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https://www.readbyqxmd.com/read/29055276/nonadiabatic-dynamics-simulation-of-photoisomerization-mechanism-of-the-second-stablest-isomer-of-n-salicilydenemethylfurylamine
#1
Aihua Gao, Jianpeng Li, Dehua Wang, Xiaoguang Ma, Meishan Wang
The photoisomerization processes of the second stablest isomer in the aromatic Schiff base, N-salicilydenemethylfurylamine, in the gas phase have been studied by static electronic structure calculations and surface-hopping dynamics simulations based on the Zhu-Nakamura theory. Various stable structures are obtained in the optimization because of different orientations of methyl-furyl part with respect to the salicylaldimine part and different orientations of hydroxy group with respect to the benzene ring. Upon photoexcitation into the first excited state, bond isomerization in the salicylaldimine part is completely suppressed until the strong excited-state hydrogen bond is broken...
October 14, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29055239/computed-tomography-detection-of-stapled-interlobar-fissure-facilitates-diagnosing-postoperative-lobar-torsion-a-case-report
#2
Takahiro Yanagihara, Hideo Ichimura, Keisuke Kobayashi, Yukio Sato
INTRODUCTION: Atelectasis of the right middle lobe following right upper lobectomy may result from lobar torsion, bronchial kink, or impacted mucus plug. Although clinical consequence of lobar torsion could be serious, differentiating it from bronchial kink is occasionally challenging. PRESENTATION OF CASE: A 39-year old man with non-small cell lung cancer of cT1aN0M0 stage IA underwent right upper lobectomy. On postoperative day 1, we identified middle lobe atelectasis on the chest X-ray and performed bronchoscopy, which showed an obstruction of the right middle lobe bronchus without mucoid impaction...
October 16, 2017: International Journal of Surgery Case Reports
https://www.readbyqxmd.com/read/29055186/designed-inhibitors-with-hetero-linkers-for-gastric-proton-pump-h-k-atpase-steered-molecular-dynamics-and-metadynamics-studies
#3
Kalyanashis Jana, Tusar Bandyopadhyay, Bishwajit Ganguly
Acid suppressant SCH28080 and its derivatives reversibly reduce acid secretion activity of the H(+),K(+)-ATPase in a K(+) competitive manner. The results on homologation of the SCH28080 by varying the linker chain length suggested the improvement in efficacy. However, the pharmacokinetic studies reveal that the hydrophobic nature of the CH2 linker units may not help it to function as a better acid suppressant. We have exploited the role of linker unit to enhance the efficacy of such reversible acid suppressant drug molecules using hetero linker, i...
October 12, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29055179/nigella-sativa-oil-protects-the-rat-ovary-from-oxidative-injury-due-to-ischemia-reperfusion
#4
Melahat Atasever, Zeyneb Bakacak
BACKGROUND The aim of this study was to evaluate the effects of Nigella sativa (N. sativa) oil (NSO) on ovarian oxidative damage following ischemia-reperfusion injury, using a rat model of ovarian torsion. MATERIAL AND METHODS Forty-eight female albino Wistar rats were divided into six groups: (Group 1) laparotomy only; (Group 2) intraperitoneal NSO (2 ml/kg), 1 hour following laparotomy; (Group 3) 3 hours of ovarian ischemia; (Group 4) 3 hours of ovarian ischemia followed by 3 hours of reperfusion; (Group 5) 3 hours of ovarian ischemia and 2 ml/kg of NSO 1 hour before laparotomy; (Group 6) 3 hours of reperfusion after 3 hours of ovarian ischemia and 2 ml/mg of NSO 1 hour before laparotomy...
October 21, 2017: Medical Science Monitor: International Medical Journal of Experimental and Clinical Research
https://www.readbyqxmd.com/read/29054235/acquired-cor-triatriatum-sinister-after-the-fontan-operation-and-successful-resection-in-a-child
#5
S Javed Zaidi, Rishi R Adhikari, Chawki El-Zein, Saad Siddiqui
Cor triatriatum sinister is a rare congenital lesion encountered in children. It consists of a fibromuscular membrane that separates the left atrium into two chambers resulting in a triatrial heart and often occurs with other structural cardiac anomalies. The acquired form is uncommon and has only been reported after orthotopic heart transplantation or as a complication of infective endocarditis in adults. These cases were mostly because of hypertrophied atrial tissue or suture lines and torsion of the atrium...
November 2017: Annals of Thoracic Surgery
https://www.readbyqxmd.com/read/29054160/3d-geometric-morphometrics-of-thorax-variation-and-allometry-in-hominoidea
#6
Markus Bastir, Daniel García-Martínez, Scott A Williams, Wolfgang Recheis, Isabel Torres-Sánchez, Francisco García Río, Motoharu Oishi, Naomichi Ogihara
Ever since the seminal papers of Keith and Schultz, hominoid primate ribcages have been described as either "funnel-" or "barrel-shaped." Following this dichotomic typology, it is currently held that Homo sapiens and hylobatids (gibbons and siamangs) share a barrel-shaped ribcage and that they are more similar to each other than to the funnel-shaped thoraces of great apes (Gorilla, Pan, and Pongo). Other researchers hypothesized that thoracic width and the invagination of the thoracic spine into the thorax are related to allometry...
December 2017: Journal of Human Evolution
https://www.readbyqxmd.com/read/29053766/tor1a-variants-cause-a-severe-arthrogryposis-with-developmental-delay-strabismus-and-tremor
#7
Ariana Kariminejad, Martin Dahl-Halvarsson, Gianina Ravenscroft, Fariba Afroozan, Elham Keshavarz, Hayley Goullée, Mark R Davis, Mehrshid Faraji Zonooz, Hossein Najmabadi, Nigel G Laing, Homa Tajsharghi
Autosomal dominant torsion dystonia-1 is a disease with incomplete penetrance most often caused by an in-frame GAG deletion (p.Glu303del) in the endoplasmic reticulum luminal protein torsinA encoded by TOR1A. We report an association of the homozygous dominant disease-causing TOR1A p.Glu303del mutation, and a novel homozygous missense variant (p.Gly318Ser) with a severe arthrogryposis phenotype with developmental delay, strabismus and tremor in three unrelated Iranian families. All parents who were carriers of the TOR1A variant showed no evidence of neurological symptoms or signs, indicating decreased penetrance similar to families with autosomal dominant torsion dystonia-1...
September 23, 2017: Brain: a Journal of Neurology
https://www.readbyqxmd.com/read/29053272/cardiotoxins-functional-role-of-local-conformational-changes
#8
Anastasia G Konshina, Nikolay A Krylov, Roman G Efremov
Cardiotoxins (CTs) from snake venoms are a family of homologous highly basic proteins that have extended hydrophobic patterns on their molecular surfaces. CTs are folded into three β-structured loops stabilized by four disulfide bridges. Being well-structured in aqueous solution, most of these proteins are membrane-active, although the exact molecular mechanisms of CT-induced cell damage are still poorly understood. To elucidate the structure-function relationships in CTs, a detailed knowledge of their spatial organization and local conformational dynamics is required...
October 20, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/29052346/single-incision-laparoscopic-cholecystectomy-for-gallbladder-torsion-a-case-report-and-literature-review
#9
Keiso Matsubara, Takashi Urushihara, Akihiko Oshita, Toshiyuki Itamoto
We present a case of preoperatively diagnosed gallbladder torsion (GT) that was successfully treated by single-incision laparoscopic cholecystectomy. An 80-year-old woman presented with sudden pain and a palpable mass in the right upper quadrant. Contrast-enhanced CT revealed ischemic changes, a swollen gallbladder with a V-shaped distortion of the extrahepatic ducts, and the gallbladder in an abnormal anatomical position; clinical findings indicated GT. We performed single-incision laparoscopic cholecystectomy and intraoperatively found that the floating gallbladder was twisted counterclockwise by 180° around the cystic duct...
October 19, 2017: Asian Journal of Endoscopic Surgery
https://www.readbyqxmd.com/read/29051519/from-porous-to-dense-nanostructured-%C3%AE-ti-alloys-through-high-pressure-torsion
#10
Conrado R M Afonso, Angelica Amigó, Vladimir Stolyarov, Dmitri Gunderov, Vicente Amigó
β-Ti alloys have low elastic modulus, good specific strength and high corrosion resistance for biomaterial applications. Noble elements, such as Nb, Ta and Mo, are used to obtain β-Ti due to their chemical biocompatibility. However, due to their refractory nature, β-Ti requires specific processing routes. Powder metallurgy (P/M) allows for the development of new β-Ti alloys with decreasing costs, but dealing with high-elemental-content alloys can lead to a lack of diffusion and grain growth. One method to refine the structure and improve mechanical properties is a severe plastic deformation technique through high-pressure torsion (HPT)...
October 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29051313/anaemia-in-pet-rabbits-causes-severity-and-reticulocyte-response
#11
Alexandra Dettweiler, Robert Klopfleisch, Kerstin Müller
The objective of the study was to determine the causes and the severity of anaemia in pet rabbits (Oryctolagus cuniculus), to classify anaemia and to compare the reticulocyte counts from healthy and anaemic rabbits. Over a time period of 11 years (2000-2011) a retrospective and prospective study of 223 pet rabbits was performed. Based on the clinic's own reference range for healthy pet rabbits (packed cell volume [PCV] levels 0.33-0.45 l/l), animals with a PCV level below 0.33 l/l were considered anaemic...
October 19, 2017: Veterinary Record
https://www.readbyqxmd.com/read/29047605/chiral-long-period-gratings-fabrication-highly-sensitive-torsion-sensing-and-tunable-single-band-filtering
#12
Xudong Kong, Kaili Ren, Liyong Ren, Jian Liang, Haijuan Ju
A promising technology for fabricating chiral long-period gratings (CLPGs) is demonstrated using a commercial fusion splicer. The key aspect of this technology is the incorporation of a fully automatic program we designed for the fusion splicer. High-quality CLPGs are successfully fabricated from single-mode fibers, which have very flat surfaces and low insertion loss. We also investigate the tuning characteristics of the transmission spectrum with the mechanical twist rate in CLPGs for torsion sensing application...
June 1, 2017: Applied Optics
https://www.readbyqxmd.com/read/29047568/characteristics-of-chiral-long-period-fiber-gratings-written-in-the-twisted-two-mode-fiber-by-co2-laser
#13
Xibiao Cao, Yunqi Liu, Liang Zhang, Yunhe Zhao, Tingyun Wang
We demonstrated the fabrication of a chiral long-period grating (CLPG) by twisting a two-mode fiber (TMF) when a CO2 laser beam was sweeping along the fiber axis. The torsion, temperature, and surrounding refractive index characteristics of the fabricated TMF-CLPG were investigated experimentally. The fabricated TMF-CLPG has a high torsion sensitivity [0.7768 nm/(rad/m)], and can measure the twist rate and twist direction simultaneously. This kind of CLPG would have great potential applications in high-sensitivity optical sensors...
June 20, 2017: Applied Optics
https://www.readbyqxmd.com/read/29046723/etiological-factors-in-hallux-valgus-a-three-dimensional-analysis-of-the-first-metatarsal
#14
Tomohiko Ota, Takeo Nagura, Tetsuro Kokubo, Masateru Kitashiro, Naomichi Ogihara, Kenichiro Takeshima, Hiroyuki Seki, Yasunori Suda, Morio Matsumoto, Masaya Nakamura
BACKGROUND: It has been reported that hallux valgus (HV) is associated with axial rotation of the first metatarsal (1MT). However, the association between HV and torsion of the 1MT head with respect to the base has not been previously investigated. The present study examined whether there was a significant difference in 1MT torsion between HV and control groups. METHODS: Three-dimensional (3D) computed tomography (CT) scans of 39 ft were obtained, and 3D surface models of the 1MT were generated to quantify the torsion of the head with respect to the base...
2017: Journal of Foot and Ankle Research
https://www.readbyqxmd.com/read/29045835/a-role-for-dystonia-associated-genes-in-spinal-gabaergic-interneuron-circuitry
#15
Juliet Zhang, Jarret A P Weinrich, Jeffrey B Russ, John D Comer, Praveen K Bommareddy, Richard J DiCasoli, Christopher V E Wright, Yuqing Li, Peter J van Roessel, Julia A Kaltschmidt
Spinal interneurons are critical modulators of motor circuit function. In the dorsal spinal cord, a set of interneurons called GABApre presynaptically inhibits proprioceptive sensory afferent terminals, thus negatively regulating sensory-motor signaling. Although deficits in presynaptic inhibition have been inferred in human motor diseases, including dystonia, it remains unclear whether GABApre circuit components are altered in these conditions. Here, we use developmental timing to show that GABApre neurons are a late Ptf1a-expressing subclass and localize to the intermediate spinal cord...
October 17, 2017: Cell Reports
https://www.readbyqxmd.com/read/29044898/use-of-computed-tomography-and-minimum-intensity-projection-in-the-detection-of-lobar-pneumonia-mimicking-lung-lobe-torsion-in-a-dog
#16
Sang-Kwon Lee, Kyoung-Oh Cho, Mia Madel Alfajaro, Juhwan Lee, Dohyeon Yu, Jihye Choi
A 10-year-old female spayed Dachshund was referred with progressive coughing for 1 month. The dog was tentatively diagnosed with right middle lung torsion based on pleural effusion, vesicular emphysema, abruptly ending bronchus in consolidated right middle lung, and no contrast enhancement of the affected lobe on radiography and computed tomography (CT). There was no evidence of torsion upon thoracotomy, and histological examination confirmed lobar pneumonia. The CT images were reevaluated using minimum intensity projection and revealed normal bronchial courses...
October 16, 2017: Veterinary Radiology & Ultrasound
https://www.readbyqxmd.com/read/29043324/privileged-hydration-sites-in-aromatic-side-chains-effect-on-conformational-equilibrium
#17
Belén Hernández, Fernando Pflüger, Manuel Dauchez, Mahmoud Ghomi
Water interaction with peptide chains is one of the key structure stabilizing factors in an aqueous environment. Because of its strong polar character, water can bind to both anionic and cationic sites via electrostatic interactions. It can also act as a hydrogen-bond donor or acceptor according to its interactions with different polar groups in the backbone and side chains of peptides and proteins. Based on density functional theory calculations, the present report aims at illustrating the most energetically favorable interaction sites of aromatic side chains of phenylalanine, tyrosine, tryptophan, and histidine (neutral and protonated species) with surrounding water molecules...
October 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29041399/dynamic-fiber-delivery-of-3-w-160-fs-pulses-with-photonic-crystal-hollow-core-fiber-patchcord
#18
Bojan Resan, Raffael Auchli, Vesna Villamaina, Ronald Holtz
We report output characteristics of a connectorized hollow core photonics crystal fiber when it is subjected to coiling down to a 50 mm radius, bending, and torsion. We achieved coupling efficiency up to 73% with an output average power of 2 W and 24 nJ pulse energy. With optimized coupling, depolarization was as low as 7%. Coiling and bending of the photonic crystal patchcord introduces little distortion; torsion, however, changes the polarization drastically. To our knowledge, this is the first report on dynamic fiber delivery of fs pulses...
October 2, 2017: Optics Express
https://www.readbyqxmd.com/read/29038776/torsion-of-an-accessory-hepatic-lobe-with-embedded-gallbladder-in-an-11-month-old-boy
#19
Chiman Lal Thakral, Ganji Shivalingam, Faizan Manzoor Dar, Nimish Thakral
An accessory lobe of the liver is a rare entity in clinical practice which is diagnosed incidentally. Infrequently, it may present as torsion with a clinical picture of an acute abdomen, a palpable mass, and may be associated with liver function abnormalities. Many of these patients have a history of previous surgery for congenital abdominal wall defects such as omphalocele. We present an extremely rare case of torsion of an accessory hepatic lobe in an 11-month-old male patient who presented in a state of shock...
January 2017: European Journal of Pediatric Surgery Reports
https://www.readbyqxmd.com/read/29038727/left-ventricular-torsional-parameters-before-and-after-atrial-fibrillation-ablation-a-velocity-vector-imaging-study
#20
Zahra Ojaghi-Haghighi, Bahram Mohebbi, Hasan Moladoust, Majid Haghjoo, Azin Alizadehasl, Maryam Esmaeilzadeh, Sevil Aghapour, Hooman Bakhshandeh, Maryam Ardeshiri, Masoumeh Hamidian
BACKGROUND AND AIM: Effects of atrial fibrillation (AF) and its ablative treatment on LV torsion have not yet been fully investigated. This study aimed to examine whether AF patterns of LV contraction and its ablative correction can exert a significant impact on LV torsion by velocity vector imaging (VVI). METHODS: This case-control study conducted in Rajaie Cardiovascular, Medical and Research Center between October 2012 and June 2013. Study participants were 30 consecutive patients with symptomatic paroxysmal AF who met the inclusion criteria...
September 2017: Electronic Physician
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