keyword
https://read.qxmd.com/read/38710673/decarboxylative-stereoretentive-c-n-coupling-by-harnessing-aminating-reagent
#21
JOURNAL ARTICLE
Jeonguk Kweon, Bumsu Park, Dongwook Kim, Sukbok Chang
In recent decades, strategies involving transition-metal catalyzed carbon-carbon or carbon-heteroatom bond coupling have emerged as potent synthetic tools for constructing intricate molecular architectures. Among these, decarboxylative carbon-nitrogen bond formation using abundant carboxylic acids or their derivatives has garnered notable attention for accessing alkyl- or arylamines, one of key pharmacophores. While several decarboxylative amination methods have been developed, the involvement of a common carboradical intermediate currently poses challenges in achieving stereospecific transformation toward chiral alkylamines...
May 6, 2024: Nature Communications
https://read.qxmd.com/read/38710042/efficient-modeling-of-water-adsorption-in-mofs-using-interpolated-transition-matrix-monte-carlo
#22
JOURNAL ARTICLE
Bartosz Mazur, Lucyna Firlej, Bogdan Kuchta
With the specter of accelerating climate change, securing access to potable water has become a critical global challenge. Atmospheric water harvesting (AWH) through metal-organic frameworks (MOFs) emerges as one of the promising solutions. The standard numerical methods applied for rapid and efficient screening for optimal sorbents face significant limitations in the case of water adsorption (slow convergence and inability to overcome high energy barriers). To address these challenges, we employed grand canonical transition matrix Monte Carlo (GC-TMMC) methodology and proposed an efficient interpolation scheme that significantly reduces the number of required simulations while maintaining accuracy of the results...
May 6, 2024: ACS Applied Materials & Interfaces
https://read.qxmd.com/read/38709572/the-synthesis-of-amino-acid-anchored-two-dimensional-silicoaluminophosphates-and-congo-red-adsorption-application
#23
JOURNAL ARTICLE
Obaid Khan, Ninad D Anjikar, Mohan K Nalabothu, Madelyne E Dunn, Ward B I Sweilem, Shaowei Yang
Two-dimensional (2D) materials with nanometer thickness have the advantage of a large specific surface area and excellent surface accessibility. They have great potential for adsorption, catalysis, and many other applications. 2D zeolitic silicoaluminophosphates (SAPOs) can be synthesized through a dual structure directing agent (SDA) strategy. But the materials have been primarily used in their organic-free form. In this work, we demonstrate that the same synthesis strategy is effective for developing amino-acid-anchored 2D SAPOs through a one-step synthesis...
May 6, 2024: Langmuir: the ACS Journal of Surfaces and Colloids
https://read.qxmd.com/read/38708622/biocompatible-synthesis-of-macrocyclic-thiazol-in-e-peptides
#24
JOURNAL ARTICLE
Junming He, Christoph Nitsche
Macrocyclic peptides containing a thiazole or thiazoline in the backbone are considered privileged structures in both natural compounds and drug discovery, owing to their enhanced bioactivity, stability, and permeability. Here, we present the biocompatible synthesis of macrocyclic peptides from N-terminal cysteine and C-terminal nitrile. While the N-terminal cysteine is incorporated during solid-phase peptide synthesis, the C-terminal nitrile is introduced during cleavage with aminoacetonitrile, utilizing a cleavable benzotriazole linker...
May 6, 2024: Chemistry: a European Journal
https://read.qxmd.com/read/38708617/reappraising-the-role-of-intraoperative-neck-margin-revision-in-post-neoadjuvant-pancreatoduodenectomy-for-pancreatic-ductal-adenocarcinoma-a-multi-institutional-analysis
#25
JOURNAL ARTICLE
Giuseppe Malleo, Gabriella Lionetto, Stefano Crippa, Motaz Qadan, Giada Moser, Giulio Belfiori, Aldo Scarpa, Marco Schiavo-Lena, Fabio Casciani, Paola Mattiolo, Salvatore Paiella, Alessandro Esposito, Claudio Luchini, Cristina R Ferrone, Keith D Lillemoe, Carlos Fernández-Del Castillo, Massimo Falconi, Roberto Salvia
OBJECTIVE: To investigate whether revision of pancreatic neck margin based on intraoperative frozen section analysis has oncologic value in post-neoadjuvant pancreatoduodenectomy (PD) for pancreatic ductal adenocarcinoma (PDAC). SUMMARY BACKGROUND DATA: The role of intraoperative neck margin revision has been controversial, with little information specific to post-neoadjuvant PD. METHODS: Patients who underwent post-neoadjuvant PD (2013-2019) for conventional PDAC with frozen section analysis of neck margin at three academic institutions were included...
May 6, 2024: Annals of Surgery
https://read.qxmd.com/read/38708264/metal-organic-frameworks-for-cisplatin-delivery-to-cancer-cells-a-molecular-dynamics-simulation
#26
JOURNAL ARTICLE
Elham Mashayekh, Zahra Nouri Khajeh Ghiasi, Iman Bhia, Zohreh Arefi Khorrami, Omid Malekahmadi, Mohammed Bhia, Samira Malekmohammadi, Yavuz Nuri Ertas
Metal-organic frameworks (MOFs) are utilized as nanocarriers to enhance the efficiency of chemotherapy drugs, including cisplatin, which exhibit limitations such as side effects and resistance mechanisms. To evaluate the role of MOFs, we employed a molecular dynamics simulation, which, unlike other experiments, is cost-effective, less dangerous, and provides accurate results. Furthermore, we conducted molecular docking simulations to understand the interaction between cisplatin and MOF, as well as their internal interactions and how they bind to each other...
April 30, 2024: ACS Omega
https://read.qxmd.com/read/38708207/revisiting-the-potential-of-group-vi-inorganic-precatalysts-for-the-ethenolysis-of-fatty-acids-through-a-mechanochemical-approach
#27
JOURNAL ARTICLE
Niracha Tangyen, Wuttichai Natongchai, Silvano Del Gobbo, Valerio D'Elia
The utilization of biobased feedstocks to prepare useful compounds is a pivotal trend in current chemical research. Among a varied portfolio of naturally available starting materials, fatty acids are abundant, versatile substrates with multiple applications. In this context, the ethenolysis of unsaturated fatty acid esters such as methyl oleate is an atom-economical way to prepare functional C10 olefins with a biobased footprint. Despite the existence of a variety of metathesis catalysts for the latter process, there is a lack of readily available, efficient, and inexpensive catalytic systems based on earth-abundant metals (Mo, W) whose preparation does not require sophisticated syntheses and manipulations...
April 30, 2024: ACS Omega
https://read.qxmd.com/read/38707375/assessment-of-harvest-and-postharvest-losses-of-teff-eragrostistef-zucc-and-methods-of-loss-reduction-a-review
#28
REVIEW
Eniyew Eskezia Tiguh, Mulugeta Admasu Delele, Addisu Negash Ali, Geta Kidanemariam, Solomon Workineh Fenta
Teff [Eragrostistef (Zucc.)] is one of the most important cereal crops in Ethiopia which is part of the traditional dish of the people in the form of Injera. Interest in Teff has increased noticeably due to its very attractive nutritional profile and the gluten-free nature of the grain. It is a gluten-free cereal, among the major cereal crops, Teff accounts for the largest average annual acreage in the country. It also accounts for the second-largest average annual production, next to maize. The study endeavored to review the harvest and postharvest losses, the causes of these losses, and possible solutions to reduce the postharvest losses of the Teff crop in Ethiopia...
May 15, 2024: Heliyon
https://read.qxmd.com/read/38706763/is-social-media-our-new-quitline-a-descriptive-study-assessing-youtube-coverage-of-tobacco-cessation
#29
JOURNAL ARTICLE
Aysha Jawed, Anna Hogan
BACKGROUND: Tobacco use and exposure are leading causes of morbidity and mortality worldwide. In the past decade, educational efforts to reduce tobacco use and exposure have extended to social media, including video-sharing platforms. YouTube is one of the most publicly accessed video-sharing platforms. PURPOSE: This cross-sectional descriptive study was conducted to identify and describe sources, formats, and content of widely viewed YouTube videos on smoking cessation...
March 2024: Journal of Preventive Medicine and Hygiene
https://read.qxmd.com/read/38705254/endothelial-dysfunction-and-complement-activation-are-independently-associated-with-disease-duration-in-patients-with-systemic-vasculitis
#30
JOURNAL ARTICLE
Panagiotis Dolgyras, Panagiota Anyfanti, Antonios Lazaridis, Eleni Gavriilaki, Nikolaos Koletsos, Areti Triantafyllou, Nikolaidou Barbara, Konstantinos Mastrogiannis, Efi Yiannaki, Anna Papakonstantinou, Vasiliki Galanapoulou, Stella Douma, Eugenia Gkaliagkousi
OBJECTIVES: Systemic vasculitis is a heterogenous group of autoimmune diseases characterized by enhanced cardiovascular mortality. Endothelial dysfunction is associated with accelerated vascular damage, representing a core pathophysiologic mechanism contributing to excess CV risk. Recent studies have also shown that complement activation holds significant role in the pathogenesis of Anti-Neutrophilic Cytoplasmic Autoantibody (ANCA) -associated vasculitis (AAV). Given the potential crosstalk between the endothelium and complement, we aimed to assess, for the first time simultaneously, easily accessible biomarkers of endothelial dysfunction and complement activation in SV...
May 3, 2024: Microvascular Research
https://read.qxmd.com/read/38705009/patient-initiated-follow-up-in-gynaecology-patient-and-clinician-views
#31
JOURNAL ARTICLE
Mira Chainrai, Victoria F Kershaw, Thomas G Gray, Stephen C Radley
OBJECTIVES: Follow-up appointments in the UK National Health Service account for up to two thirds of outpatient activity, but there is a significant resource impact in providing time fixed follow-up appointments. Increasingly patient initiated follow-up is being used, to make follow-up appointments work better for patients both in terms of timing and necessity, and to reduce unnecessary outpatient activity. The objective of this study was to use a modified questionnaire to evaluate patient and clinician views regarding Patient-Initiated Follow-Up (PIFU) in gynaecology services and identify subgroups suited to this pathway of care...
May 2, 2024: European Journal of Obstetrics, Gynecology, and Reproductive Biology
https://read.qxmd.com/read/38703031/effect-of-sex-and-milk-replacer-with-or-without-supplemental-carnitine-and-arginine-on-growth-characteristics-carcass-and-meat-quality-of-artificially-reared-low-birth-weight-pigs
#32
JOURNAL ARTICLE
Johannes G Madsen, Michael Kreuzer, Paolo Silacci, Giuseppe Bee
This study compared milk replacer either remaining unsupplemented (CON) or supplemented with 0.5 g l-carnitine plus 16.7 g l-arginine/kg (CarArg) and fed to 48 L-BtW artificially reared piglets (24 per group) from day 7 to 28 days of age. Eight farrowing series were needed to complete the study. On day 28, the lightest piglets were slaughtered, and the heaviest pigs were weaned. The heaviest pigs were weaned on day 28 and offered free access to a starter (weaning to 25 kg body weight (BW)), grower (25-60 kg BW), and finisher diet (60 kg to 96 kg BW on day 170 of age)...
May 4, 2024: Journal of Animal Science
https://read.qxmd.com/read/38702653/consensus-based-recommendations-for-the-development-and-expansion-of-palliative-day-care-clinics-in-germany-results-of-a-delphi-study
#33
JOURNAL ARTICLE
Stephanie Stiel, Alexandra Ernst, Beate Apolinarski, Hanna A A Röwer, Lea de Jong, Birte Burger, Sabrina Schütte, Nils Schneider, Kathrin Damm, Jona T Stahmeyer, Franziska A Herbst
BACKGROUND: Needs-based, patient-oriented palliative care includes palliative day care clinics as a specialized semi-inpatient care offer. However, the establishment and development of these facilities has been unsystematic. Research is needed to strengthen their transparency and ensure their accessibility, quality, and structural adequacy. A national Delphi study was conducted to generate appropriate recommendations for the establishment and development of palliative day care clinics in Germany...
May 3, 2024: BMC Palliative Care
https://read.qxmd.com/read/38702046/the-cognitive-function-and-taekwondo-specific-kick-performance-of-taekwondo-athletes-at-different-hydration-statuses
#34
JOURNAL ARTICLE
Ai-Chi Zheng, Cheng-Shiun He, Chi-Cheng Lu, Bao-Lien Hung, Kuei-Ming Chou, Shih-Hua Fang
PURPOSE: Successful participation in taekwondo (TKD) requires athletes to possess quick decision-making abilities and demonstrate technical proficiency during competition. Dehydration, occurring during both training and competition, is widely recognized to have various negative effects. METHODS: This study investigated the impact of different levels of dehydration on cognitive function, as measured by the Vienna Test System, and the specific performance of kicking techniques among TKD athletes...
May 2, 2024: International Journal of Sports Physiology and Performance
https://read.qxmd.com/read/38700502/koori-quit-pack-a-feasibility-study-of-a-multi-component-mailout-smoking-cessation-support-for-aboriginal-and-torres-strait-islander-people-i-would-recommend-it-to-anybody-it-s-just-so-much-easier
#35
JOURNAL ARTICLE
Michelle Kennedy, Raglan Maddox, Amanual Getnet Mersha, Catherine Chamberlain, Catherine Segan, Kerindy Clarke, Belinda Donaldson, Kayden Roberts Barker, Joley Forster, Kade Booth, Billie Bonevski
INTRODUCTION: Smoking is the leading cause of preventable death among Aboriginal and Torres Strait Islander people. The Koori1 Quit Pack study aimed to assess the feasibility of a multi-component mailout smoking cessation intervention to reduce smoking among Aboriginal and Torres Strait Islander people. METHODS: A non-randomised, single-group feasibility study conducted among Aboriginal and Torres Strait Islander people who reported current smoking. The intervention package included information pamphlets and resources on quitting, referral offer to Aboriginal Quitline and optional free Nicotine Replacement Therapies (NRT)...
May 3, 2024: Nicotine & Tobacco Research
https://read.qxmd.com/read/38700233/high-volumetric-energy-density-supercapacitor-of-additive-free-quantum-dot-hierarchical-nanopore-structure
#36
JOURNAL ARTICLE
Muhammad Alief Irham, Ricky Dwi Septianto, Retno Dwi Wulandari, Yutaka Majima, Ferry Iskandar, Yoshihiro Iwasa, Satria Zulkarnaen Bisri
The high surface-area-to-volume ratio of colloidal quantum dots (QDs) positions them as promising materials for high-performance supercapacitor electrodes. However, the challenge lies in achieving a highly accessible surface area, while maintaining good electrical conductivity. An efficient supercapacitor demands a dense yet highly porous structure that facilitates efficient ion-surface interactions and supports fast charge mobility. Here we demonstrate the successful development of additive-free ultrahigh energy density electric double-layer capacitors based on quantum dot hierarchical nanopore (QDHN) structures...
May 3, 2024: ACS Applied Materials & Interfaces
https://read.qxmd.com/read/38699887/evaluating-changes-in-functioning-and-psychological-distress-in-visitors-of-the-ease-youth-mental-health-walk-in-centres
#37
JOURNAL ARTICLE
Anouk Boonstra, Therese A M J van Amelsvoort, Rianne M C Klaassen, Arne Popma, Nina H Grootendorst-van Mil, Wim Veling, Remco F P de Winter, Nynke Boonstra, Sophie M J Leijdesdorff
BACKGROUND: Highly accessible youth initiatives worldwide aim to prevent worsening of mental health problems, but research into outcomes over time is scarce. AIMS: This study aimed to evaluate outcomes and support use in 12- to 15-year-old visitors of the @ease mental health walk-in centres, a Dutch initiative offering free counselling by trained and supervised peers. METHOD: Data of 754 visitors, collected 2018-2022, included psychological distress (Clinical Outcomes in Routine Evaluation 10 (CORE-10)), social and occupational functioning (Social and Occupational Functioning Assessment Scale (SOFAS)), school absenteeism and support use, analysed with change indicators (first to last visit), and mixed models (first three visits)...
May 3, 2024: BJPsych Open
https://read.qxmd.com/read/38699820/%C3%A3-phenethylamine-synthesis-via-latent-dual-electrophilicity-of-n-pyridinium-aziridines
#38
JOURNAL ARTICLE
Samya Samanta, Promita Biswas, Braeden O'Bannon, David C Powers
ß-Phenethylamines are widely represented in biologically and pharmacologically active organic small molecules. Here, we introduce N-pyridinium aziridines as latent dual electrophiles for the synthesis of ß-phenethylamines. Bromide-promoted ring opening generates ß-halopyridinium amines. Selective Ni-catalyzed C-C cross-coupling between organozinc nucleophiles and the benzylic C-Br electrophile affords a diverse family of ß-functionalized phenethylaminopyridinium salts, and coupling is stereoconvergent in the presence of chiral ligands...
May 3, 2024: Angewandte Chemie
https://read.qxmd.com/read/38699812/synthesis-of-fused-1-2-3-triazoloheteroarenes-via-intramolecular-azo-annulation-of-n-tosylhydrazones-catalyzed-by-1-8-diaza-bicyclo-5-4-0-undec-7-ene
#39
JOURNAL ARTICLE
Orume J Edirin, Jesse D Carrick
The structural diversity of triazoloheteroarenes render this moiety an attractive synthon for drug discovery, C-H functionalization, and complexant design for minor actinide separations. While contemporary work has demonstrated the capacity to leverage downstream functional group interconversion of the triazolopyridine, a broadly applicable method tolerant of diverse heteroaryl constructs and pendant functionality to obtain triazoloheteroarenes remains under reported. In this work, the serendipitous discovery of a metal, azide, and oxidant free transformation of various heteroaryl N -tosylhydrazones of carbaldehydes and ketones to the corresponding [1,2,3]-triazoloheteroarene via intramolecular azo annulation using a substoichiometric amount of 1,8-diaza-bicyclo[5...
May 3, 2024: Journal of Organic Chemistry
https://read.qxmd.com/read/38699112/early-exposure-to-orthopaedic-surgery
#40
JOURNAL ARTICLE
Jhillika Patel, Divya Anand, Chandravathi Sayani, Alyanna Tam, Anna Green, Brian M Katt
INTRODUCTION: Disparities in early orthopaedic experiences among medical students prompt a critical examination of factors influencing the availability and nature of these exposures. While the current body of literature underscores the significance of early surgical exposure and mentorship in medical education, a notable gap exists in investigating early orthopaedic exposure and its specific impact on students from diverse backgrounds. METHODS: A 16-item questionnaire, approved by our institutional review board, was administered to fourth-year medical students (MS4) and first-year orthopaedic residents (PGY-1) across U...
April 2024: Curēus
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