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Journal articles on the topic 'NQCs'

Author: Grafiati

Published: 2 June 2025

Last updated: 31 July 2025

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1

Poleshchuk, O. Kh, and A. C. Legona. "Density Functional Theory Studies of Bonding in Complexes H3N···XY of Ammonia and Dihalogen Molecules: A Comparison with Experimental Results from Rotational Spectroscopy." Zeitschrift für Naturforschung A 57, no. 6-7 (2002): 537–43. http://dx.doi.org/10.1515/zna-2002-6-746.

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The electron density and nuclear quadrupole coupling constants (NQCC) of the H3N...XY (n a type in Mulliken notation) complexes, (X, Y = F, Cl, Br and I), are analyzed with the aid of density functional calculations. To demonstrate the quality of the calculations, various bond lengths and NQCCs obtained by using the hybrid Becke-Lee-Perdew-Yang functional are compared with the corresponding experimental values determined from rotational spectroscopy. An analysis of the NQCC values and various quantities derived fromthe natural bond orbital approach reveals that the molecular interaction is mai

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2

शुक्ला, अर्चना. "ग्रामीण भारत में परिस्थितिक चिन्तन एवं सतत विकास: एक समालोचनात्मक दृष्टिकोण परिस्थितिकी चिन्तनः एक परिचय". Journal of Research & Development 17, № 2 (2025): 135–38. https://doi.org/10.5281/zenodo.15067491.

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Abdelmawla, Amal, Xin Li, Wenkai Shi, Yunlin Zheng, Zhijiang Zeng, and Xujiang He. "Roles of DNA Methylation in Color Alternation of Eastern Honey Bees (Apis cerana) Induced by the Royal Jelly of Western Honey Bees (Apis mellifera)." International Journal of Molecular Sciences 25, no. 6 (2024): 3368. http://dx.doi.org/10.3390/ijms25063368.

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Honey bees have a very interesting phenomenon where the larval diets of two different honey bee species are exchanged, resulting in altered phenotypes, namely, a honey bee nutritional crossbreed. This is a classical epigenetic process, but its underlying mechanisms remain unclear. This study aims to investigate the contribution of DNA methylation to the phenotypic alternation of a Apis mellifera–Apis cerana nutritional crossbreed. We used a full nutritional crossbreed technique to rear A. cerana queens by feeding their larvae with A. mellifera royal-jelly-based diets in an incubator. Subsequen

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McDermott, I., E. Schafheutle, and S. Willis. "Supporting newly qualified pharmacists in transitioning to independent practice: a qualitative analysis of the role of supervision." International Journal of Pharmacy Practice 32, Supplement_1 (2024): i11. http://dx.doi.org/10.1093/ijpp/riae013.014.

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Abstract Introduction Newly qualified pharmacists (NQPs) face a demanding and challenging work environment during their transition to independent practice.[1,2] They also face challenges related to the changing nature of pharmacy practice, with pharmacists playing an increasingly important clinical role in patient care, which can be daunting for NQPs. Supporting NQPs during this transition period is essential for ensuring the sustainable development of health services. In 2021, Health Education England introduced the Newly Qualified Pharmacist Pathway, which included access to the Royal Pharma

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5

Klages, Wiebke, Magritt Lundestad, and Paul Robert Sundar. "Mentoring of newly qualified teachers in early childhood education and care centres." International Journal of Mentoring and Coaching in Education 9, no. 1 (2019): 103–18. http://dx.doi.org/10.1108/ijmce-02-2019-0040.

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Purpose The purpose of this paper is to present and discuss contrasting perceptions regarding “leadership and mentoring” among leaders of Norwegian early childhood education and care (ECEC) centres in their mentoring practices with newly qualified early childhood teachers (NQTs). Design/methodology/approach Semi-structured qualitative interviews were conducted with eight leaders in Norwegian ECEC centres. Findings Leaders in dual roles as leaders and mentors have varying orientations in mentoring NQTs. The paper presents the findings as two main orientations: an individual and an organizationa

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6

Keates, Chris. "Handy hints for NQTs." Primary Teacher Update 2012, no. 5 (2012): 48–57. http://dx.doi.org/10.12968/prtu.2012.1.5.48.

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7

Keates, Chris. "What can NQTs expect?" Primary Teacher Update 2013, no. 23 (2013): 48–50. http://dx.doi.org/10.12968/prtu.2013.1.23.48.

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8

Keates, Chris. "Supporting all our NQTs…" SecEd 2017, no. 33 (2017): 8. http://dx.doi.org/10.12968/sece.2017.33.8.

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9

Bray, Lisa, and Rose Falzon. "Exploring the Transition from Nursing Students to Newly Qualified Nurses: A Phenomenological Study." MCAST Journal of Applied Research & Practice 8, no. 1 (2024): 105–34. http://dx.doi.org/10.5604/01.3001.0054.5097.

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This study explores the transition from nursing students (NS) to newly qualified nurses (NQNs), a role which is known for its rewarding yet demanding nature. NQNs often face a “reality shock”, as the increased demands of the profession can be unexpected. This research aims to delve into the lived experiences of NQNs, conduct a comprehensive global literature review, determine the optimal research methodology, and provide recommendations for nursing practice, education, and research. Utilising qualitative interpretative phenomenological analysis (IPA), the study conducted individual interviews

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10

Watson, Heather, and Donna Brown. "Experiences of newly qualified midwives working in clinical practice during their transition period." British Journal of Midwifery 29, no. 9 (2021): 524–30. http://dx.doi.org/10.12968/bjom.2021.29.9.524.

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Background With greater numbers of midwives being trained to counteract the predicted shortages, it seems that it is now more vital than ever to explore how newly qualified midwives (NQMs) describe their experiences in the clinical environment, the support they have received, and identify barriers to their development during the transition period. Aim The aim of this study was to explore NQMs experiences of working clinically during the transition from student to qualified midwife. Method Using a qualitative approach, eight NQMs participated in semi-structured interviews. Findings The findings

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11

Darawad, Muhammad W., Mansour Mansour, and Tahany Al-Niarat. "Organisational empowerment and assertive communication behaviours: a survey of Jordanian newly qualified nurses." British Journal of Nursing 29, no. 7 (2020): 419–25. http://dx.doi.org/10.12968/bjon.2020.29.7.419.

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Background: Newly qualified nurses (NQNs) face several challenges in their early years of practice. Being empowered and able to speak up against unsafe practice are two important pillars for practising nursing safely and competently. Little research has examined the potential correlation between those two dimensions in the context of NQNs in Jordan. Aims: To investigate the correlation between NQNs' perceived structural empowerment in their work setting and their willingness to challenge unsafe practice in some hypothetical clinical scenarios. Methods: A cross-sectional survey involved 233 NQN

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12

Palmer, Michael H. "The ab initio Calculation of Nuclear Quadrupole Coupling Constants and their Comparison with Experiment." Zeitschrift für Naturforschung A 45, no. 3-4 (1990): 357–67. http://dx.doi.org/10.1515/zna-1990-3-425.

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Abstract Ab initio calculations of electric field gradients (EFG) and conversion to nuclear quadrupole coupling constants (NQCC) are described, with particular reference to 14 N and 10,11B. The correlation of EFG and NQCC for a series of boranes leads to the value 8.32 MHz/a.u. (0.0354 barn) for Q(11B). The structural variations of these microwave and single molecule calculations of 10,11 B NQCC are discussed.

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13

Schepens, Maike H. J., Annemarie C. Trompert, Miranda L. van Hooff, et al. "Using Existing Clinical Information Models for Dutch Quality Registries to Reuse Data and Follow COUMT Paradigm." Applied Clinical Informatics 14, no. 02 (2023): 326–36. http://dx.doi.org/10.1055/s-0043-1767681.

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Abstract Background Reuse of health care data for various purposes, such as the care process, for quality measurement, research, and finance, will become increasingly important in the future; therefore, “Collect Once Use Many Times” (COUMT). Clinical information models (CIMs) can be used for content standardization. Data collection for national quality registries (NQRs) often requires manual data entry or batch processing. Preferably, NQRs collect required data by extracting data recorded during the health care process and stored in the electronic health record. Objectives The first objective

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OLIVER, AuthAngela, and ET AL. "Bridging the gap: strengthening testing capabilities of national medicines quality control laboratories in West Africa." International Journal of Pharmaceutical, Physico-chemical and Nutritional Analysis 1, no. 2 (2023): 35–39. http://dx.doi.org/10.61585/ucad-ijppna-v1i207.

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Laboratory testing to assure the quality and safety of medicines is a critical component of public health. Across Africa, national regulatory authorities are challenged by a lack of sufficient capabilities within their national quality control laboratories (NQCLs) to perform analyses in a consistent, reliable, and accurate manner. The United States Agency for International Development founded-program, Promoting the Quality of Medicines and its successor Promoting the Quality of Medicines Plus, both implemented by United States Pharmacopeia, have worked to strengthen the testing capabilities of

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15

Sims, Sam, and Rebecca Allen. "Identifying Schools With High Usage and High Loss of Newly Qualified Teachers." National Institute Economic Review 243 (February 2018): R27—R36. http://dx.doi.org/10.1177/002795011824300112.

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In England, teacher shortages have worsened in recent years and one contributor is the declining rates of retention among newly qualified teachers (NQTs). We employ a method developed in the health-statistics literature to identify schools that both recruit an unusually high level of NQTs and lose an unusually high level of NQTs from the profession. We show that this small group of schools, which are likely characterised by poor working conditions, are responsible for a disproportionately large amount of attrition from the teaching profession. This has a material effect on overall teacher shor

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UGRAPPA, S., N. K. FULORIA, P. LALITHA, et al. "Synthesis, Characterization and in vitro Anticancer Activity of New Quinoline Analogues against Oral Squamous Cell Carcinoma." Asian Journal of Chemistry 35, no. 10 (2023): 2468–74. http://dx.doi.org/10.14233/ajchem.2023.28057.

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Oral squamous cell carcinoma (OSCC) developed from mucosal lining of oral cavity is ranked as 6th most common cancer worldwide. Adverse effects of available anticancer agents intended present work to carry out the synthesis, characterization and evaluation of new quinoline analogues (NQA) against OSCC cell lines. In present study, substituted quinoline (1) was treated with ethyl chloroacetate to offer ester derivative (2), which on treatment with hydrazine hydrate yielded hydrazide derivative (3), which was cyclized into oxadiazole derivative (4) when cyclized with 4-methoxy benzoic acid. Char

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Kutsyuruba, Benjamin, and Christopher Bezzina. "Head of School Engagement in Teacher Induction and Mentoring in Malta." European Journal of Educational Management 7, no. 2 (2024): 109–24. http://dx.doi.org/10.12973/eujem.7.2.109.

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Research has shown that school leaders’ engagement in teacher induction is vital for establishing supportive school structures and conditions that are conducive to successful socialization and long-term sustenance of newly qualified teachers (NQTs). In Malta, the problem of teacher recruitment and a growing attrition rate is becoming very acute. This article describes findings from an exploratory qualitative study that examined the perceptions of five heads of schools regarding their engagement in the induction and mentoring programs that have been designed to support NQTs in Malta. The findin

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18

Onilude, Yemi, Omorogieva Ojo, David Evans, et al. "How Does the Pre-Registration Midwifery Programme Prepare the Newly Qualified Midwives for Their Post-Registration Perinatal Mental Health Role? A Mixed Methods Study." Healthcare 12, no. 23 (2024): 2329. http://dx.doi.org/10.3390/healthcare12232329.

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Objective: In the United Kingdom (UK) and most countries worldwide, midwives are professionally required to undertake an initial perinatal mental health (PMH) risk assessment at every maternity contact. However, studies have found that midwives feel that they are not well-equipped to provide effective care for women with PMH needs. This study explores how the newly qualified midwives (NQMs) are prepared through pre-registration midwifery education and placements to have sufficient confidence in their knowledge, attitude, skills, and habits (KASH) for their post-registration PMH role. Methods:

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19

Kyung, Hwan Kim et al. "Temperature-Independent Nuclear Quantum Effects on the Structure of Water." Physical Review Letters 119 (August 14, 2017): 075502. https://doi.org/10.1103/PhysRevLett.119.075502.

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  Nuclear quantum effects (NQEs) have a significant influence on the hydrogen bonds in water and aqueous solutions and have thus been the topic of extensive studies. However, the microscopic origin and the corresponding temperature dependence of NQEs have been elusive and still remain the subject of ongoing discussion. Previous x-ray scattering investigations indicate that NQEs on the structure of water exhibit significant temperature dependence [Phys. Rev. Lett. 94, 047801 (2005)]. Here, by performing wide-angle x-ray scattering of H2O and D2O droplets at temperatures from 275 K down to

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Palmer, Michael H., and John A. Blair-Fish. "Halogen Nuclear Quadrupole Coupling Constants in Non-axially symmetric Molecules; Ab initio Calculations, which Include Correlation, Compared with Experiment." Zeitschrift für Naturforschung A 53, no. 6-7 (1998): 370–82. http://dx.doi.org/10.1515/zna-1998-6-718.

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Abstract Ab initio determination of the electric field gradient (EFG) tensors at halogen and other centres ena-bled determination of the nuclear quadrupole coupling constants (NQCC) for a diverse set of C2v , C3v and other symmetry molecules of general formula MH2X2 and MHX3 , where the halogen atoms (X) are Cl, Br and I, and the heavy central atoms (M) are C and Si. The study presents results at a standardised level of calculation, triple-zeta in the valence space plus polarisation functions (TZVP) for the equilib-rium geometry stage; all-electron MP2 correlation is included in all these stud

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Cowley, Sue. "Twenty top tips for NQTs." Primary Teacher Update 2013, no. 23 (2013): 51–53. http://dx.doi.org/10.12968/prtu.2013.1.23.51.

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22

Hall, Allen. "Five essential habits for NQTs." SecEd 2015, no. 31 (2015): 10. http://dx.doi.org/10.12968/sece.2015.31.10.

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23

Føinum, Merete. "Når skolens behov blir viktigere enn formell kompetanse: Hvordan veilede nyutdannede lærere til å undervise i skolefag de ikke har?" Acta Didactica Norge 10, no. 2 (2016): 290–310. http://dx.doi.org/10.5617/adno.2446.

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Studien undersøker veiledning av nyutdannede lærere ved en norsk ungdomsskole. Artikkelen problematiserer de ekstra krevende arbeidsbetingelsene som disse nye lærerne møtte i sitt første år, da de ble satt til å undervise i skolefag de ikke hadde studert. Forskningsspørsmålet er: Hvordan fremstiller nyutdannede ungdomsskolelærere sine opplevelser med å undervise i skolefag de ikke selv er formelt kvalifisert i, og på hvilke måter kan veiledning bidra med støtte? Artikkelen presenterer utdrag fra veiledningssamtaler som eksemplifiserer to nye læreres fremstilling av eget arbeid med elevvurderin

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Burnell, Gillian, Amsale Wamburu, and Barry Hill. "Enhancing the retention of newly qualified nurses." British Journal of Nursing 34, no. 6 (2025): 316–19. https://doi.org/10.12968/bjon.2024.0359.

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The retention of newly qualified nurses (NQNs) is a pressing issue in healthcare systems, particularly in high-pressure environments such as acute care. This article explores the key challenges faced by NQNs, including lack of career development opportunities, negative workplace cultures and burnout, all of which contribute to high turnover rates. Strategies such as structured preceptorship and mentorship programmes, emotional wellbeing initiatives, and leadership support are examined. The article underscores the importance of building a positive work environment to retain NQNs, thereby improv

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Poleshchuk, O. Kh, and J. N. Latosińska. "Quadrupole Coupling Constants and Mössbauer Isomeric Shifts in Antimony Compounds within Gaussian 98." Zeitschrift für Naturforschung A 55, no. 1-2 (2000): 276–80. http://dx.doi.org/10.1515/zna-2000-1-249.

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The electron density and quadrupole coupling constants of molecules containing Sb are analysed. The NQCC for antimony, calculated using the extended basis 6-311G** are much lower than the experimental data, while the use of the small 3-21G* basis led to NQCC closer to the experimental ones.

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Mac Mahon, Brendan, Seán Ó. Grádaigh, and Sinéad Ní Ghuidhir. "From iTE to NQT." International Journal of Mobile and Blended Learning 10, no. 2 (2018): 8–19. http://dx.doi.org/10.4018/ijmbl.2018040102.

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This article outlines a study to examine if newly qualified teachers (NQTs) who had incorporated iPad within pedagogical practice during initial teacher education, continued to do so in their first two years of teaching, and also to identify the challenges to integration that emerged. Findings show that use of iPad in teaching, learning and assessment by NQTs during induction year was followed by a significant fall in Year 2. Deeply embedded external barriers at both system and individual school context level are shown to exert significant influence on the use of iPad within pedagogical practi

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Nordin, Annika Maria Margareta, Boel Andersson Gäre, and Ann-Christine Andersson. "Prospective sensemaking of a national quality register in health care and elderly care." Leadership in Health Services 31, no. 4 (2018): 398–408. http://dx.doi.org/10.1108/lhs-03-2017-0012.

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Purpose The purpose of this paper is to examine how external change agents (ECAs) engaged to disseminate a national quality register (NQR) called Senior alert nationwide in the Swedish health care and elderly care sectors interpret their work. To study this, sensemaking theories are used. Design/methodology/approach This is a qualitative inductive interview study including eight ECAs. To analyze the data, a thematic analysis is carried out. Findings Well-disseminated NQRs support health care organizations’ possibility to work with quality improvement and to improve care for patient groups. NQR

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Mone, Nishigandha S., Srushti A. Bhagwat, Deepansh Sharma, et al. "Naphthoquinones and Their Derivatives: Emerging Trends in Combating Microbial Pathogens." Coatings 11, no. 4 (2021): 434. http://dx.doi.org/10.3390/coatings11040434.

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In the current era, an ever-emerging threat of multidrug-resistant (MDR) pathogens pose serious health challenges to mankind. Researchers are uninterruptedly putting their efforts to design and develop alternative, innovative strategies to tackle the antibiotic resistance displayed by varied pathogens. Among several naturally derived and chemically synthesized compounds, quinones have achieved a distinct position to defeat microbial pathogens. This review unleashes the structural diversity and promising biological activities of naphthoquinones (NQs) and their derivatives documented in the past

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Khurshied Wani, Ermeen, Suhail Mansoor, Malik Roohi Iqbal, and Majid Jehangir. "KNOWLEDGE, ATTITUDE AND PRACTICES TOWARDS STANDARDS OF WORKING IN A PERIPHERAL INSTITUTE THROUGH APPLICATION OF ISQUA (INTERNATIONAL SOCIETY FOR QUALITY IN HEALTHCARE) ACCREDITED NQAS (NATIONAL QUALITY ASSURANCE STANDARDS) GUIDELINES." International Journal of Advanced Research 12, no. 01 (2024): 599–610. http://dx.doi.org/10.21474/ijar01/18160.

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Objective: To study change in knowledge, attitude and practices of healthcare employees through implementation of quality standards for a period of one year. Inclusion criteria: All healthcare employees including doctors and paramedics who were supposed to be posted at our hospital for next two years. Exclusion criteria: Employees with impending transfer to other institutions. Methodology: A cross sectional study was carried out after implementation of quality standard (NQAS) National quality assurance standards. The study was carried out for one year from January 2023 to December 2023.Our sam

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Higginbotham, Christine. "Professional development: life or death after pre-service training?" ELT Journal 73, no. 4 (2019): 396–408. http://dx.doi.org/10.1093/elt/ccz021.

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Abstract Within the ELT profession there has been some discussion regarding the appropriateness of one-month pre-service teacher training courses such as CELTA. These courses are designed on the assumption that graduates will need further support and professional development in their first post. This paper examines the extent to which 115 newly qualified teachers (NQTs) were supported in their first teaching posts and addresses a second concern: do short, intensive courses encourage trainees to develop reflective-practice skills? The findings suggest that generally NQTs are not well supported

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Tsang, Nga Yi, Wai I. Chik, Lai Pan Sze, Ming-Zhong Wang, Siu Wai Tsang, and Hong-Jie Zhang. "The Use of Naphthoquinones and Furano-naphthoquinones as Antiinvasive Agents." Current Medicinal Chemistry 25, no. 38 (2019): 5007–56. http://dx.doi.org/10.2174/0929867324666171006131927.

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Background: Cancer is a leading cause of mortality in the world and metastasis is to blame. A number of naphthoquinones (NQs) have shown ability to reduce cancer stemness and metastatic potential. Furano-naphthoquinones (FNQs), which is a class of NQ characterized by the incorporation of an additional furan ring, have demonstrated improved anti-cancer potency as compared to the other classes of NQs. Objective: In this study, the natural origins, synthetic routes and derivatives of migrastatic NQs were reviewed. The anti-invasive and anti-metastatic mechanisms of NQs and the more powerful FNQs

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Polonik, Sergey, Galina Likhatskaya, Yuri Sabutski, et al. "Synthesis, Cytotoxic Activity Evaluation and Quantitative Structure-ActivityAnalysis of Substituted 5,8-Dihydroxy-1,4-naphthoquinones and Their O- and S-Glycoside Derivatives Tested against Neuro-2a Cancer Cells." Marine Drugs 18, no. 12 (2020): 602. http://dx.doi.org/10.3390/md18120602.

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Based on 6,7-substituted 2,5,8-trihydroxy-1,4-naphtoquinones (1,4-NQs) derived from sea urchins, five new acetyl-O-glucosides of NQs were prepared. A new method of conjugation of per-O-acetylated 1-mercaptosaccharides with 2-hydroxy-1,4-NQs through a methylene spacer was developed. Methylation of 2-hydroxy group of quinone core of acetylthiomethylglycosides by diazomethane and deacetylation of sugar moiety led to 28 new thiomethylglycosidesof 2-hydroxy- and 2-methoxy-1,4-NQs. The cytotoxic activity of starting 1,4-NQs (13 compounds) and their O- and S-glycoside derivatives (37 compounds) was d

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33

Siraj, Iram, Steven J. Howard, Denise Kingston, Cathrine Neilsen‑Hewett, Edward C. Melhuish, and Marc De Rosnay. "Comparing regulatory and non-regulatory indices of Early Childhood Education and Care (ECEC) quality in the Australian early childhood sector." Estudos em Avaliação Educacional 30, no. 75 (2020): 958. http://dx.doi.org/10.18222/eae.v30i75.6925.

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<p>Este estudo analisa as associações entre as pontuações provenientes de processos regulatórios de avaliação da qualidade da educação infantil australiana (Early Childhood Education and Care – ECEC) do National Quality Standard (NQS)2 e das duas escalas de avaliação de qualidade (SSTEW – Sustained Shared Thinking and Well Being; e ECERS-E – Early Childhood Environment Rating Scale-Extension). A amostra consiste em 257 unidades de ECEC em três estados australianos. Os resultados indicaram: associações positivas modestas entre as pontuações do NQS e das escalas; alguma especificidade entr

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Palmer, Michael H. "The ab initio Calculation of Nuclear Quadrupole Coupling Constants with Special Reference to 33S." Zeitschrift für Naturforschung A 47, no. 1-2 (1992): 203–16. http://dx.doi.org/10.1515/zna-1992-1-235.

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AbstractThe ab initio calculation of 33S nuclear quadrupole coupling constants (NQCC) for a range of S-containing compounds with S2, S4 and S6 bonding types is described. All of the calculations used a triple zeta valence + polarisation basis set (TZVP) of gaussian type orbitals; all of the molecules were studied at the TZVP equilibrium geometry. The electric field gradients (EFG) calculated were correlated with the experimental NQCC obtained by either microwave spectroscopy (MW), nuclear quadrupole resonance (NQR) or NMR relaxation methods; although the experimental data cover a wide diversit

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Aparício, Carlos, and Jeniffer Nicholson. "Do preceptorship and clinical supervision programmes support the retention of nurses?" British Journal of Nursing 29, no. 20 (2020): 1192–97. http://dx.doi.org/10.12968/bjon.2020.29.20.1192.

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Background: The reasons for nurse shortages are the ageing healthcare workforce, increasing demand for services, employee dissatisfaction, life–work imbalance and burnout. Aim: To review the literature to find out whether there is evidence to support preceptorship and clinical supervision programmes in retaining nurses, and particularly newly qualified nurses (NQNs), in clinical practice. Methods: A search of databases, as well as other sources, was carried out, with six studies selected for data analysis. Findings: Thematic analysis was used to synthesise the results and produced seven themes

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Okraj, Zofia, and Rachel Lenihan. "Supporting newly qualified teachers (NQTs) in Ireland." Problemy Opiekuńczo-Wychowawcze 634, no. 9 (2024): 66–76. https://doi.org/10.5604/01.3001.0054.8988.

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This article aims to present systemic solutions designed to support novice teachers in their transition to working in schools in Ireland. It focuses on the main programme, as well as a specific process within this system – ‘Droichead.’ It is an introductory process that, importantly, supports newly qualified teachers (NQTs) in the early stages of their professional careers. The article provides a description of the needs of novice teachers in Ireland, an outline of their education model, including professional internships, and details the elements of the support system for NQTs. This system in

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Scharfetter, Fischer, Krassnig, Thonhofer, Theyer, and Gösweiner. "Tris(2-Methoxyphenyl)Bismuthine Polymorphism Characterized by Nuclear Quadrupole Resonance Spectroscopy." Crystals 9, no. 9 (2019): 446. http://dx.doi.org/10.3390/cryst9090446.

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Based on the previous identification of metastable polymorphs in crystalline triphenylbismuth by nuclear quadrupole resonance spectroscopy (NQRS), the potential formation of similar phases was studied in Tris(2-Methoxyphenyl)Bismuthine. To this end, commercial samples with known NQRS properties were molten and re-crystallized at different speeds (shock freezing in different coolants versus slow cooling inside of a heater). In all recrystallization products we have identified a new crystal phase which has not been observed after synthesis from a solution. The new crystallographic structure has

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Ahmadi, Esmaeil Sheikh, Amir Tajbakhsh, Milad Iranshahy, et al. "Naphthoquinone Derivatives Isolated from Plants: Recent Advances in Biological Activity." Mini-Reviews in Medicinal Chemistry 20, no. 19 (2020): 2019–35. http://dx.doi.org/10.2174/1389557520666200818212020.

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Naturally occurring naphthoquinones (NQs) comprising highly reactive small molecules are the subject of increasing attention due to their promising biological activities such as antioxidant, antimicrobial, apoptosis-inducing activities, and especially anticancer activity. Lapachol, lapachone, and napabucasin belong to the NQs and are in phase II clinical trials for the treatment of many cancers. This review aims to provide a comprehensive and updated overview on the biological activities of several new NQs isolated from different species of plants reported from January 2013 to January 2020, th

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Olson, Kenneth R., Kasey J. Clear, Yan Gao, et al. "Redox and Nucleophilic Reactions of Naphthoquinones with Small Thiols and Their Effects on Oxidization of H2S to Inorganic and Organic Hydropolysulfides and Thiosulfate." International Journal of Molecular Sciences 24, no. 8 (2023): 7516. http://dx.doi.org/10.3390/ijms24087516.

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Naphthoquinone (1,4-NQ) and its derivatives (NQs, juglone, plumbagin, 2-methoxy-1,4-NQ, and menadione) have a variety of therapeutic applications, many of which are attributed to redox cycling and the production of reactive oxygen species (ROS). We previously demonstrated that NQs also oxidize hydrogen sulfide (H2S) to reactive sulfur species (RSS), potentially conveying identical benefits. Here we use RSS-specific fluorophores, mass spectroscopy, EPR and UV-Vis spectrometry, and oxygen-sensitive optodes to examine the effects of thiols and thiol-NQ adducts on H2S-NQ reactions. In the presence

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Keçeci, Mehmet. "Nanoscale Quantum Computers Fundamentals, Technologies, and Future Perspectives." May 23, 2025. https://doi.org/10.5281/zenodo.15493025.

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Nanoscale Quantum Computers Fundamentals, Technologies, and Future Perspectives <strong>Mehmet Keçeci<sup>1</sup></strong> <strong><sup>1</sup></strong><strong>ORCID </strong>: https://orcid.org/0000-0001-9937-9839, İstanbul, Türkiye <strong> </strong> <strong>Received</strong>: 23.05.2025   <strong>Abstract:</strong><strong> </strong> <strong> </strong> Nanoscale quantum computers (nQCs) represent a revolutionary research frontier aiming to transcend current macroscopic quantum computing approaches by integrating the fundamental principles of quantum mechanics at th

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Mezera, Matej, Jana Menšíková, Pavel Baláž, and Martin Žonda. "Neural network quantum states analysis of the Shastry-Sutherland model." SciPost Physics Core 6, no. 4 (2023). http://dx.doi.org/10.21468/scipostphyscore.6.4.088.

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We utilize neural network quantum states (NQS) to investigate the ground state properties of the Heisenberg model on a Shastry-Sutherland lattice using the variational Monte Carlo method. We show that already relatively simple NQSs can be used to approximate the ground state of this model in its different phases and regimes. We first compare several types of NQSs with each other on small lattices and benchmark their variational energies against the exact diagonalization results. We argue that when precision, generality, and computational costs are taken into account, a good choice for addressi

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Rafiee, Marjan A. "Anti‐Coronavirus Activity of Certain Herbacetin Derivatives, A Theoretical Study." ChemistrySelect 9, no. 15 (2024). http://dx.doi.org/10.1002/slct.202303477.

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AbstractFlavonoids are natural products commonly found in the human diet with anti‐viral activity. The electrochemical activity of flavonoids is effective in their inhibitory properties. Herbacetin is an anti‐coronavirus drug from the flavonoid family. To understand structure‐electrochemical activity relations, ab initio calculations on some selected herbacetin derivatives were carried out using Gaussian 09 in B3LYP/6‐311G*. The effect of the position and type of the various substituents in the ring A of the flavone backbone are considered. The oxygen charge density of the hydroxyl group on C8

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Rende, Riccardo, Sebastian Goldt, Federico Becca, and Luciano Loris Viteritti. "Fine-tuning neural network quantum states." Physical Review Research 6, no. 4 (2024). https://doi.org/10.1103/physrevresearch.6.043280.

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Recent progress in the design and optimization of neural-network quantum states (NQSs) has made them an effective method to investigate ground-state properties of quantum many-body systems. In contrast to the standard approach of training a separate NQS from scratch at every point of the phase diagram, we demonstrate that the optimization of a NQS at a highly expressive point of the phase diagram (i.e., close to a phase transition) yields features that can be reused to accurately describe a wide region across the transition. We demonstrate the feasibility of our approach on different systems i

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Vargas-Calderón, Vladimir, Herbert Vinck-Posada, and Fabio A. González. "An empirical study of quantum dynamics as a ground state problem with neural quantum states." Quantum Information Processing 22, no. 4 (2023). http://dx.doi.org/10.1007/s11128-023-03902-9.

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AbstractWe consider the Feynman–Kitaev formalism applied to a spin chain described by the transverse-field Ising model. This formalism consists of building a Hamiltonian whose ground state encodes the time evolution of the spin chain at discrete time steps. To find this ground state, variational wave functions parameterised by artificial neural networks—also known as neural quantum states (NQSs)—are used. Our work focuses on assessing, in the context of the Feynman–Kitaev formalism, two properties of NQSs: expressivity (the possibility that variational parameters can be set to values such that

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Levinson, Simon, Pieter Willem Nel, and Louise-Margaret Conlan. "Experiences of newly qualified clinical psychologists in CAMHS." Journal of Mental Health Training, Education and Practice ahead-of-print, ahead-of-print (2021). http://dx.doi.org/10.1108/jmhtep-08-2019-0043.

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Purpose There is a gap in the literature regarding the experiences of newly qualified Clinical Psychologists (NQCPs) working within Child and Adolescent Mental Health Services (CAMHS) in the National Health Service (NHS). This paper aims to explore three aspects of newly qualified Clinical Psychologists’ experiences: their transition and development; working in multi-disciplinary teams located in large organisations; and support and coping in the role. Design/methodology/approach Seven participants each engaged in one semi-structured interview, and an interpretative phenomenological analysis w

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Kandasamy, Murugesh, Kit-Kay Mak, Thangaraj Devadoss, et al. "Construction of a novel quinoxaline as a new class of Nrf2 activator." BMC Chemistry 13, no. 1 (2019). http://dx.doi.org/10.1186/s13065-019-0633-4.

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Abstract Background The transcription factor Nuclear factor erythroid-2-related factor 2 (NRF2) and its principal repressive regulator, Kelch-like ECH-associated protein 1 (KEAP1), are perilous in the regulation of inflammation, as well as maintenance of homeostasis. Thus, NRF2 activation is involved in cytoprotection against many inflammatory disorders. N′-Nicotinoylquinoxaline-2-carbohdyrazide (NQC) was structurally designed by the combination of important pharmacophoric features of bioactive compounds reported in the literature. Methods NQC was synthesised and characterised using spectrosco

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Gokool-Ramdoo, Sushita, and Anwar Bhai Rumjaun. "Education for sustainable development: Connecting the dots for sustainability." Journal of Learning for Development 4, no. 1 (2017). http://dx.doi.org/10.56059/jl4d.v4i1.170.

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Critical pedagogy, practitioner experience and a regulatory perspective are employed to scrutinize the notion of Education for Sustainable Development (ESD) as it occurs in the literature. They promote understanding of the challenges impeding the completion of unfinished ESD businesses. In response to practitioner-expressed needs, this paper innovatively proposes a Sustainable Development-compliant National Qualifications and Credit Framework (SD-NQCF) as the instrument to finally connect isolated ESD ‘dots’ and scaffold their sustainability.Informed by a systems approach, this framework encou

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Ibarra-García-Padilla, Eduardo, Hannah Lange, Roger G. Melko, et al. "Autoregressive neural quantum states of Fermi Hubbard models." Physical Review Research 7, no. 1 (2025). https://doi.org/10.1103/physrevresearch.7.013122.

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Neural quantum states (NQSs) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the Fermi-Hubbard and the (non-Hermitian) Hatano-Nelson-Hubbard models in one and two dimensions. In both cases, we observe that the convergence of the RNN ansatz is challenged when increasing the interaction strength. We present a physically motivated and easy-to-implement strategy for improving the optimization, namely, by ramping of the model parameters. Fur

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Mickky, Bardees M. "N-Doped Quantum Dots Promote Rice Germination and Enhance Its Drought Tolerance at Seedling Stage." Journal of Soil Science and Plant Nutrition, December 13, 2024. https://doi.org/10.1007/s42729-024-02149-2.

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AbstractThe current study aimed to synthesize nitrogen-doped quantum dots (NQDs) and to study their effect on germination and drought tolerance of two rice cultivars (Sakha Super 300 and Sakha 108) at seedling stage. Microwave-assisted carbonization of glucose in presence of ammonia was followed to obtain NQDs that were characterized by spectral analysis, FTIR, electron microscopy, zetametry, elemental analysis and cytotocicty assessment. Grains of the two rice cultivars were primed in NQDs then germination rate and seedling growth parameters were determined under control and polyethylene glyc

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"The perceptions of teachers and heads of department on the roles of a formal mentor in a Zambian Secondary School." Teacher Education Through Flexible Learning in Africa 1, no. 1 (2020). http://dx.doi.org/10.35293/tetfle.v1i1.62.

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This paper reports on research work concerning the perceptions of newly qualified teachers (NQTs) and heads of department (HoDs) regarding the roles of formal mentors in helping newly qualified teachers in selected secondary schools in Zambia. These NQTs could be products of a conventional teacher preparation programme through fulltime study, part-time or parallel study, or an Open and Distance Learning Programme. The purpose of the study was to establish what NQTs and HoDs believed to be key areas in which NQTs needed to be mentored in order to help them adapt to the requirements of their tea

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