bluuebunny/crossref_metadata_2025 huggingface dataset:
Mathematical Modelling of Listeriosis Epidemics in Animal and Human Population with Optimal Control.
Authors: Osman Shaibu , Makinde Oluwole Daniel , Theuri David Mwangi
Published: November 2020

Listeriosis is a serious disease caused by the germ Listeria monocytogenes. People usually become ill with listeriosis after eating contaminated food including meat. The disease primarily affects pregnant women, newborns, older adults, and people with weakened immune systems. In this paper, we propose and scrutinize a model problem describing the transmission dynamics of Listeriosis epidemic in animal and human population using the stability theory of differential equations. The model is qualitatively analysed for the basic reproduction number as well as possibility of forward and backward bifurcation with respect to the stability of disease free and endemic equilibria. The impact of the model parameters on the disease was evaluated via sensitivity analysis. An extension of the model to include time dependent control variables such as treatment, vaccination and education of susceptible (human) is carried out. Using Pontryagin’s Maximum Principle, we obtain the optimal control strategies needed for combating Listeriosis disease. Numerical simulation of the model is performed and pertinent results are displayed graphically and discussed quantitatively.
On Three Dimensional Cosymplectic Manifolds Admitting Almost Ricci Solitons
Authors: De Uday Chand , Dey Chiranjib
Published: November 2020

In the present paper we study three dimensional cosymplectic manifolds admitting almost Ricci solitons. Among others we prove that in a three dimensional compact orientable cosymplectic manifold M^3 withoutboundary an almost Ricci soliton reduces to Ricci soliton under certain restriction on the potential function lambda. As a consequence we obtain several corollaries. Moreover we study gradient almost Ricci solitons.
Generalized Wright Function and Its Properties Using Extended Beta Function
Authors: Khan Nabiullah , Usma Talha , Aman Mohd
Published: November 2020

Solving a linear partial diﬀerential equation witness a noteworthy role of Wright function. Due to its usefulness and various applications, a variety of its extentions (and generalizations) have been investigated and presented. The purpose and design of the paper is intended to study and come up with a new extention of the genralized Wright function by using generalized beta function and obtain some integral representation of the freshly deﬁned function. Also we present the Mellin transform of this function in the form of Fox Wright function. Furthermore, we obtain the recurrence relation, derivative formula for the said function and also by using an extended Riemann-Liouville fractional derivative, we present a fractional derivative formula for the extended Wright function.
On $L_1$-biharmonic timelike hypersurfaces in pseudo-Euclidean space $E_1^4$
Authors: Pashaie Firooz
Published: November 2020

A well-known conjecture of Bang Yen-Chen says that the only biharmonic Euclidean submanifolds are minimal ones. In this paper, we consider an extended condition (namely, $L_1$-biharmonicity) on non-degenerate timelike hypersurfaces of the pseudo-Euclidean space $E_1^4$. A Lorentzian hypersurface $x: M_1^3\rightarrow\E_1^4$ is called $L_1$-biharmonic if it satisfies the condition $L_1^2x=0$, where $L_1$ is the linearized operator associated to the first variation of 2-th mean curvature vector field on $M_1^3$. According to the multiplicities of principal curvatures, the $L_1$-extension of Chen's conjecture is affirmed for Lorentzian hypersurfaces with constant ordinary mean curvature in pseudo-Euclidean space $E_1^4$. Additionally, we show that there is no proper $L_1$-biharmonic $L_1$-finite type connected orientable Lorentzian hypersurface in $E_1^4$.
Analytical Solution of the Effect of Awareness Program by Media on the Spread of an Infectious Disease by Homotopy Perturbation Method
Authors: Ganeshan Devipriya , TS Kavitha
Published: November 2020

Wireless sensor networks (WSNs) have received wide-ranging considerationdue to their boundless potential in civil and military applications. Maliciousself-replicating codes, known as malware, pose substantial threat to the wireless computing infrastructure. The attacks of the malicious signals in the WSNare epidemic in nature. Biological epidemic models will be helpful to understand the dynamical behavior of the malware attack in WSN. In this paper,A (SEIRS-V) Susceptible - Exposed - Infected - Recovered - Susceptible witha Vaccination compartment, describing the undercurrents of worm propagation with respect to time in wireless sensor network (WSN) is considered. Theanalytical solution of WSN is obtained by Homotopy Perturbation Method.Numerical results are obtained and are graphically interpreted using Maple.The results assures that the dynamics of worm propagation in WSN by theproposed model exhibits rich dynamics.
Model Based Markerless 3D Tracking applied to Augmented Reality
Authors: Lima Joao Paulo Silva do Monte , Simoes Francisco Paulo Magalhaes , Figueiredo Lucas Silva , Kelner Judith
Published: November 2020

This paper presents the implementation of 3D tracking techniques based on natural features for augmented reality. The contemplated techniques are from the model based category, comprising recursive and non-recursive methods, as well as edge and texture based techniques. An evaluation of the implemented 3D trackers was performed regarding performance and accuracy under different scenarios.
The Pattern of Substance Abuse in the Psychiatry Department of a Tertiary Care of Srinagar Hospital, Jammu and Kashmir, India
Authors: Maqbool Mudasir , Fekadu Ginenus , Dugassa Dinka , Bekele Firomsa , Turi Ebisa , Simegnew Dawit
Published: November 2020

Background: Substance-use related disorders (SUD) are a major public health concern worldwide, especially in developing nations. Currently, it is characterized by high rates of mortality and morbidity. Moreover, through increased utilization of healthcare services, it causes both direct and indirect significant medical expenditures. Objectives: The current study aimed to evaluate the pattern of Substance abuse in the department of psychiatry of a Tertiary Care Hospital, Srinagar, Jammu, and Kashmir, India. Methods: This is a descriptive, cross-sectional, and open study conducted in the psychiatry inpatient department of a tertiary care hospital, Srinagar, Jammu, and Kashmir, India, for 7 months (January to May 2020). Results: Over a period of seven months, a total of 135 participants were recruited (105 males and 30 females). Most of them were Muslim (96.29%), married (68.14%), and living as a nuclear family (75.55%). Tobacco (Nicotine) was the most commonly used substance by those admitted to the psychiatry ward (62.96%), followed by cannabis (11.11%) and opioids (11.11%). The most comorbidity associated with substance abuse was psychiatric disorders (36.84%), followed by neurological disorders (21.05%), and gastrointestinal disorders (7.89%). Among those with psychiatric disorders, 14 (10.37%) had mood (bipolar) disorders. A total of 1129 medicines were prescribed for 135 patients. The mean ± standard error of the mean (SEM) of the prescribed medicines was 8.48 ± 3.3. The average number of drugs per encounter was 8.48%. Conclusions: In this study, cigarette smoking (nicotine) was the most commonly abused substance. It can be justified by the fact that Kashmir is a conflict zone, and many people suffer from the post-traumatic stress disorder. Hence, a collaborated effort is necessary to improve the prescribing pattern and to enhance the rational use of medications for better treatment outcomes.
Etiologic Features of Respiratory Tract Infections Seen in Children with Primary Nephrotic Syndrome: A Cross-Sectional Retrospective Study
Authors: Xiong Xi-Lin , Yu Chun-Yu , Wang Mo
Published: November 2020

Background: Respiratory tract infections (RTI) are common complications of primary nephrotic syndrome (PNS) and influence the outcomes of PNS. The pathogenic spectrum and their susceptibility to antibiotics in RTI change over time, which increases the difficulty of treatment. Objectives: To improve the curative effect of RTI in children with PNS, we conducted a cross-sectional retrospective study in 2740 children with PNS to study the etiologic features of RTI seen in PNS children. Methods: Totally 2740 children with PNS hospitalized during 2010 - 2014 were enrolled in this study. Respiratory specimens were collected for the detection of pathogens using current laboratory diagnostic tests. The cases were divided into community-acquired respiratory tract infection (CARTI) and hospital-acquired respiratory tract infection (HARTI) as well as upper respiratory tract infection (URTI) and lower respiratory tract infection (LRTI) to analyse the etiologic features. Results: Among 2162 cases of PNS with RTI, 2095 cases were CARTI (96.90%), and 67 cases were HARTI (3.10%). The most common pathogen in CARTI was Coxsackie virus, followed by Mycoplasma pneumoniae, respiratory syncytial virus, and Streptococcus pneumoniae, while the most common pathogen in HARTI also was Coxsackie virus, followed by respiratory syncytial virus, Mycoplasma pneumoniae, and Streptococcus pneumoniae. There was significant difference in the positive rates of Pseudomonas aeruginosa and Candida albicans between CARTI and HARTI. The distribution of pathogens differed between URTI and LRTI in children with PNS. The positive rates of most pathogens were lower in URTI than LRTI. Generally, the isolation rate of extended-spectrum β-lactamase (ESBL) producing bacteria was relatively low. In CARTI, the sensitive rates of Gram-negative ESBL producing bacteria to carbapenems, amoxicillin/clavulanate potassium, ampicillin/sulbactam, and ciprofloxacin were more than 90.00%, while Gram-positive ESBL producing bacteria were sensitive to glycopeptides, linezolid, macrodantin, mupirocin-HL, and amoxicillin/clavulanate potassium. Conclusions: In children with PNS, the etiology differed between CARTI and HARTI as well as URTI and LRTI. Therefore, it is necessary to differentiate these features for empirical therapy. If the pathogen is bacterial, amoxicillin/clavulanate potassium could be the first choice before sputum culture results are available.
Predictive Factors for the Sense of Community Belonging Among Older Adults in Lower Northern Thailand
Authors: Kitreerawutiwong Nithra , Keeratisiroj Orawan , Mekrungrongwong Sunsanee
Published: November 2020

Background: Sense of belonging (SOB) is fundamental to our health, social interactions, and psychological functioning. However, older adults usually feel a loss in social belonging. Objectives: This study aimed to investigate factors influencing SOB to the community among older adults in a rural community. Methods: 1,098 older adults were selected using multistage sampling. Data were collected using a questionnaire, including demographic characteristics, social support, neighborhood environment, and SOB aspects. To assess the reliability, a correlation coefficient of 0.72 was calculated for social support, neighborhood environment (0.82), and SOB aspects (0.88). Data were analyzed using descriptive statistics and multiple regression analysis. Results: The mean score of SOB was 50.85 ± 7.44, which is acceptable. The results showed that social support, neighborhood environment, duration of living in the community, and education higher than the fourth grade were positive predictors for the SOB. Conclusions: This study indicated that improving the neighborhood environment and providing social support for rural older adults can enhance their SOB to the community. Also, the duration of living in the community and education have significant impacts on the SOB to the local community.
The Effect of Aerobic Exercise on the Quality of Life of Male Patients Who Suffer from Chronic Schizophrenia: Double-Blind, Randomized Control Trial
Authors: Namdar Areshtanab Hossein , Ebrahimi Hossein , Abdi Mohammad , Mohammadian Robab , Mohammadpoor Asl Asghar , Piri Shahram
Published: November 2020

Background: Chronic schizophrenia is a long-term and severe mental disorder. Aerobic exercises can reduce the symptoms of mental disorders, particularly schizophrenia, through improving the patient's quality of life (QoL). Objectives: The current study aimed to investigate the effect of aerobic exercise on the QoL of male schizophrenics hospitalized at the Razi Psychiatric Center in Tabriz from 2015 to 2016. Methods: In this randomized controlled trial, 68 patients who met the inclusion criteria were randomly allocated into groups of intervention (n = 34) and control (n = 34). The intervention group has benefited from the aerobic exercise 24 sessions for 8 weeks, 12 hours in total. The control group simultaneously enjoyed the fresh air. The Schizophrenic Quality of Life Scale (SQLS) was completed before and after intervention in both groups. The data were analyzed in SPSS20 using the t-test and chi-squared test. Results: The mean age of participants was 37.82 ± 7.14 years. No significant differences were found between the demographic characteristics of the two groups. This study showed that no significant difference was found in the quality of life in both groups before intervention (P ≤ 0.37), but there was a significant difference after the intervention (P = 0.001). Aerobic exercises reduce patient's mental disorders and promote their QoL (P < 0.05). Conclusions: Regular aerobic exercise can reduce the symptoms of male patients with schizophrenics, which in turn improves all dimensions of QoL
Profile of Steroid Hormones and sex Hormone-Binding Globulin of Elite Soldiers
Authors: Talarico Neto Thomaz , Hahns Júnior Higino Carlos , Minelli Maria Clara Santos , Magraner Paixão dos Santos José Mauricio , Corrêa Junior Marcos , Bella Yanesko Fernandes , Galante Fernanda , Gonella Cesar Baraldi , Ferreira Leandro , Martinelli Junior Carlos Eduardo , Tourinho Filho Hugo
Published: November 2020

Background: Military police training should characterize the necessary abilities to conduct their activities with excellence. Biochemical parameters have a significant role in the performance of individuals and, therefore, are of crucial importance when trying to improve the teamwork of police officers, particularly for special operations groups. Hence, the use of laboratory analysis in activities that cause great physiological stress is of paramount importance. Objectives: The present study aimed to evaluate the profile of steroid hormones and the sex hormone-binding-globulin of soldiers belonging to a special operations force. Methods: In this cross-sectional study, blood samples of 75 volunteers collected after 12 hours of fasting are analyzed. Data were analyzed using descriptive statistics (i.e., mean and standard deviation) and compared to the reference values for each biomarker, referencing each individual in their age group. Results: Most of the participants presented adequate concentrations for their respective ages in relation to the data analyzed. Even the inclusion of individuals from different age groups did not change the good results found in the group. Conclusions: The positive results found in such a heterogeneous group with respect to age group can be attributed to an extremely rigorous selection process and a training program that elevates them to the rank of elite soldiers of the military police.
Nutritional Status of Adolescent Girls in a Selected Secondary School of North-Eastern Part of Nigeria
Authors: Uba Danjuma Shehu , Islam Md. Rabiul , Haque Md. Imdadul , Chowdhury ABM Alauddin , Shariful Islam Sheikh Mohammed , Muhammad Faisal
Published: November 2020

Background: Adolescence is the most critical period of human life when transitioning occurs from childhood to adulthood. Malnutrition is one of the major global health problems faced by many developing countries across the globe. Objectives: This study aimed to investigate the nutritional status of adolescent girls in a selected secondary school in Nigeria. Methods: A cross-sectional study was conducted on 250 adolescent girls who were available during the study period. A nutrition expert, together with an epidemiologist, gathered anthropometric information and measured the height, weight, and body mass index (BMI) of the participants. The BMI was calculated, and the dietary habits of the participants were reported based on their usual food habits. It is part of our limitations and has been addressed under the limitations. Data were collected using a self-administered and semi-structured questionnaire. Results: The mean age of the adolescent girls was 15.9 ± 0.9 years, and more than half (53.2%) were students of senior secondary class 1 (SS-1). More than half (54.4%) of the adolescent girls had average body weight, 36.0% were underweight, and only 9.6% were overweight. The following socio-demographic factors were significantly associated with the BMI of adolescent girls: Age, class of the students, monthly family income, mothers’ educational status, and area of residence. Close to four-fifths (78.4%) of the participants consumed rice more than twice in a week; more than eight-tenths (88.8%) of the participants consumed milk/milk products at least ≤ 2 in a week. About 84.4% of the participants took red meat at least ≤ 2 in a week; more than half (55.2%) of the participants consumed vegetables and fruits more than twice a week. Most (84.8%) of the participants took lunch regularly, and 91.6% of the adolescent girls took breakfast regularly. Conclusions: The study revealed that nearly one-third of the adolescent girls were underweight, indicating a severe public health concern. Early nutritional screening and interventions are recommended to improve the nutritional status of the adolescent girl school in Nigeria.
Implementing the Flipped Approach in an English-Medium-Instruction Educational Psychology Course: Student Learning Outcome and Perception
Authors: Chou I-Chia
Published: November 2020

Academic courses taught in English are already difficult for many EFL students. This is especially the case if the class is conducted primarily through lectures. The aim of this study is to show that the flipped approach (FA) in an English-medium-instruction (EMI) course may be an alternative to the traditional teacher-lecture course for EFL undergraduates, if certain weaknesses in the approach are addressed. The students overall had positive perceptions of the FA, but perhaps more important and less frequently noted is that, by using the FA approach, EFL instructors can more clearly identify student-learning challenges. It is not clear, however, if the FA approach can subsequently address these challenges. Therefore, some appropriate pedagogical suggestions and shortcomings are given for those who plan to implement the FA in an EMI course.
Interview with Jean Kirshner, co-founder of Belize Education Project
Authors: Nimehchisalem Vahid
Published: November 2020

Jean Kirshner holds a Ph.D. in Education and Human Resource Development from Colorado State University and specializes in literacy and teacher education. I came to know Jean and her school adoption project in the process of publishing her article in our previous issue. She graciously accepted my invitation for this interview that we carried out through emails in July, 2020. In this interview, you will be reading about Jean and the impact she and her colleagues have created in the lives of school children. You will learn more about Jean as you read through, but here is a brief introduction. Jean started her career as the Early Childhood Director at Saint Ignatius Grammar School, Chicago in 1988. After two years she joined the Child Opportunity Program in Denver as a Head Start Supervising Teacher. In 1994, she became a kindergarten teacher and has been a First Grade Teacher since 2006 in Douglas County School District, Parker, Colorado. She co-founded the Belize Education Program in 2007 which is the main topic of this interview. The world needs more inspiring educators like Jean who contribute selflessly especially to the underprivileged communities that need more love and attention.
Interpersonal Relations and Achievement among University Upgrading (Grade V) Teacher Students
Authors: Waiswa Helen C. A. , Baguma Peter K. , Oonyu Joseph
Published: November 2020

Interpersonal relations refer to an intelligence and competence that enable the establishment and maintenance of mutually satisfying relationships with a variety of people across diverse situations. Academic achievement refers to satisfactory learner performance as shown by grades attained in course-work, tests, continuous assessment and end-of-semester examinations. The study interrogated the relationship between interpersonal relations (IR) and academic achievement (AA) among university upgrading (Grade V) teacher students in Ugandan universities. Using a quantitative sample of 473 and a qualitative sample of 75 upgrading Grade V teacher-students from Makerere University and Uganda Christian University (UCU), a cross-sectional survey and interview were carried out. The results showed that IR was positively and significantly related to subjective AA (r = .23, p < .001). However, it was not significantly related to objective AA – CGPA (r = .04, p > .05) thus, supporting the hypothesis: There is a positive relationship between IR and AA among university upgrading teacher-students. Qualitative findings showed that team spirit, group work and collegial relations were important aspects of IR. In conclusion, the study stressed collaborative approaches to IR as useful in the 21st century. As a contribution to policy and practice, the study recommends that: for better AA, teacher-students need to have a holistic curriculum to train on IR. Knowledge of negative and positive perceptions of IR are critical for the furtherance of both individual and collaborative functions in teaching, learning, training, and research.
The Effect of Psycho-Education Program Developed for Sexual Abuse on Counseling Teachers’ Reporting Sexual Abuse and Information and Risk Recognition Attitudes
Authors: Peker Adem , Cengiz Serkan , Çelik Aynur Karabacak
Published: November 2020

This study aimed to analyze the effect of the psycho-education program for sexual abuse on counseling teachers’ attitudes towards reporting sexual abuse and their knowledge and risk recognition levels. The research was by using the embedded design, one of the mixed method approaches. In the quantitative dimension of the studyquasiexperimental designwith pretest-posttest groups was performed, while in the qualitative dimension, the opinions of counselors were included. The study group of the research consisted of eight counselors in the experimental group and eight counselors in the control group, working in schools affiliated to the Ministry of National Education. A two-Factor ANOVA model for mixed measurements was utilized to analyze the experimental study. Paired t-test for dependent samples was used to analyze the pretest and posttest scores of the participants. Content analysis was used in the analysis of qualitative data. The quantitative findings of the study showed that the psycho-education program applied to the experimental group displayed a significant difference between the counseling teachers’ attitudes towards reporting sexual abuse and their knowledge and risk recognition levels compared to the control group. In the qualitative results of the study, it was observed that the counselors classified the characteristics of children at risk in terms of exposure to sexual abuse under the two themes of family factors and lack of social skills. In another result, it was discovered that children exposed to sexual abuse displayed behavioral and emotional symptoms. It is thought that the training that counselors will receive in schools on sexual abuse will be beneficial for the protection of the mental health of children and young people.
Xenophobia and Social Contact in University Students
Authors: Bozdağ Faruk
Published: November 2020

Due to increasing human mobility in today’s world, relations among groups are becoming more and more important. As people with different cultures come in close contact they begin to influence inter-group attitudes (Barni et al., 2020; Turner et al., 2020). Xenophobia, which can be described as negative attitudes towards migrants, is one of the most serious problems between groups caused by migration (Peterie & Neil, 2020). This study aims to investigate the relationship between social contact and xenophobic attitudes towards Syrian migrants among university students in Turkey. Data were collected from 142 university students through the Xenophobia Scale and the Revised Social Contact Scale. The data obtained were analyzed by multiple linear regression technique. The findings show that while the quality of social contact significantly predicts the xenophobic attitudes of university students, the quantity of social contact does not. The quality of social contact explains 43% of university students’ xenophobic attitudes. It is understood that the quality of social contact is highly effective in reducing xenophobic attitudes towards migrants.
Book Review: Effective School Librarianship: Successful Professional Practices from Librarians around the World
Authors: Naidoo Jamie Campbell
Published: November 2020

Spotlighting school librarians from across the globe, Effective School Librarianship: Successful Professional Practices from Librarians around the World, the two-volume set collected and edited by Patrick Lo, Heather Rogers, and Dickson K.W. Chiu, introduces readers to a wide range of librarians working in rural and urban schools. The various experiences of these diverse librarians are captured through a question and answer format which highlights the challenges and opportunities they encounter. Read collectively, these interviews showcase commonalities among the profiled librarians nationally and internationally, serving as windows into the experiences of other librarians and as mirrors of shared professional values. At the same time, these conversations provide a treasure trove of inspiring narratives sure to spark rich discussions about global issues facing contemporary school librarians.
Species of Space
Authors: Gepshtein Sergei
Published: November 2020

Architects spend their time creating walls, facades, floors and roofs – containers of space. But are they missing a key ingredient? Sergei Gepshtein, who directs Adaptive Sensory Technologies research at the Salk Institute in San Diego, and Spatial Perception and Concrete Experience research at the University of Southern California in Los Angeles, investigates the notion of a new architectural object. He shows how the space of experience is articulated by boundaries that arise from the human body. Although intangible and fluid, these boundaries are nevertheless real and systematic, which is why they readily yield to the methods of science.
Carrier Scattering Mechanisms: Identification via the Scaling Properties of the Boltzmann Transport Equation
Authors: Majdi Saman , Djurberg Viktor , Suntornwipat Nattakarn , Gabrysch Markus , Isberg Jan
Published: November 2020

A method based on the scaling properties of the Boltzmann transport equation is proposed to identify the dominant scattering mechanisms that affect charge transport in a semiconductor. This method uses drift velocity data of mobile charges at different lattice temperatures and applied electric fields and takes into account the effect of carrier heating. By performing time‐of‐flight measurements on single‐crystalline diamond, hole and electron drift velocities are measured under low‐injection conditions within the temperature range 10–300 K. Evaluation of the data using the proposed method identifies acoustic phonon scattering as the dominant scattering mechanism across the measured temperature range. The exception is electrons at 100–200 K where conduction‐band valley repopulation has a prominent effect. At temperatures below ≈80 K, where valley polarization is observed for electrons, transport dominated by acoustic phonon scattering is observed in different valleys separately. The scaling model is additionally tested on data from highly resistive gallium arsenide samples to demonstrate the versatility of the method. In this case, impurity scattering can be ruled out as the dominant scattering mechanism in the samples for the temperature range 80–120 K.
Machine learning‐based atom contribution method for the prediction of surface charge density profiles and solvent design
Authors: Liu Qilei , Zhang Lei , Tang Kun , Liu Linlin , Du Jian , Meng Qingwei , Gani Rafiqul
Published: November 2020

Solvents are widely used in chemical processes. The use of efficient model‐based solvent selection techniques is an option worth considering for rapid identification of candidates with better economic, environment and human health properties. In this paper, an optimization‐based MLAC‐CAMD framework is established for solvent design, where a novel machine learning‐based atom contribution method is developed to predict molecular surface charge density profiles (σ‐profiles). In this method, weighted atom‐centered symmetry functions are associated with atomic σ‐profiles using a high‐dimensional neural network model, successfully leading to a higher prediction accuracy in molecular σ‐profiles and better isomer identifications compared with group contribution methods. The new method is integrated with the computer‐aided molecular design technique by formulating and solving a mixed‐integer nonlinear programming model, where model complexities are managed with a decomposition‐based strategy. Finally, two case studies involving crystallization and reaction are presented to highlight the wide applicability and effectiveness of the MLAC‐CAMD framework.
Configurational Analysis by Residual Dipolar Couplings: Critical Assessment of “Structural Noise” from Thermal Vibrations
Authors: Reggelin Michael , Immel Stefan
Published: November 2020

The certainty of configurational assignments of natural products based on anisotropic NMR parameters, such as residual dipolar couplings (RDCs), must be amended by estimates on structural noise emerging from thermal vibrations. We show that vibrational analysis significantly affects the error margins with which RDCs can be back‐calculated from molecular models, and the implications of thermal motions on the differentiability of diastereomers are derived.
Mit N‐heterocyclischen Carbenen funktionalisierte Poly(3‐hexylthiophene) als robuste und leitfähige Liganden zur Stabilisierung von Goldnanopartikeln
Authors: Sun Ningwei , Zhang Shi‐Tong , Simon Frank , Steiner Anja Maria , Schubert Jonas , Du Yixuan , Qiao Zhi , Fery Andreas , Lissel Franziska
Published: November 2020

Seit kurzem werden N‐heterocyclische Carbene (NHCs) als Ankergruppen verwendet, um organische Liganden an kolloidales Gold (d. h. Goldnanopartikel, Au NPs) zu binden. Die Arbeiten beschränken sich jedoch bisher auf nicht‐konjugierte Liganden, konzentrieren sich also allein auf die Ausnutzung des Stabilitätsaspekts. Bei der Verwendung von NHCs zur Verknüpfung von Au NPs mit elektronisch aktiven organischen Komponenten (z. B. konjugierten Polymeren, KPs) könnten sowohl die Stabilität als auch die inhärente Leitfähigkeit der NHC‐Anker genutzt werden. Hier berichten wir über drei Arten von Br‐NHC‐Au‐X‐Komplexen (X=Cl, Br). Ausgehend von diesen kann über Kumada‐Polykondensation regioreguläres Poly(3‐hexylthiophen)‐NHC‐Au (P3HTs‐NHC‐Au) mit engen Molmassenverteilungen erhalten werden. Die entsprechenden NPs werden durch direkte Reduktion erhalten und zeigen eine ausgezeichnete thermische und Redoxstabilität. Die NHC‐Anker ermöglichen die Delokalisierung von Elektronen über die Gold/KP‐Grenzfläche, was zu einem verbesserten elektrochromen Reaktionsverhalten gegenüber dem von P3HT‐NHC‐Au führt.
Encoding Multilayer Complexity in Anti‐Counterfeiting Heterometallic MOF‐Based Optical Tags
Authors: Deneff Jacob I. , Butler Kimberly S. , Rohwer Lauren E. S. , Pearce Charles J. , Valdez Nichole R. , Rodriguez Mark A. , Luk Ting S. , Sava Gallis Dorina F.
Published: November 2020

Optical tags provide a way to quickly and unambiguously identify valuable assets. Current tag fluorophore options lack the tunability to allow combined methods of encoding in a single material. Herein we report a design strategy to encode multilayer complexity in a family of heterometallic rare‐earth metal–organic frameworks based on highly connected nonanuclear clusters. To impart both intricacy and security, a synergistic approach was implemented resulting in both overt (visible) and covert (near‐infrared, NIR) properties, with concomitant multi‐emissive spectra and tunable luminescence lifetimes. Tag authentication is validated with a variety of orthogonal detection methodologies. Importantly, the effect induced by subtle compositional changes on intermetallic energy transfer, and thus on the resulting photophysical properties, is demonstrated. This strategy can be widely implemented to create a large library of highly complex, difficult‐to‐counterfeit optical tags.
Poly(3‐hexylthiophene)s Functionalized with N‐Heterocyclic Carbenes as Robust and Conductive Ligands for the Stabilization of Gold Nanoparticles
Authors: Sun Ningwei , Zhang Shi‐Tong , Simon Frank , Steiner Anja Maria , Schubert Jonas , Du Yixuan , Qiao Zhi , Fery Andreas , Lissel Franziska
Published: November 2020

Recently, N‐heterocyclic carbenes (NHCs) are explored as anchor groups to bind organic ligands to colloidal gold (i.e. gold nanoparticles, Au NPs), yet these efforts are confined to non‐conjugated ligands so far—that is, focused solely on exploiting the stability aspect. Using NHCs to link Au NPs and electronically active organic components, for example, conjugated polymers (CPs), will allow capitalizing on both the stability as well as the inherent conductivity of the NHC anchors. Here, we report three types of Br‐NHC‐Au‐X (X=Cl, Br) complexes, which, when used as starting points for Kumada polymerizations, yield regioregular poly(3‐hexylthiophenes)‐NHC‐Au (P3HTs‐NHC‐Au) with narrow molecular weight distributions. The corresponding NPs are obtained via direct reduction and show excellent thermal as well as redox stability. The NHC anchors enable electron delocalization over the gold/CP interface, resulting in an improved electrochromic response behavior in comparison with P3HT‐NHC‐Au.
Ultrathin Single Crystalline MgO(111) Nanosheets**
Authors: Liu Pengxin , Abdala Paula Macarena , Goubert Guillaume , Willinger Marc‐Georg , Copéret Christophe
Published: November 2020

Synthesizing high‐quality two‐dimensional nanomaterials of nonlayered metal oxide is a challenge, especially when long‐range single‐crystallinity and clean high‐energy surfaces are required. Reported here is the synthesis of single‐crystalline MgO(111) nanosheets by a two‐step process involving the formation of ultrathin Mg(OH)2nanosheets as a precursor, and their selective topotactic conversion upon heating under dynamic vacuum. The defect‐rich surface displays terminal ‐OH groups, three‐coordinated O2−sites and low‐coordinated Mg2+sites, as well as single electrons trapped at oxygen vacancies, which render the MgO nanosheets highly reactive, as evidenced by the activation of CO molecules at low temperatures and pressures with formation of strongly adsorbed red‐shifted CO and coupling of CO molecules into C2species.
Centrifugally spun mats based on biopolyesters/hydroxyapatite and their potential as bone scaffolds
Authors: Padilla‐Gainza Victoria M. , Rodríguez‐Tobías Heriberto , Morales Graciela , Saucedo‐Salazar Esmeralda , Lozano Karen , Montaño‐Machado Vanessa , Mantovani Diego
Published: November 2020

This work studied the potential of centrifugal spinning for the production of fibrous materials based on poly(D,L‐lactic acid) (PDLLA) and poly(3‐hydroxybutyrate) (PHB) with hydroxyapatite nanoparticles (n‐Hap). The influence of n‐Hap concentration (5, 10, and 15 wt.%) and spinneret angular speed on the final fiber morphology were analyzed. Further experimental evaluations were implemented to determine the effect of n‐Hap on the thermal and mechanical performance. The optimum parameters that show a balance among high yield production of homogeneous fibers with the smallest fiber average diameter were found to be at 5 wt.% of n‐Hap processed at 7000 rpm for PDLLA, and 5, 10, and 15 wt.% of n‐Hap at 6000 rpm for PHB. The thermal stability, for both systems, was not significantly affected. The mechanical performance of PHB systems was improved with the addition of n‐Hap. Osteoblast cell viability tests depicted a favorable cell response on the PDLLA systems.
Facile fabrication of highly conductive poly (styrene‐co‐methacrylic acid)/ poly(aniline) microspheres based on surface carboxylation modification
Authors: Cheng Haonan , Yin Yunjie , Wang Bo , Zhu Junrong , Wang Chaoxia
Published: November 2020

Fabrication of highly conductive poly(styrene)/poly(aniline) (PS/PANI) microspheres has been considerably explored. Improving the adsorption efficiency of aniline on the PS microspheres is still a challenge by facile methods. To overcome this problem, poly(styrene‐co‐methacylic acid) (poly(St‐co‐MAA)) is firstly synthesized for capturing anilinium ions, and then the in‐situ polymerization of aniline is implemented to obtain highly conductive poly(St‐co‐MAA)/PANI microspheres. The prepared poly(St‐co‐MAA) microspheres bearing an average particle size of 238 nm possess a low polymer dispersity index (PDI, 0.082) and high zeta‐potential, which guarantee no agglomeration and deposition of microspheres latex after 30 days at room temperature. After the in‐situ polymerization of aniline, the conductive disc based on poly(St‐co‐MAA)/PANI microspheres presents a superior electrical conductivity of 14.6 S m−1 at an inferior PANI loading of 5.74 vol% and a relatively low electrical percolation threshold (EPT < 0.16 vol%). The results indicate that the carboxylic microspheres for preparing high polymer/PANI microspheres is effective. Meanwhile, poly(St‐co‐MAA)/PANI microspheres show a great potential in manufacture of conductive composites due to their excellent electrical conductivity.
Can Dual‐Energy Computed Tomography Be Used to Identify Early Calcium Crystal Deposition in the Knees of Patients With Calcium Pyrophosphate Deposition?
Authors: Budzik Jean‐François , Marzin Claire , Legrand Julie , Norberciak Laurène , Becce Fabio , Pascart Tristan
Published: November 2020

Objective

To assess the ability of dual‐energy computed tomography (DECT) in identifying early calcium crystal deposition in menisci and articular cartilage of the knee, depending on the presence/absence of chondrocalcinosis seen on conventional CT.

Methods

One hundred thirty‐two knee DECT scans from patients with suspected crystal‐associated arthropathy were reviewed and assigned to a calcium pyrophosphate deposition (CPPD) group (n = 50) or a control group (n = 82). Five DECT attenuation parameters were measured in preset regions of interest (ROIs) in menisci and articular cartilage and compared between groups using linear mixed models with adjustment for confounders. Subgroup analysis, excluding ROIs with chondrocalcinosis seen on conventional CT, was performed.

Results

In both menisci and articular cartilage, and for all 5 DECT attenuation parameters, calcified ROIs in CPPD patients showed significantly higher values than ROIs in controls (P ≤ 0.036). Conversely, noncalcified ROIs in CPPD patients were comparable with those in controls (P ≥ 0.09). While specific DECT parameters yielded good accuracy (area under the curve [AUC] 0.87–0.88) in differentiating calcified ROIs in CPPD patients from ROIs in controls, DECT failed to distinguish between noncalcified ROIs in CPPD patients and controls (AUC 0.58–0.59).

Conclusion

While DECT has the potential to characterize knee intraarticular mineralization, this technique cannot yet accurately identify early calcium crystal deposition that is not visible as chondrocalcinosis on conventional CT.
Recent Insights into Rate Performance Limitations of Li‐ion Batteries
Authors: Heubner Christian , Nikolowski Kristian , Reuber Sebastian , Schneider Michael , Wolter Mareike , Michaelis Alexander
Published: November 2020

Increasing the fast charging capabilities and the driving range of electric vehicles are major goals in Li‐ion battery research to accelerate mass market adoption and reduce greenhouse gas emissions. This requires a fundamental understanding of the performance limiting factors to enable a knowledge‐based optimization of materials, electrode design and cell architectures. Herein, electrochemical fundamentals and recent insights concerning rate performance limitations of Li‐ion batteries at the electrode level are reviewed and discussed from charge and mass transport perspectives. The application of straightforward analytical and semi‐empirical models is highlighted in view of understanding specific performance limiting factors of electrodes for Li‐ion batteries based on experimental investigations. The summarized insights are discussed regarding promising improvement strategies to approach the practical limits of liquid electrolyte‐based Li‐ion batteries.
Codelivery of survivin inhibitor and chemotherapeutics by tumor‐derived microparticles to reverse multidrug resistance in osteosarcoma
Authors: Wei Daiqing , Li Cui , Ye Junwu , Xiang Feifan , Xu Yangbo , Liu Juncai
Published: November 2020

Reportedly, the elevated expression of survivin has been observed in several tumor types, strictly involved in tumor development. In the present study, we detected elevated survivin expression in tumor tissues derived from patients with chemoresistant osteosarcoma when compared with those from chemosensitive patients. Importantly, knockdown of survivin in osteosarcoma cells significantly suppressed cell proliferation and chemoresistance both in vitro and in vivo. Simultaneously, chemotherapy mediates the upregulation of survivin in osteosarcoma cells through a survivin‐based selective killing effect, resulting in the development of multidrug resistance. The utilization of tumor‐derived microparticles to coencapsulate the survivin inhibitor YM155 and chemotherapeutic agents could effectively reverse multidrug resistance, leading to improved anticancer effects, as well as reduced systemic toxicity. In summary, the expression of survivin contributes to resistance toward osteosarcoma drugs, whereas employing survivin inhibiting combination therapy, based on a microparticle codelivery system, could efficiently reverse resistance and avoid potential systemic toxicity.
Light‐ and Manganese‐Initiated Borylation of Aryl Diazonium Salts: Mechanistic Insight on the Ultrafast Time‐Scale Revealed by Time‐Resolved Spectroscopic Analysis
Authors: Firth James D. , Hammarback L. Anders , Burden Thomas J. , Eastwood Jonathan B. , Donald James R. , Horbaczewskyj Chris S. , McRobie Matthew T. , Tramaseur Adam , Clark Ian P. , Towrie Michael , Robinson Alan , Krieger Jean‐Philippe , Lynam Jason M. , Fairlamb Ian J. S.
Published: November 2020

Manganese‐mediated borylation of aryl/heteroaryl diazonium salts emerges as a general and versatile synthetic methodology for the synthesis of the corresponding boronate esters. The reaction proved an ideal testing ground for delineating the Mn species responsible for the photochemical reaction processes, that is, involving either Mn radical or Mn cationic species, which is dependent on the presence of a suitably strong oxidant. Our findings are important for a plethora of processes employing Mn‐containing carbonyl species as initiators and/or catalysts, which have considerable potential in synthetic applications.
The Reactivity of Isomeric Nitrenium Lewis Acids with Phosphines, Carbenes, and Phosphide
Authors: Zhu Diya , Qu Zheng‐Wang , Zhou Jiliang , Stephan Douglas W.
Published: November 2020

Alkylation of spiro[fluorene‐9,3’‐indazole] at N(1) and N(2) with tBuCl affords the nitrenium cations [C6H4N2(tBu)C(C12H8)][BF4], 1 and 2, respectively. Compound 1 converts to 2 over the temperature range 303–323 K with a free energy barrier of 28±5 kcal mol−1. Reaction of 1 with PMe3 afforded the N‐bound phosphine adduct [C6H4N(tBu)N(PMe3)C(C12H8)]BF4] 3. However, phosphines attack 2 at the para‐carbon atom of the aryl group with concurrent cleavage of N(2)−C(1) bond and proton migration to C(1) affording [(R3P)C6H3NN(tBu)CH(C12H8)][BF4] (R=Me 4, nBu 5). Analogous reactions of 1 and 2 with the carbene SIMes prompt attack at the para‐carbon with concurrent loss of H. affording the radical cation salts [(SIMes)C6H3N(tBu)NC(C12H8).][BF4] 6 and [(SIMes)C6H3NN(tBu)C(C12H8).][BF4] 7, whereas reaction of 2 with BAC gives the Lewis acid‐base adduct, [C6H4N(BAC)N(tBu)C(C12H8)][BF4] 8. Finally, reactions of 1 and 2 with KPPh2 result in electron transfer affording (PPh2)2 and the persistent radicals C6H4N(tBu)NC(C12H8). and C6H4NN(tBu)C(C12H8).. The detailed reaction mechanisms are also explored by extensive DFT calculations.
Parameter identification of transport PDE/nonlinear ODE cascade model for polymer extrusion with varying die gap
Authors: Toukhtarian Raffi , Darabi Mostafa , Hatzikiriakos Savvas , Atsbha Haile , Boulet Benoit
Published: November 2020

A new transport PDE/nonlinear ODE cascade model is proposed to simulate extrudate thickness for polymer extrusion with varying die gap. The model is developed to simulate extrusion in extrusion blow moulding. A finite element method simulator is used as a reference for the proposed model to replicate its time dependent extrudate thickness profile. The parameters of the proposed model are identified by minimizing the response error between the proposed model and the finite element method simulator due to step inputs. The novel model is computationally cheap, suitable for controller design, and effective in simulating the extrudate thickness.
Caregiver engagement practices in National Cancer Institute Clinical Oncology Research Program settings: Implications for research to advance the field
Authors: Nightingale Chandylen L. , Sterba Katherine R. , McLouth Laurie E. , Kent Erin E. , Dressler Emily V. , Dest Alexandra , Snavely Anna C. , Adonizio Christian S. , Wojtowicz Mark , Neuman Heather B. , Kazak Anne E. , Carlos Ruth C. , Hudson Matthew F. , Unger Joseph M. , Kamen Charles S. , Weaver Kathryn E.
Published: November 2020

Background

Supportive care interventions have demonstrated benefits for both informal and/or family cancer caregivers and their patients, but uptake generally is poor. To the authors' knowledge, little is known regarding the availability of supportive care services in community oncology practices, as well as engagement practices to connect caregivers with these services.

Methods

Questions from the National Cancer Institute Community Oncology Research Program (NCORP)'s 2017 Landscape Survey examined caregiver engagement practices (ie, caregiver identification, needs assessment, and supportive care service availability). Logistic regression was used to assess the relationship between the caregiver engagement outcomes and practice group characteristics.

Results

A total of 204 practice groups responded to each of the primary outcome questions. Only 40.2% of practice groups endorsed having a process with which to systematically identify and document caregivers, although approximately 76% were routinely using assessment tools to identify caregiver needs and approximately 63.7% had supportive care services available to caregivers. Caregiver identification was more common in sites affiliated with a critical access hospital (odds ratio [OR], 2.44; P = .013), and assessments were less common in safety‐net practices (OR, 0.41; P = .013). Supportive care services were more commonly available in the Western region of the United States, in practices with inpatient services (OR, 2.96; P = .012), and in practices affiliated with a critical access hospital (OR, 3.31; P = .010).

Conclusions

Although many practice groups provide supportive care services, fewer than one‐half systematically identify and document informal cancer caregivers. Expanding fundamental engagement practices such as caregiver identification, assessment, and service provision will be critical to support recent calls to improve caregivers' well‐being and skills to perform caregiving tasks.