for maxillary positioning and orientation and postoperative 3D model. 3D virtual surgical planning was highly accurate in dentofacial abnormalities
"Navigating Diagnostic Pitfalls In Isolated Neurosarcoidosis: A Case Of Simulated Meningioma".
Authors: Ray Dr M Premjit , Raman Dr BVS , V Dr Yeshwanth , Sekhar kand Dr Himansu
Published: January 2025

Background: Sarcoidosis, a systemic inflammatory condition, can involve the central nervous system (CNS) in
approximately 10% of cases, with isolated neurosarcoidosis occurring in 10-20%.
Case Presentation: We present a case of a 55-year-old female with three months of headaches and swaying
episodes. Imaging revealed a left-sided hypodense lesion, confirmed by MRI as a thickening of the dura and
pachymeninges. Biopsy led to an unexpected diagnosis of non-necrotizing granulomatous inflammation
consistent with sarcoidosis.
Discussion: This case illustrates the diagnostic challenges of neurosarcoidosis, which can mimic other
conditions like meningioma. Accurate diagnosis requires a multidisciplinary approach, especially due to the
nonspecific nature of clinical and imaging findings. Conclusion: Neurosarcoidosis should be a key differential diagnosis for ambiguous CNS lesions, emphasizing the need for tissue sampling and awareness of its varied presentations.
Role Of Apoptosis In Health And Diseased Teeth
Authors: Singhal Dr. Ibadat , Gupta Dr. Shally , Gulati Dr. Anubha
Published: January 2025

.
Measuring Intracompartmental Pressure Of Extremities In Burn Patients Using Whiteside And Saline Water Column Methods: A Comparative Study
Authors: J.J Dr.Lankaram , Prasanna Dr.K. , K.R Dr.Deepakraj , Nellaiappar Dr.P.
Published: January 2025

Compartment syndrome is a serious complication in burn patients, particularly those with circumferential or
electrical burns involving extremities. Early diagnosis and intervention are critical but challenging due to
unreliable clinical signs. This study evaluates two methods for measuring intracompartmental pressure (ICP)—
the Whiteside method and the saline water column method—based on accuracy, ease of use, and correlation
with clinical and intraoperative findings. Conducted on 50 patients over a year in a tertiory burn care center, the study demonstrates that ICP measurement significantly aids decision-making, reducing limb loss and improving overall outcomes
“Prevalence and risk factors of laryngitis among suspected patients attending otolaryngology department of a tertiary care hospital”
Authors: Islam Dr. Mohammad Asraful , Choudhury Prof. Dr. A. Allam , Akter Dr. Hasina , Kamal Dr. Md. Nadim , Islam Md. Taiful
Published: January 2025

Introduction: Laryngitis, also known as laryngopharyngeal reflux disease (LPR) refers to the inflammation of the
laryngeal mucosa with resulting dysphonia, and pain or discomfort in the anterior neck. Common symptoms of
laryngeal inflammation are voice changes, early vocal fatigue, or a dry cough. This study aimed to identify the
risk factors and prevalence of laryngitis among suspected patients attending the otolaryngology department for
early diagnosis and management.
Methods: This was a retrospective study conducted in the Department of Otolaryngology (ENT), Bangabandhu
Sheikh Mujib Medical University, Dhaka, Bangladesh, from March 2024 to August 2024. In this study, we
included 100 patients with laryngopharyngeal reflux symptoms irrespective of gender attending the ENT
department at our institution.
Result: Out of 100 patients, the age group between 21 and 30 years was most commonly seen with a mean age
of 37.39±18.92 years. Most of our study patients (62%) were male and 38% were female. The most common
presenting symptoms were hoarseness of voice (86%), chronic cough (34%), thyroid swelling (27%), and vocal
fatigue (21%). Most of our study patients (32%) had growth supraglottic, and growth laryngopharynx (29%). The
prevalence of Laryngitis was 72% followed by left vocal cords nodule (12%) and left & right vocal cord polyps
(5%). Smoking (42%) and vocal abuse (28%) were the most common risk factors.
Conclusion: The findings show that Laryngitis is highly prevalent among patients attending ORL services at our study institution. The most common presenting symptoms were hoarseness of voice, chronic cough, thyroid swelling, and vocal fatigue.
Diagnostic Pitfalls: An Odontogenic Cutaneous Sinus Tract Masquerading As Chromoblastomycosis
Authors: Jasmine. C Dr. Shabina , Thomas Dr. Tom , A Dr. Roshni. , S Dr. Arjun.
Published: January 2025

Odontogenic cutaneous sinus tracts occurring in the facial and neck areas are uncommon and pose a diagnostic
difficulty for clinicians due to their potential association with various conditions. This case report details the
successful management of a non-healing odontogenic sinus tract in the chin area, which had previously been
histopathologically diagnosed and treated as chromoblastomycosis. The patient was presented with a persistent
sinus tract with purulent discharge that had not responded to previous treatments. A thorough clinical
examination and radiographic imaging revealed an underlying dental infection as the cause of the sinus tract.
The excision of the sinus tract was performed, along with extraction of teeth to address the underlying infection.
The patient experienced complete resolution of the sinus tract and remained asymptomatic during follow-up visits.
This case highlights the importance of a comprehensive approach to diagnose and treat odontogenic sinus tracts, successful outcomes achievable through a combination of surgical intervention and dental management.
Innovations In Pediatric Sepsis Management: From Biomarkers To Bedside Monitoring
Authors: Iragamreddy Dr. Venugopal Reddy
Published: January 2025

Sepsis remains a leading cause of mortality in children worldwide, with its management posing unique challenges
due to its complex pathophysiology and rapid progression. Recent advancements in biomarkers and bedside
monitoring technologies are transforming the early detection and management of pediatric sepsis. This review
highlights key innovations, including the role of novel biomarkers, point-of-care testing, and advanced
monitoring tools, in improving outcomes for children with sepsis. By evaluating current evidence and emerging trends, this article provides insights into optimizing pediatric sepsis care and reducing global mortality rates
Oral Microbiome And Systemic Health: Exploring The Link Between Periodontal Disease And Chronic Conditions
Authors: . .
Published: January 2025

The literature review clearly established that human oral microbiota control oral and systemic health. Current
studies show that periodontal disease has close links with chronic diseases such as cardiovascular diseases,
diabetes, and rheumatoid arthritis. In the context of this review, the complex interplay between oral microbiota
changes, oral inflammation and systemic inflammation will be discussed, with reference to bacterial
translocation, immunomodulation, and systemic inflammatory response. Knowledge of these pathways suggests directions regarding intercessions of the human diseases and favors the vital role of dental hygienic practices in reducing body diseases.
Association Between Clinical Features And Imaging Findings In Patients With Lumbosacral Radiculopathy: A Single Centre Study
Authors: . .
Published: January 2025

Introduction
Lumbar spinal stenosis (LSS) is characterized by the narrowing of spinal areas such as the central canal and
lateral recess, leading to symptoms like lower extremity pain and neurogenic intermittent claudication due to
compressed neural and vascular structures. Despite the clear symptoms, defining LSS through imaging and
clinical criteria remains challenging. Magnetic resonance imaging (MRI) is crucial for identifying these
anatomical changes, yet its effectiveness is questioned due to the presence of imaging-defined LSS in
asymptomatic individuals. This study seeks to enhance MRI evaluation methods and investigate the correlation
between clinical manifestations of LSS and imaging findings, aiming to establish a practical morphological
classification for clinical relevance.
Methodology
The study utilized a retrospective analysis of medical records from a large tertiary care center, focusing on patients
diagnosed with lumbosacral disorders. Demographic data were collected and analyzed for age and sex
distribution. Clinical data included diagnoses and MRI findings, which were categorized and quantified. The
prevalence of specific signs of L5 and S1 radiculopathy was also assessed through clinical examination records.
Results
The mean age of patients was slightly higher for females (46.8 years) than males (46.3 years), with a greater
variability in age among males (standard deviation: males 14.5 years, females 12.7 years). The most common
diagnosis was Posterior Intervertebral Disc (PIVD), accounting for 80.7% of cases. MRI findings revealed that
disc prolapse was the most prevalent issue, noted in 56.4% of patients. Clinical signs consistent with L5
radiculopathy, such as Extensor Hallucis Longus weakness, were present in 60% of patients, while signs of S1
radiculopathy like absent ankle jerk reflex were observed in 67.2% of cases.
Discussion
The study highlights a slight age variation between genders and a higher incidence of PIVD among lumbosacral
disorders. The significant prevalence of disc prolapse on MRI and the common clinical manifestations of L5 and
S1 radiculopathy underline the need for thorough clinical and radiological assessments in diagnosing and
managing these conditions. The data suggest that targeted interventions based on specific diagnostic findings
may improve patient outcomes.
Conclusion
Our findings emphasize the importance of demographic and clinical profiling in understanding and managing
lumbosacral disorders. The high prevalence of PIVD and specific MRI findings such as disc prolapse should
prompt clinicians to consider these factors in their diagnostic and therapeutic approaches. Additionally, the frequent clinical signs of radiculopathy observed underline the critical role of comprehensive clinical evaluations in the effective treatment of spinal disorders
Appréciation Des Questions De Biologie Posées Aux Examens D’état Et De Fin D’année Dans Les Classes De 6e Année De 2016 – 2018 Pour L’option Chimie – Biologie En Ville De Beni
Authors: Jean Kyakimwa Kayungula
Published: January 2025

La présente étude a pour objectif d’examiner l’adéquation entre la matière enseignée et le contenu du programme
national, d’apprécier les questions construites par les enseignants de Biologie 6e année secondaire et les
questions d’Examens d’Etat afin d’y relever les différents niveaux taxonomiques de Bloom, de vérifier la
cohérence entre les questions des examens de fin d’année et le contenu du programme de Biologie 6e année
secondaire ces dernières années de 2016 à 2018. L’analyse de contenu et l’analyse statistique portées à ces
questions montrent que les examinateurs nationaux et locaux accordent une importance similaire aux différents
articles du cours de Biologie 6 e année.
Ainsi, sur 45 questions des compositeurs des Examens d’Etat, 37 questions (soit 82,2%) des enseignants
concernent les matières ciblées par ceux – ci.
L’élève ayant donc bien maitrisé la matière enseignée pourrait satisfaire sans difficulté à l’épreuve.
Ces mêmes analyses prouvent que la connaissance est l’aptitude la plus évaluée aux Examens d’Etat (soit 51,1%) et aux examens de fin d’année (soit 44,5%). Pendant la période de notre investigation, l’aptitude « évaluation » n’a pas été mesurée
Du Code Érotique Dans Le Langage Des Prostituées Et Leurs Clients A L’immoralité Sénile Et Juvénille : Cas De La Ville De Beni En 2022
Authors: Mukohe Par Madeleine Kangitsi Butu
Published: January 2025

Le discours érotique n’est pas seulement pas l’apanage des femmes et filles aux mœurs légères y compris leurs
amants. Dans les romans de Marcel Sony Labou Tansi et de Calixthe Beyala notamment ; il est développé sans
pudeur. Est-ce pour dénoncer les maux perpétrés contre les sujets violés par leurs bourreaux ? Au-delà de tout
cela, il y a tout un code érotique par lequel échangent les prostituées et leurs clients. Il est de plus en plus hostile
et dangereux tant pour les couples que pour les jeunes qui doivent normalement bien vivre. De l’autre côté, on enregistre des gestes, des mots, des expressions pour traduire les sentiments. Ce langage est systématiquement véhiculé
Exploring the Dynamics of Inflation, Interest Rates, and Bond Yields: A Comprehensive Regression Model Comparison
Authors: Marisetty Nagendra
Published: January 2025

This research presents a comprehensive analysis of the impact of key macroeconomic indicators, including 10-
year Government Securities (10Y GSec) yields, 91-day Treasury Bill (TB) rates, interest rates, inflation, exchange
rates, foreign reserves, gold prices, equity market indices (NSE Nifty), FDI, and Month-on-Month (MoM) basis
returns, on interest rates, inflation, yields and vice-versa in India, using data from 2018 to 2023. The study
employs multivariate correlation analysis to identify the relationships among these variables, revealing
significant patterns such as the strong correlation between bond yields and interest rates, as well as the inverse
relationship between equity market performance and bond yields. This research highlights the influence of
monetary policy, external reserves, inflation, FDI, and equity markets in shaping bond yields and interest rates,
with gold and equity markets acting as safe-haven assets during times of economic uncertainty.
A key focus of this research is a detailed comparison of five regression models— Ordinary Least Squares (OLS),
Heteroscedasticity-Corrected (HSC), Tobit, Logistic, and the Transformed First Difference (FD) OLS—used to
analyze the relationships among these macroeconomic variables. The study demonstrates that the HSC and
Logistic regressions provide the most robust and reliable insights, with the HSC model exhibiting the highest
explanatory power in capturing the variance in bond yields, interest rates, and inflation. The analysis underscores
the importance of selecting the right regression model to accurately capture the dynamics of financial markets,
as model performance varies significantly. This comprehensive study offers a nuanced understanding of the interplay between macroeconomic indicators and financial outcomes, emphasizing the critical role of regression models in enhancing the accuracy of economic forecasting.
Exploring The Dynamics Of Inflation, Interest Rates, And Bond Yields: A Comprehensive Regression Model Comparison
Authors: Marisetty Nagendra
Published: January 2025

This research presents a comprehensive analysis of the impact of key macroeconomic indicators, including 10-
year Government Securities (10Y GSec) yields, 91-day Treasury Bill (TB) rates, interest rates, inflation, exchange
rates, foreign reserves, gold prices, equity market indices (NSE Nifty), FDI, and Month-on-Month (MoM) basis
returns, on interest rates, inflation, yields and vice-versa in India, using data from 2018 to 2023. The study
employs multivariate correlation analysis to identify the relationships among these variables, revealing
significant patterns such as the strong correlation between bond yields and interest rates, as well as the inverse
relationship between equity market performance and bond yields. This research highlights the influence of
monetary policy, external reserves, inflation, FDI, and equity markets in shaping bond yields and interest rates,
with gold and equity markets acting as safe-haven assets during times of economic uncertainty.
A key focus of this research is a detailed comparison of five regression models— Ordinary Least Squares (OLS),
Heteroscedasticity-Corrected (HSC), Tobit, Logistic, and the Transformed First Difference (FD) OLS—used to
analyze the relationships among these macroeconomic variables. The study demonstrates that the HSC and
Logistic regressions provide the most robust and reliable insights, with the HSC model exhibiting the highest
explanatory power in capturing the variance in bond yields, interest rates, and inflation. The analysis underscores
the importance of selecting the right regression model to accurately capture the dynamics of financial markets,
as model performance varies significantly. This comprehensive study offers a nuanced understanding of the interplay between macroeconomic indicators and financial outcomes, emphasizing the critical role of regression models in enhancing the accuracy of economic forecasting
Higher Education And Employability In India: An Overview
Authors: Shettar Dr. Rajeshwari M.
Published: January 2025

India has one of the largest higher education systems in the world that stands second in terms of the higher
education network. The structure of Indian higher education is three layered, consisting of universities, colleges
and courses. The universities and colleges work in unison with regulatory as well as accreditation bodies to
deliver standardized education. Employability is the possession, by an individual of the qualities and
competencies required to meet the changing needs of employers and customers for the realization of set goals.
It is the fulfillment of employer’s unique requirements. The concern for employability is growing more day by
day with the advancement in educational sector on the magnitude of new reforms. India has one of the fastest
growing economies in the world and the highest working age population. This article covers the concept of
employability, Indian higher education system, pillars of an effective placement department and to study the
role of governments in skill building and employment. The present study is based on secondary data. The data
has been extracted from the various sources like research articles, publications from government of India, and
authenticated websites. The study found that, in the evolving landscape of higher education, the placement
department plays a pivotal role in bridging the gap between academic preparation and employability
opportunities. The study also found that, industry integration is crucial for creating a seamless transition from classroom to career
A methodology to abridge microdosimetric distributions without a significant loss of the spectral information needed for the RBE computation in carbon ion therapy
Authors: Parisi Alessio , Beltran Chris J. , Furutani Keith M.
Published: May 2023

Background

In order to compute the relative biological effectiveness (RBE) of ion radiation therapy with the Mayo Clinic Florida microdosimetric kinetic model (MCF MKM), it is necessary to process entire microdosimetric distributions. Therefore, a posteriori RBE recalculations (i.e., for a different cell line or another biological endpoint) would require whole spectral information. It is currently not practical to compute and store all this data for each clinical voxel.

Purpose

To develop a methodology that allows to store a limited amount of physical information without losing accuracy in the RBE calculations nor the possibility of a posteriori RBE recalculations.

Methods

Computer simulations for four monoenergetic 12C ion beams and a 12C ion spread‐out Bragg peak (SOBP) were performed to assess lineal energy distributions as a function of the depth within a water phantom. These distributions were used in combination with the MCF MKM to compute the in vitro clonogenic survival RBE for human salivary gland tumor cells (HSG cell line) and human skin fibroblasts (NB1RGB cell line). The RBE values were also calculated with a new abridged microdosimetric distribution methodology (AMDM) and compared with the reference RBE calculations using the entire distributions.

Results

The maximum relative deviation between the RBE values computed using the entire distributions and the AMDM was 0.61% (monoenergetic beams) and 0.49% (SOBP) for the HSG cell line, while 0.45% (monoenergetic beams) and 0.26% (SOBP) for the NB1RGB cell line.

Conclusion

The excellent agreement between the RBE values computed using the entire lineal energy distributions and the AMDM represents a milestone for the clinical implementation of the MCF MKM.
Highly Conductive Hierarchical TiO2 Micro‐Sheet Enables Thick Electrodes in Sodium Storage
Authors: Wang Chunting , Yao Qian , Wang Mingyue , Zheng Cheng , Wang Nana , Bai Zhongchao , Yang Jian , Dou Shixue , Liu Huakun
Published: May 2023

TiO2‐based materials are considered to be the promising anodes of sodium‐ion batteries (NIBs) because of their high safety and good stability. However, their low specific capacity and high safety operating voltage plateau impose a severe challenge for high energy density batteries. Herein, interconnected micro‐sheets consisting of carbon nanotubes and sulfur doped TiO2 (CNT/S‐TiO2) are synthesized via an ultrasonic process and subsequent calcination, enabling the fabrication of high‐performance material. The utilization of SWCNT overcomes the structure instabilities during electrode preparation of thick electrodes. The incorporation of SWCNT and sulfur dopants in the CNT/S‐TiO2 composite not only enhances conductivity but also improves ion transport dynamics, resulting in rapid charge delivery and high specific capacity at the thick electrode level. Consequently, CNT/S‐TiO2 demonstrates excellent rate performance (from 0.3 to 15 C, with 72.4% capacity retention) and long cycling stability (10000 cycles at a load of 1.96 mg cm−2). More importantly, the high S‐TiO2 content (90%) in the thick electrode (21.2 mg cm−2) achieves a high areal capacity retention of 3.4 mA h cm−2 after 100 cycles, which surpasses the actual application requirements.
Ultra‐Narrow‐Bandwidth Deep‐Red Electroluminescence Based on Green Plant‐Derived Carbon Dots
Authors: Chen Renjing , Wang Zhibin , Pang Tao , Teng Qian , Li Chenhao , Jiang Naizhong , Zheng Song , Zhang Ruidan , Zheng Yuanhui , Chen Daqin , Yuan Fanglong
Published: May 2023

Deep‐red light‐emitting diodes (DR‐LEDs, >660 nm) with high color‐purity and narrow‐bandwidth emission are promising for full‐color displays and solid‐state lighting applications. Currently, the DR‐LEDs are mainly based on conventional emitters such as organic materials and heavy‐metal based quantum dots (QDs) and perovskites. However, the organic materials always suffer from the complicated synthesis, inferior color purity with full‐width at half‐maximum (FWHM) more than 40 nm, and the QDs and perovskites still suffer from serious problems related to toxicity. Herein, this work reports the synthesis of efficient and high color‐purity deep‐red carbon dots (CDs) with a record narrow FWHM of 21 nm and a high quantum yield of more than 50% from readily available green plants. Moreover, an exciplex host is further established using a polymer and small molecular blend, which has been shown to be an efficient strategy for producing high color‐purity monochrome emission from deep‐red CDs via Förster energy transfer (FET). The deep‐red CD‐LEDs display high color‐purity with Commission Internationale de l'Eclairage (CIE) coordinates of (0.692, 0.307). To the best of the knowledge, this is the first report of high color‐purity CD‐LEDs in the deep‐red region, opening the door for the application of CDs in the development of high‐resolution light‐emitting display technologies.
Photoinduced Arene C−H Amination with Ammonia: A Practical and Regioselective Strategy for Primary Amines
Authors: Tan Xiaobin , Xiong Wenfang , Zhu Baiyao , Liu Hongjian , Wu Wanqing , Jiang Huanfeng
Published: May 2023

Introducing the primary amino group into aromatic ring is one of the most important study issues in organic chemistry, particularly for the pharmaceuticals and agrochemicals chemistry. Herein, we describe a photoinduced direct C−H amination of arenes with ammonia via the site‐selective C−H thianthrenation that forms a new C−N bond with excellent regioselectivity. The reaction is carried out under mild conditions, and with a wide range of functional group tolerance, such as sensitive −Cl, −Br, and −OH groups which are poorly tolerated in conventional approaches. Moreover, the synthetic utility of our amination protocol has been confirmed through late‐stage modification and gram‐scale synthesis of complex drug‐like molecules.
Aggregation‐induced emission artificial enzyme (AIEzyme) with DNase‐like activity: Imaging and matrix cleavage for combating bacterial biofilm
Authors: Han Lei , Zhang Yucui , Huang Baojian , Bian Xuhui , Tang Ben Zhong
Published: May 2023

DNase‐catalyzed hydrolysis of extracellular DNA (eDNA) has been widely employed to eradicate intractable biofilms. Although aggregation‐induced emission (AIE) has become the ideal tool for killing planktonic bacteria, AIE luminogens (AIEgens) often lack DNase‐mimetic activity, so as to suffer from poor anti‐biofilm capacity. Here, an “AIEzyme”, a kind of AIE nanomaterial with enzyme‐like activity, is designed and synthesized, where the AIEgens are used as the ligands of Zr‐based coordination polymer nanoparticles. Not only does AIEzyme have enduring DNase‐mimetic activity with low activation energy, but also structural rigidity‐stabilized fluorescence. Due to the long‐acting hydrolysis for eDNA in biofilm, AIEzyme can efficiently disorganize the established biofilms with good penetrability and realize the healing of superbug‐infected wounds under only one dose of AIEzyme. This work provides a strategy to endow ordinary AIEgens with DNase‐like and anti‐biofilm activities. Moreover, AIEzymes can be observed by virtue of their own AIE character, facilitating the study on self‐positioning and residual amount of AIEzymes in wounds. The concept “AIEzyme” would hopefully stimulate the tremendous expansion for the tool kits and the application of AIEgens and artificial enzymes.
Is more prolonged sun exposure associated with healthier life habits and obesity indicators in Portuguese children?
Authors: dos Santos Elizabete A. , Cavalheiro Lígia Araújo Martini , Rodrigues Daniela , Machado‐Rodrigues Aristides , Silva Maria‐Raquel , Nogueira Helena , Padez Cristina
Published: May 2023

Objectives

Sun exposure seems to have an indirect effect on the development of obesity through vitamin D synthesis in the skin, the primary source of this vitamin. The present study aimed to investigate associations among sun exposure time, obesity indicators, and lifestyle habits in children.

Methods

A total of 4755 children (3–10 years; 49.86% boys) from the north, center and south‐central Portugal were included in the present study. During 2016/2017 children's sun exposure time, screen time, time devoted to the practice of physical activity and active play were collected through standard questionnaires answered by parents. Statistical analyses were conducted to investigate differences among sun exposure time according to the sex, age, obesity indicators and lifestyle habits.

Results

Linear regression analysis showed that sun exposure time presented a negative association with Body Mass Index (β = −0.09, 95% CI: −0.18; −0.003; p = .042), body fat % (β = −0.31, 95%; CI: −0.54; −0.07; p = .010), computer time (β = −0.08, 95% CI: −0.12; − 0.05; p < .0001) and a positive association with active play time (β = 0.22, 95% CI: 0.17; 0.27; p < .0001) and total time of physical activity practice (β = 10.01, 95% CI: 4.52; 15.20; p < .0001).

Conclusions

The results reinforce the need for future guidance on the ideal sun exposure time, especially in children, who are at risk for vitamin D deficiency. Standardization of criteria for classifying optimal sun exposure time in this age group, considering the parameters that affect vitamin D status, such as age and seasonality, should be considered when planning future guidelines.
A Lewis Base–Silyl Lewis Acid Cooperative Catalyst for the Iodochlorination of Tetrasubstituted Alkenes
Authors: Nagami Keigo , Ohmura Shuhei , Ishihara Kazuaki
Published: May 2023

We have developed a Lewis base‐silyl Lewis acid cooperative catalyst for the iodochlorination of alkenes. In the presence of 10–20 mol% of Ph3P=O, the iodochlorination of tetrasubstituted alkenes with N‐iodosuccinimide and tert‐butyldimethylchlorosilane proceeded efficiently at −40 °C to provide the corresponding 1,2‐iodochloroalkanes that cannot be easily obtained via conventional methods. A series of 31P NMR experiments suggests that the cooperative activation of the reaction components facilitates the generation of the active iodochlorinating species.
Ordered and Fast Ion Transport of Quasi‐solid‐state Electrolyte with Regulated Coordination Strength for Lithium Metal Batteries
Authors: Zhang Qi , Liu Zewen , Song Xiaosheng , Bian Tengfei , Guo Zhijie , Wu Donghai , Wei Jun , Wu Sixin , Zhao Yong
Published: May 2023

Polymer based quasi‐solid‐state electrolyte (QSE) has attracted great attention due to its assurance for high safety of rechargeable batteries including lithium metal batteries (LMB). However, it faces the issue of low ionic conductivity of electrolyte and solid‐electrolyte‐interface (SEI) layer between QSE and lithium anode. Herein, we firstly demonstrate that the ordered and fast transport of lithium ion (Li+) can be realized in QSE. Due to the higher coordination strength of Li+ on tertiary amine (−NR3) group of polymer network than that on carbonyl (−C=O) group of ester solvent, Li+ can diffuse orderly and quickly on −NR3 of polymer, significantly increasing the ionic conductivity of QSE to 3.69 mS cm−1. Moreover, −NR3 of polymer can induce in situ and uniform generation of Li3N and LiNxOy in SEI. As a result, the Li||NCM811 batteries (50 μm Li foil) with this QSE show an excellent stability of 220 cycles at ≈1.5 mA cm−2, 5 times to those with conventional QSE. LMBs with LiFePO4 can stably run for ≈8300 h. This work demonstrates an attractive concept for improving ionic conductivity of QSE, and also provides an important step for developing advanced LMB with high cycle stability and safety.
Intermediate Formation of Macrocycles for Efficient Crystallization of 2D Covalent Organic Frameworks with Enhanced Photocatalytic Hydrogen Evolution
Authors: Wang Kuixing , Zhong Yuelin , Dong Wenbo , Xiao Yueyuan , Ren Shijie , Li Longyu
Published: May 2023

Covalent organic frameworks (COFs) have gained significant attention as key photocatalysts for efficient solar light conversion into hydrogen production. Unfortunately, the harsh synthetic conditions and intricate growth process required to obtain highly crystalline COFs greatly hinder their practical application. Herein, we report a simple strategy for the efficient crystallization of 2D COFs based on the intermediate formation of hexagonal macrocycles. Mechanistic investigation suggests that the use of 2,4,6‐triformyl resorcinol (TFR) as the asymmetrical aldehyde build block allows the equilibration between irreversible enol‐to‐keto tautomerization and dynamic imine bonds to produce the hexagonal β‐ketoenamine‐linked macrocycles, the formation of which could provide COFs with high crystallinity in half hour. We show that COF‐935 with 3 wt % Pt as cocatalyst exhibit a high hydrogen evolution rate of 67.55 mmol g−1 h−1 for water splitting when exposed to visible light. More importantly, COF‐935 exhibits an average hydrogen evolution rate of 19.80 mmol g−1 h−1 even at a low loading of only 0.1 wt % Pt, which is a significant breakthrough in this field. This strategy would provide valuable insights into the design of highly crystalline COFs as efficient organic semiconductor photocatalysts.
Fast and Tunable Phosphorescence from Organic Ionic Crystals
Authors: Partanen Iida , Al‐Saedy Omar , Eskelinen Toni , Karttunen Antti J. , Saarinen Jarkko J. , Mrózek Ondrej , Steffen Andreas , Belyaev Andrey , Chou Pi‐Tai , Koshevoy Igor O.
Published: May 2023

Crystalline diphosphonium iodides [MeR2P‐spacer‐R2Me]I with phenylene (1, 2), naphthalene (3, 4), biphenyl (5) and anthracene (6) as aromatic spacers, are photoemissive under ambient conditions. The emission colors (λem values from 550 to 880 nm) and intensities (Φem reaching 0.75) are defined by the composition and substitution geometry of the central conjugated chromophore motif, and the anion‐π interactions. Time‐resolved and variable‐temperature luminescence studies suggest phosphorescence for all the titled compounds, which demonstrate observed lifetimes of 0.46–92.23 μs at 297 K. Radiative rate constants kr as high as 2.8×105 s−1 deduced for salts 1–3 were assigned to strong spin‐orbit coupling enhanced by an external heavy atom effect arising from the anion‐π charge‐transfer character of the triplet excited state. These rates of anomalously fast metal‐free phosphorescence are comparable to those of transition metal complexes and organic luminophores that utilize triplet excitons via a thermally activated delayed fluorescence mechanism, making such ionic luminophores a new paradigm for the design of photofunctional and responsive molecular materials.
Going Beyond Silver in Ethylene Epoxidation with First‐Principles Catalyst Screening
Authors: Huš Matej , Grilc Miha , Teržan Janvit , Gyergyek Sašo , Likozar Blaž , Hellman Anders
Published: May 2023

Ethylene epoxidation is industrially and commercially one of the most important selective oxidations. Silver catalysts have been state‐of‐the‐art for decades, their efficiency steadily improving with empirical discoveries of dopants and co‐catalysts. Herein, we perform a computational screening of the metals in the periodic table, identify prospective superior catalysts and experimentally demonstrate that Ag/CuPb, Ag/CuCd and Ag/CuTl outperform the pure‐Ag catalysts, while they still confer an easily scalable synthesis protocol. Furthermore, we show that to harness the potential of computationally‐led discovery of catalysts fully, it is essential to include the relevant in situ conditions e.g., surface oxidation, parasitic side reactions and ethylene epoxide decomposition, as neglecting such effects leads to erroneous predictions. We combine ab initio calculations, scaling relations, and rigorous reactor microkinetic modelling, which goes beyond conventional simplified steady‐state or rate‐determining modelling on immutable catalyst surfaces. The modelling insights have enabled us to both synthesise novel catalysts and theoretically understand experimental findings, thus, bridging the gap between first‐principles simulations and industrial applications. We show that the computational catalyst design can be easily extended to include larger reaction networks and other effects, such as surface oxidations. The feasibility was confirmed by experimental agreement.
Chromium‐Doped Nickel Oxide and Nickel Nitride Mediate Selective Electrocatalytic Oxidation of Sterol Intermediates Coupled with H2 Evolution
Authors: Li Suiqin , Wang Shibin , He Jiahui , Li Kai , Xu Yinjie , Wang Mengxin , Zhao Shuying , Wang Yuhang , Li Xiaonian , Zhong Xing , Wang Jianguo
Published: May 2023

Replacing the oxygen evolution reaction (OER) with the thermodynamically favorable electrooxidation of organics is considered a promising approach for the simultaneous production of hydrogen (H2) and high‐value chemicals. However, exploring and optimizing efficient electrocatalysts remains a challenge for large‐scale production of value‐added steroid carbonyl and H2. Herein, Cr‐NiO/GF and Cr‐Ni3N/GF (GF: graphite felt) electrocatalysts were designed as anode and cathode for the production of steroid carbonyls and H2, respectively. The cooperative Cr‐NiO and ACT (4‐acetamido‐2,2,6,6‐tetramethyl‐1‐piperidine‐N‐oxyl) electrocatalyst can be extended to the electrooxidation of a series of steroid alcohols to the corresponding aldehydes. Additionally, Cr‐Ni3N displays superior electrocatalytic activity for hydrogen evolution reaction (HER), with a low overpotential of 35 mV to deliver 10 mA cm−2. Furthermore, the system coupled with anodic electrooxidation of sterol and cathodic HER exhibited excellent performance with high space‐time yield of 48.85 kg m−3 h−1 for steroid carbonyl and 1.82 L h−1 for H2 generation in a two‐layer stacked flow cell. Density Functional Theory (DFT) calculations indicated that Cr doping effectively stabilizes ACTH on the NiO surface, and ACTH molecule could be captured via the ketonic oxygen interaction with Cr, resulting in excellent electrocatalytic activity. This work develops a novel approach to the rational design of efficient electrocatalysts for the simultaneous production of H2 and large‐scale value‐added pharmaceutical carbonyl intermediates.
Fine‐Tuning Substrate–Catalyst Halogen–Halogen Interactions for Boosting Enantioselectivity in Halogen‐Bonding Catalysis
Authors: Keuper Alica C. , Fengler Kevin , Ostler Florian , Danelzik Tobias , Piekarski Dariusz G. , García Mancheño Olga
Published: May 2023

A new approach towards highly enantioselective halogen‐bonding catalysis has been developed. To circumvent the intrinsic issues of the nature of the halogen‐bond (XB) and the resultant unresolved limitations in asymmetric catalysis, fine‐tuned halogen–halogen interactions between the substrate and XB‐donor were designed to preorganize the substrate in the catalyst's cavity and boost enantiocontrol. The present strategy exploits both the electron cloud (Lewis base site) and the sigma (σ)‐hole site of the halogen substituent of the substrates to form a tight catalyst–substrate–counteranion chiral complex, thus enabling a controlled induction of high levels of chirality transfer. Remarkable enantioselectivities of up to 95 : 5 e.r. (90 % ee) have been achieved in a model dearomatization reaction of halogen‐substituted (iso)quinolines with tetrakis‐iodotriazole multidentate anion‐binding catalysts.
Enhancement of electrospun UHMWPE fiber performance through post‐processing treatment
Authors: Nayak Prajesh , Ghosh Anup K. , Bhatnagar Naresh
Published: May 2023

In this study, the mechanical performance of electrospun ultra‐high molecular weight polyethylene (UHMWPE) fiber was successfully improved by post‐processing treatment. It is performed by stretching the electrospun UHMWPE mat under constant load at temperatures ranging from 90 to 150°C. The temperature is varied in order to achieve the highest possible draw ratio. The prepared fibers were characterized for their morphological and thermal properties. Moreover, the induced fiber morphology and their performance due to the effect of high‐temperature stretching were evaluated using different characterization techniques such as scanning electron microscopy, wide‐angle X‐ray diffraction, and tensile testing analysis. In addition, the characteristics of prepared yarns were also compared with a commercial grade of Spectra® fibers. This analysis shows that the post‐processing of the mat resulted in the production of axially elongated microfibrillar yarn. Maximum tensile strength of 11.14 ± 3.65 GPa was attained at a stretching temperature of 130°C. However, further raising the temperature causes a decline in performance, demonstrating that the stretching temperature dramatically influences the properties of the fiber.
Clinical characteristics and outcomes of patients with mental illnesses who attempted suicide by drug overdose: A retrospective analysis of 109 cases
Authors: Chen Naiyun , Li Shaoli , Huang Shu , Lai Jianbo , Lv Duo
Published: May 2023

Objective

Individuals with mental illnesses are exposed to an increased risk of suicide. In this study, we aimed to investigate the clinical characteristics and outcome of psychiatric patients who attempted suicide by drug overdose and required emergency care.

Methods

A retrospective study was carried out in the Department of Emergency, the First Affiliated Hospital, Zhejiang University School of Medicine. Electronic medical records of psychiatric patients who were hospitalized due to suicide attempts from March 2019 to February 2022, with a discharge diagnosis of drug overdose were reviewed. Suicide‐related data of patients were collected, including suicide month, time from suicide to admission, type of drugs, the number of tablets taken, as well as demographic and clinical profiles (e.g., gender, age, marital status, profession, physical comorbidities, and diagnosis of mental illness).

Results

In the results, half of the patients were young people, female patients accounted for a higher proportion (72.5%), and the incidence of suicide was higher in winter than other seasons. Among the 109 psychiatric patients, 60 patients (55.0%) had a history of major depressive disorder, and 86 patients (78.9%) committed suicide with various psychotropic drugs, among which anxiolytics were the most commonly used drugs. Thirty‐seven patients (33.9%) experienced severe physical complications caused by drug overdose, with lung infections being the most common. The clinical outcome of most patients was favorable following emergent treatment, while 2 patients (1.8%) older than 80 failed to survive.

Conclusion

A better understanding of psychiatric patients referred to emergency care due to suicide by drug overdose helps to improve the clinical management and prognosis of patients.
Did court dismiss student's Title IX claim?
Authors: Lyerly Eric
Published: May 2023

A cheerleader at Georgia College and State University went on a spring break trip with a few classmates. On this trip, a male student sexually assaulted the cheerleader while she was intoxicated. The cheerleader didn’t remember the assault but woke up the next morning with her shirt off and soreness in her vaginal area.
Controlling Swing Rates in Macrocyclic Molecular Mortise Hinges
Authors: Menke Alexander J. , Mellberg Joseph M. , Pan Hongjun , Reibenspies Joseph H. , Janesko Benjamin G. , Simanek Eric E.
Published: May 2023

Hinge motion is observed in macrocyclic, mortise‐type molecular hinges using variable temperature NMR spectroscopy. The data is consistent with dynamic hinging from a folded‐to‐extended‐to‐folded enantiomeric state. Crystallographic and solution structures of the folded states are reported. Chemical shift predictions derived from crystallographic data corroborate fully revolute hinge motion. The rate of hinging is affected by steric congestion at the hinge axis. A macrocycle containing glycine, 1, hinges faster than one comprising aminoisobutyric acid, 2. The free energies of activation, ΔG≠, for 1 and 2 were determined to be 13.3±0.3 kcal/mol and 16.3±0.3 kcal/mol, respectively. This barrier is largely independent of solvent across those surveyed (CD3OD, CD3CN, DMSO‐d6, pyridine‐d5, D2O). Experiment and computation predict energy barriers that are consistent with disruption of an intramolecular network of hydrogen bonds. DFT calculations reveal a pathway for hinge motion.
Diverse Reactions of α‐Diimine‐Ligated MgI−MgI‐Bonded Compound with Carbodiimides
Authors: Yang Li , Qu Yao , Wang Juju , Xu Wenhua , Zhao Yanxia , Yang Xiao‐Juan
Published: May 2023

The α‐diimine‐ligated dimagnesium(I) compound [K(thf)3]2[LMg−MgL] (1, L=[(2,6‐iPr2C6H3)NC(Me)]22−) displays diverse reactivities toward carbodiimides (RN=C=NR) with different R substituents. In the reaction of 1 with Me3SiNCNSiMe3, one of the easily leaving trimethylsilyl groups is lost to yield the Me3SiNCN− moiety that either bridges two MgII centers (2) or terminally coordinated (3). In contrast, with the similarly bulky tBuNCNtBu, the carbodiimide inserts into Mg−Mg bond with accompanying C−H activation of a ligand or solvent (products 4 and 5). In the case of dicyclohexyl or diisopropyl carbodiimide, reductive C−C coupling of two RNCNR molecules occurs to form the [C2(NR)4]2− diamido moiety, which bridges two Mg centers, giving complexes [{K(dme)2}2LMg(μ‐{C2(NR)4})MgL] (6, R=Cy; 7, R=iPr) and [L⋅−Mg(μ‐{C2(NR)4})MgL⋅−] (8). Most interestingly, upon treating 1 with Me3SiC≡CSiMe3, the acetylide complex [K(dme)][LMg(C≡CSiMe3)(dme)] (9) was prepared, which undergoes a rare “double insertion” with CyNCNCy to afford [K(solv)][K(dme)2LMg(NCy)2C−C≡C−C(NCy)2MgL] (10) containing an acetylenediide‐coupled bis(amidinate) ligand that bridges two Mg atoms.
Supramolecular Chirogenesis in a Sterically Hindered Porphyrin: A Critical Theoretical Analysis**
Authors: Osadchuk Irina , Luts Hanna‐Eliisa , Norvaiša Karolis , Borovkov Victor , Senge Mathias O.
Published: May 2023

The determination of molecular stereochemistry and absolute configuration is an important part of modern chemistry, pharmacology, and biology. Electronic circular dichroism (ECD) spectroscopy is a widely used tool for chirality assignment, especially with porphyrin macrocycles employed as reporter chromophores. However, the mechanisms of induced ECD in porphyrin complexes are yet to be comprehensively rationalized. In this work, the ECD spectra of a sterically hindered hexa‐cationic porphyrin with two camphorsulfonic acids in dichloromethane and chloroform were experimentally measured and computationally analyzed. The influence of geometric factors such as the position of chiral guest molecules, distortion of the porphyrin macrocycle, and orientation of aromatic and non‐aromatic peripheral substituents on the ECD spectra was theoretically studied. Various potential pitfalls, such as a lack of significant conformations and accidental agreement of experimental and simulated spectra, are considered and discussed.