keyword
MENU ▼
Read by QxMD icon Read
search

Td

keyword
https://www.readbyqxmd.com/read/29454253/charge-transfer-complex-between-2-3-diaminopyridine-with-chloranilic-acid-synthesis-characterization-and-dft-td-dft-computational-studies
#1
Khairia M Al-Ahmary, Moustafa M Habeeb, Areej H Al-Obidan
New charge transfer complex (CTC) between the electron donor 2,3-diaminopyridine (DAP) with the electron acceptor chloranilic (CLA) acid has been synthesized and characterized experimentally and theoretically using a variety of physicochemical techniques. The experimental work included the use of elemental analysis, UV-vis, IR and 1 H NMR studies to characterize the complex. Electronic spectra have been carried out in different hydrogen bonded solvents, methanol (MeOH), acetonitrile (AN) and 1:1 mixture from AN-MeOH...
February 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29453141/dft-td-dft-calculations-spectroscopic-characterizations-ftir-nmr-uv-vis-molecular-docking-and-enzyme-inhibition-study-of-7-benzoyloxycoumarin
#2
Mahboob Alam, Mohammad Jane Alam, Shaista Azaz, Mehtab Parveen, Soonheum Park, Shabbir Ahmad
The quantum chemical study, spectroscopic characterization and biological activity of the pharmaceutically active 7-benzoyloxycoumarin (2) molecule have been presented. Potential energy surface (PES) scanning has been performed to search for the most stable molecular geometry of the present compound. The stable geometry in the ground state, IR, UV-Vis absorption and NMR ( 13 C, 1 H) spectra of the title compound were theoretically obtained and compared with the experimental one. Various theoretical molecular parameters like molecular energy, atomic charges, dipole moment, thermodynamic parameters, donor-acceptor natural bond orbital (NBO) hyperconjugative interaction energies, frontier molecular orbitals energies, HOMO-LUMO gap, molecular electrostatic potential, chemical reactivity descriptors, molecular polarizability and non-linear optical (NLO) properties are presented...
February 8, 2018: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/29452883/thiocarbonyl-bound-metallonitrosyl-complexes-with-visible-light-induced-dna-cleavage-and-promising-vasodilation-activity
#3
Carlos D S Silva, Iury A Paz, Felipe D Abreu, Aurideia P de Sousa, Carla P Veríssimo, Nilberto R F Nascimento, Tércio F Paulo, Davila Zampieri, Marcos N Eberlin, Ana C S Gondim, Loraine C Andrade, Idalina M M Carvalho, Eduardo H S Sousa, Luiz G F Lopes
Nitric oxide has been involved in many key biological processes such as vasodilation, platelet aggregation, apoptosis, memory function, and this has drawn attention to the development of exogenous NO donors. Metallonitrosyl complexes are an important class of these compounds. Here, two new ruthenium nitrosyl complexes containing a thiocarbonyl ligand, with the formula cis-[Ru(phen) 2 (L)(NO)](PF 6 ) 3 (phen = phenantroline, L = thiourea or thiobenzamide), were synthesized and characterized by electronic spectroscopy, FTIR, NMR , mass spectrometry and voltammetric techniques...
February 9, 2018: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/29451649/the-effects-of-different-restorative-materials-on-periodontopathogens-in-combined-restorative-periodontal-treatment
#4
Sila Çagri Isler, Gonen Ozcan, Gülcin Akca, Zahide Kocabas
Objective The aim of the study was to evaluate the association between subgingival restorations and the target periodontopathogenic bacteria (Pg, Td and Pi) in subgingival biofilm during one year after combined restorative-periodontal treatment. Material and Methods Seventeen systemically healthy subjects, who were positive for the presence of three cervical lesions associated with gingival recessions in three different adjacent teeth, were included in the study. A total of 51 combined defects were treated with connective tissue graft plus a nanofilled composite resin (NCR+CTG), a resin-modified glass ionemer cement (RMGI+CTG) and a fluoride-releasing resin material with pre-reacted glass (PRG), called giomer (Giomer+CTG)...
2018: Journal of Applied Oral Science: Revista FOB
https://www.readbyqxmd.com/read/29451224/hypogonadism-in-male-thalassemia-major-patients-pathophysiology-diagnosis-and-treatment
#5
Vincenzo De Sanctis, Ashraf T Soliman, Mohamed A Yassin, Salvatore Di Maio, Shahina Daar, Heba Elsedfy, Nada Soliman, Christos Kattamis
Failure of pubertal growth, delay or absence of sexual development, infertility and sexual dysfunction due to hypogonadism and defective spermatogenesis are frequent and well recognized disturbances among male patients with transfusion dependent (TD) thalassaemia major (β-thal). These problems are attributed mainly to the damage caused by chronic anaemia and the deposition of excess iron in the pituitary gland and testicles. This is a short review of male pubertal disorders in patients with β-thal written by pediatric endocrinologists and haematologists with an interest and active involvement, in the diagnosis and management of these complications in this group of patients...
February 16, 2018: Acta Bio-medica: Atenei Parmensis
https://www.readbyqxmd.com/read/29450651/who-will-remain-tremor-dominant-the-possible-role-of-cognitive-reserve-in-the-time-course-of-two-common-parkinson-s-disease-motor-subtypes
#6
Talia Herman, S Shema-Shiratzky, L Arie, N Giladi, J M Hausdorff
In a prospective 5-year study among Parkinson's disease (PD) tremor-dominant (TD) patients, we investigated who will remain TD and who will later convert into the postural instability gait difficulty (PIGD) phenotype. At follow-up, 38% were still considered TD. At baseline the TD non-convertors had more years of education and better cognitive function than the convertors and significantly smaller deterioration in gait, balance, cognitive function and other non-motor symptoms. These results highlight the potential role of cognition in protecting against the development of PIGD symptoms...
February 15, 2018: Journal of Neural Transmission
https://www.readbyqxmd.com/read/29450616/early-motor-signs-of-autism-spectrum-disorder-in-spontaneous-position-and-movement-of-the-head
#7
Hirotaka Gima, Hideki Kihara, Hama Watanabe, Hisako Nakano, Junji Nakano, Yukuo Konishi, Tomohiko Nakamura, Gentaro Taga
We examined the characteristics of spontaneous movements at 9-20 weeks postterm age in very low birth-weight infants who later developed autism spectrum disorder (ASD). We analyzed video recordings of spontaneous movements of 39 children who had no clinical issues [typically developing (TD) group], 21 children who showed developmental delay, and 14 children who were diagnosed with ASD (ASD group) at 6 years of age. Head position in each video frame was classified by visual inspection. The percentage of midline head position (PMHP) and number of changes in head position were calculated...
February 15, 2018: Experimental Brain Research. Experimentelle Hirnforschung. Expérimentation Cérébrale
https://www.readbyqxmd.com/read/29447670/rapid-screening-of-basic-colorants-in-processed-vegetables-through-mass-spectrometry-using-an-interchangeable-thermal-desorption-electrospray-ionization-source
#8
Yu-Ying Chao, Yen-Ling Chen, Hong-Yi Lin, Yeou-Lih Huang
Thermal desorption electrospray ionization/mass spectrometry (TD-ESI-MS) employing a quickly interchangeable ionization source is a relatively new ambient ionization mass spectrometric technique that has had, to date, only a limited number of applications related to food safety control. With reallocation of resources, this direct-analysis technique has had wider use in food analysis when operated in dual-working mode (pretreatment-free qualitative screening and conventional quantitative confirmation) after switching to an ambient ionization source from a traditional atmospheric pressure ionization source...
June 20, 2018: Analytica Chimica Acta
https://www.readbyqxmd.com/read/29446838/the-effect-of-pyrazolyl-substituents-on-the-photophysical-and-photochemical-properties-of-pyrazine-derivatives
#9
Nancy Pizarro, Gaspar Prado, Marianela Saldías, Catalina Sandoval-Altamirano, Andrés Vega
The reaction of 2,5-dibromopyrazine with N-Lithium pyrazolate in a 1:2 ratio leads to a mixture of 2-bromo-5-(1H-pyrazol-1-yl)pyrazine (I) and 2,5-di(1H-pyrazol-1-yl)pyrazine (II). The structures of I and II are highly planar. Two absorption bands can be observed for the compounds in the UV-Vis region, having ε in the order of 10 4 M -1 cm -1 . TD-DFT computed results support the nature of the lower energy absorptions as π pyrazine →π* pyrazine transitions, including an additional intraligand charge transfer transition for I (π pyrazol →π* pyrazine )...
February 15, 2018: Photochemistry and Photobiology
https://www.readbyqxmd.com/read/29445330/non-neural-muscle-weakness-has-limited-influence-on-complexity-of-motor-control-during-gait
#10
Marije Goudriaan, Benjamin R Shuman, Katherine M Steele, Marleen Van den Hauwe, Nathalie Goemans, Guy Molenaers, Kaat Desloovere
Cerebral palsy (CP) and Duchenne muscular dystrophy (DMD) are neuromuscular disorders characterized by muscle weakness. Weakness in CP has neural and non-neural components, whereas in DMD, weakness can be considered as a predominantly non-neural problem. Despite the different underlying causes, weakness is a constraint for the central nervous system when controlling gait. CP demonstrates decreased complexity of motor control during gait from muscle synergy analysis, which is reflected by a higher total variance accounted for by one synergy (tVAF 1 )...
2018: Frontiers in Human Neuroscience
https://www.readbyqxmd.com/read/29445194/spatially-explicit-valuation-of-coastal-wetlands-for-cyclone-mitigation-in-australia-and-china
#11
Xiaoguang Ouyang, Shing Yip Lee, Rod M Connolly, Martin J Kainz
Coastal wetlands are increasingly recognised for their pivotal role in mitigating the growing threats from cyclones (including hurricanes) in a changing climate. There is, however, insufficient information about the economic value of coastal wetlands for cyclone mitigation, particularly at regional scales. Analysis of data from 1990-2012 shows that the variation of cyclone frequencies is related to EI Niño strength in the Pacific Ocean adjacent to Australia, but not China. Among the cyclones hitting the two countries, there are significant relationships between the ratio of total economic damage to gross domestic production (TD/GDP) and wetland area within cyclone swaths in Australia, and wetland area plus minimum cyclone pressure despite a weak relationship in China...
February 14, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29444408/simple-models-for-difficult-electronic-excitations
#12
Giuseppe M J Barca, Andrew T B Gilbert, Peter M W Gill
We present a single-determinant approach to three challenging topics in the chemistry of excited states: double excitations, charge-transfer states and conical intersections. The results are obtained by using the Initial Maximum Overlap Method (IMOM) which is a modified version of the Maximum Overlap Method (MOM). The new algorithm converges better than the original, especially for these difficult problems. By considering several case studies, we show that a single-determinant framework provides a simple and accurate alternative for modelling excited states in cases where other low-cost methods, such as CIS and TD-DFT, either perform poorly or fail completely...
February 14, 2018: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29442657/preparation-of-poly-d-l-lactic-co-glycolic-acid-nanoparticles-through-solvent-displacement-and-structural-evaluation-using-time-domain-nuclear-magnetic-resonance
#13
Marina Rodrigues Tavares, Lívia Rodrigues de Menezes, Michelle Alvares Sarcinelli, Maria Inês Bruno Tavares
The present study obtained coated poly(lactic-co-glycolic acid) nanoparticles using the solvent displacement method aiming to evaluate the effect of the polymer concentration in the pharmaceutical formulations' and polymer properties. Nanosuspensions were evaluated by fourier-transform infrared spectroscopy (FTIR), dynamic light scattering (DLS), zeta potential (ZP), thermogravimetric analysis (TGA), X-ray diffraction (XRD) and time-domain nuclear magnetic resonance (TD-NMR). Uniform nanoparticles could be obtained using this method and higher polymer concentrations led to an increase in particle size and negatively charged surfaces were observed...
July 1, 2018: Journal of Nanoscience and Nanotechnology
https://www.readbyqxmd.com/read/29440074/the-effects-of-doctoral-teaching-development-on-early-career-stem-scholars-college-teaching-self-efficacy
#14
Mark R Connolly, You-Geon Lee, Julia N Savoy
To help prepare future faculty in science, technology, engineering, and mathematics (STEM) to teach undergraduates, more research universities are offering teaching development (TD) programs to doctoral students who aspire to academic careers. Using social cognitive career theory, we examine the effects of TD programs on early-career STEM scholars' sense of self-efficacy as postsecondary teachers. In 2011, a survey questionnaire was administered to 2156 people who in 2009 were doctoral students in STEM departments at three U...
2018: CBE Life Sciences Education
https://www.readbyqxmd.com/read/29439776/clinical-risk-factors-for-the-development-of-tardive-dyskinesia
#15
REVIEW
Marco Solmi, Giorgio Pigato, John M Kane, Christoph U Correll
BACKGROUND: Tardive dyskinesia (TD) is a severe condition that can affect almost 1 out of 4 patients on current or previous antipsychotic treatment, including both first-generation antipsychotics (FGAs) and second-generation antipsychotics (SGAs). While two novel vesicular monoamine transporter inhibitors, deutetrabenazine and valbenazine, have shown acute efficacy for TD, the majority of patients do not remit, and TD appears to recur once treatment is withdrawn. Hence, prevention of TD remains a crucial goal...
February 5, 2018: Journal of the Neurological Sciences
https://www.readbyqxmd.com/read/29438562/randomized-controlled-trial-of-the-safety-and-immunogenicity-of-revaccination-with-tetanus-diphtheria-acellular-pertussis-vaccine-tdap-in-adults-10-years-after-a-previous-dose
#16
Scott A Halperin, Catherine Donovan, Gary S Marshall, Vitali Pool, Michael D Decker, David R Johnson, David P Greenberg
Background: Reduced-antigen-content tetanus, diphtheria, and acellular pertussis (Tdap) vaccine is recommended in many countries for boosting immunity in adolescents and adults. Although immunity to these antigens wanes with time, currently available Tdap products are not labeled for repeat administration in the United States. Methods: We performed an observer-blinded, randomized controlled trial in 1330 adults aged 18 to <65 years who received either the Tdap (n = 1002) or tetanus-diphtheria (Td) (n = 328) vaccine 8 to 12 years after a dose of Tdap vaccine administered previously...
February 8, 2018: Journal of the Pediatric Infectious Diseases Society
https://www.readbyqxmd.com/read/29433810/the-nosology-of-tardive-syndromes
#17
Karen Frei, Daniel D Truong, Stanley Fahn, Joseph Jankovic, Robert A Hauser
Since the original description of side effects of neuroleptics, different terminologies and definitions for tardive dyskinesia (TD) and tardive syndrome (TS) have been used by different authors, and often these two terms have been used interchangeably. This paper proposes a nosology designed to define and clarify various terms and phenomenologies within the TS spectrum. We propose to use the term tardive dyskinesia to refer to the original description of repetitive and complex oral-buccal-lingual (OBL) movements, as well as to the analogous repetitive movements that can appear in the limbs, trunk, or pelvis...
February 6, 2018: Journal of the Neurological Sciences
https://www.readbyqxmd.com/read/29433809/future-directions-in-tardive-dyskinesia-research
#18
REVIEW
Jonathan M Meyer
Tardive dyskinesia (TD) research is at a crossroads because of renewed interest in this syndrome following the successful development and regulatory approval of two novel vesicular monoamine transport 2 (VMAT2) inhibitors. Despite these clinical advances, significant lacunae exist in the knowledge base of TD pathophysiology, prognosis, and epidemiology. Moreover, conflicting definitions of TD as either a syndrome that encompasses a broad array of related phenomena or as a specific subset of tardive syndromes are an impediment to both clinical and basic science research, and to educational efforts targeting nonspecialist clinicians...
February 5, 2018: Journal of the Neurological Sciences
https://www.readbyqxmd.com/read/29433808/vmat2-inhibitors-for-the-treatment-of-tardive-dyskinesia
#19
REVIEW
Laura M Scorr, Stewart A Factor
Tardive dyskinesia (TD) is an often disabling hyperkinetic movement disorder caused by exposure to dopamine receptor blocking agents. Although initially thought to most commonly occur with typical antipsychotics, the incidence is likely similar with atypical antipsychotics and antiemetics such as metoclopramide. Increased prescribing of these agents as well as low rates of remission have contributed to a rising prevalence of TD. Although this condition was described nearly 60 years ago, it is only within the past year that two novel therapeutic agents were FDA approved...
February 5, 2018: Journal of the Neurological Sciences
https://www.readbyqxmd.com/read/29431779/cyclometalated-n-heterocyclic-carbene-iridium-iii-complexes-with-naphthalimide-chromophores-a-novel-class-of-phosphorescent-heteroleptic-compounds
#20
Pierre-Henri Lanoë, Jonny Chan, Antoine Groué, Geoffrey Gontard, Anny Jutand, Marie-Noelle Rager, Nicola Armaroli, Filippo Monti, Andrea Barbieri, Hani Amouri
A series of cyclometalated N-heterocyclic carbene complexes of the general formula [Ir(C^N)2(C^C:)] has been prepared. Two sets of compounds were designed, those where (C^C:) represents a bidentate naphthalimide-substituted imidazolylidene ligand and (C^N) = ppy (3a), F2ppy (4a), bzq (5a) and those where (C^C:) represents a naphthalimide-substituted benzimidazolylidene ligand and (C^N) = ppy (3b), F2ppy (4b), bzq (5b). The naphthalimide-imidazole and naphthalimide-benzimidazole ligands 1a,b and the related imidazolium and benzimidazolium salts 2a,b were also prepared and fully characterized...
February 12, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
keyword
keyword
46641
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"