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https://www.readbyqxmd.com/read/29148724/photooxidation-of-aniline-derivatives-can-be-activated-by-freezing-their-aqueous-solutions
#1
Pablo Corrochano, Dana Nachtigallová, Petr Klán
A combined experimental and computational approach was used to investigate the spectroscopic properties of three different aniline derivatives (aniline, N,N-dimethylaniline, and N,N-diethylaniline) in aqueous solutions and at the air-ice interface in the temperature range of 243-298 K. The absorption and diffuse reflectance spectra of ice samples prepared by different techniques, such as slow or shock freezing of the aqueous solutions or vapor deposition on ice grains, exhibited unequivocal bathochromic shifts of 10-15 nm of the absorption maxima of anilines in frozen samples compared to those in liquid aqueous solutions...
November 17, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/29146698/characterization-of-site-specifically-conjugated-monomethyl-auristatin-e-and-duocarmycin-based-anti-psma-antibody-drug-conjugates-for-treatment-of-psma-expressing-tumors
#2
Susanne Lütje, Danny Gerrits, Janneke D Molkenboer-Kuenen, Ken Herrmann, Giulio Fracasso, Marco Colombatti, Otto C Boerman, Sandra Heskamp
Rationale: Prostate cancer (PCa) is the most common cancer in men worldwide. In general, PCa responds poorly to chemotherapy. Therefore, antibody-drug conjugates (ADCs) have been developed to specifically deliver highly cytotoxic drugs to the tumor. As the prostate-specific membrane antigen (PSMA) is overexpressed in PCa, it represents a promising target for ADC-based therapies. The aim of this study was to evaluate the therapeutic efficacy of site-specifically conjugated duocarmycin- and monomethyl auristatin E (MMAE)-based anti-PSMA ADCs with drug-antibody ratios (DARs) of 2 and 4...
November 16, 2017: Journal of Nuclear Medicine: Official Publication, Society of Nuclear Medicine
https://www.readbyqxmd.com/read/29145853/molecular-characterization-of-%C3%AE-lactamase-genes-in-clinical-isolates-of-carbapenem-resistant-acinetobacter-baumannii
#3
Kevin M Raible, Bhaswati Sen, Nancy Law, Tiffany E Bias, Christopher L Emery, Garth D Ehrlich, Suresh G Joshi
BACKGROUND: Acinetobacter baumannii is a nosocomial pathogen which is establishing as a major cause of morbidity and mortality within the healthcare community. The success of this pathogen is largely due to its ability to rapidly gain resistance to antimicrobial therapies and its capability to persist in an abiotic environment through the production of a biofilm. Our tertiary-care hospital has showed high incidence of carbapenem-resistant Acinetobacter baumannii (CRAB) isolates. METHODS: In this study we explore both genotypic and phenotypic properties of 26 CRAB isolates: 16 isolates were collected from January 2010 to March 2011, and 10 were collected between February and May 2015...
November 16, 2017: Annals of Clinical Microbiology and Antimicrobials
https://www.readbyqxmd.com/read/29144725/inhibition-of-acinetobacter-derived-cephalosporinase-adc-exploring-the-carboxylate-recognition-site-using-novel-%C3%AE-lactamase-inhibitors
#4
Emilia Caselli, Chiara Romagnoli, Rachel A Powers, Magdalena A Taracila, Alexandra A Bouza, Hollister C Swanson, Kali A Smolen, Francesco Fini, Bradley J Wallar, Robert A Bonomo, Fabio Prati
Boronic acids are attracting a lot of attention as -lactamase inhibitors, and in particular compound S02030 (Ki = 44 nM) proved to be a good lead compound against ADC-7 (Acinetobacter Derived Cephalosporinase), one of the most significant resistance determinants in A. baumannii. The atomic structure of the ADC-7/S02030 complex highlighted the importance of critical structural determinants for recognition of the boronic acids. Herein, to elucidate the role in recognition of the R2-carboxylate, which mimics the C3/C4 found in -lactams, we designed, synthesized, and characterized six derivatives of S02030 (3a)...
November 16, 2017: ACS Infectious Diseases
https://www.readbyqxmd.com/read/29144724/structure-based-analysis-of-boronic-acids-as-inhibitors-of-acinetobacter-derived-cephalosporinase-7-adc-7-a-unique-class-c-%C3%AE-lactamase
#5
Alexandra A Bouza, Hollister C Swanson, Kali A Smolen, Alison L VanDine, Magdalena A Taracila, Chiara Romagnoli, Emilia Caselli, Fabio Prati, Robert A Bonomo, Rachel A Powers, Bradley J Wallar
Acinetobacter baumannii is a multidrug resistant pathogen that infects more than 12,000 patients each year in the US. Much of the resistance to β-lactam antibiotics in Acinetobacter spp. is a result of class C β-lactamases known as Acinetobacter-derived cephalosporinases (ADCs). ADCs are unaffected by clinically used -lactam-based β-lactamase inhibitors. In this study, five boronic acid transition state analog inhibitors (BATSIs) were evaluated for inhibition of the class C cephalosporinase ADC-7. Our goal was to explore the properties of BATSIs designed to probe the R1 binding site...
November 16, 2017: ACS Infectious Diseases
https://www.readbyqxmd.com/read/29144153/intravoxel-incoherent-motion-diffusion-weighted-mr-imaging-for-differentiation-of-benign-and-malignant-musculoskeletal-tumors-at-3-t
#6
Hyun Kyong Lim, Won-Hee Jee, Joon-Yong Jung, Mun Young Paek, InSeong Kim, Chan-Kwon Jung, Yang-Guk Chung
OBJECTIVE: To evaluate the intravoxel incoherent motion (IVIM) diffusion-weighted (DW) magnetic resonance imaging (MRI) for differentiating between benign and malignant musculoskeletal tumors at 3 T. METHODS: Sixty-five patients with treatment-naïve musculoskeletal tumors (47 malignant and 23 benign lesions) who underwent 3 T MRI including IVIM DW imaging were included. IVIM-derived parameters included pure diffusion coefficient (D), perfusion related incoherent microcirculation (D*, pseudodiffusion coefficient), and perfusion fraction (f)...
November 16, 2017: British Journal of Radiology
https://www.readbyqxmd.com/read/29144012/uterine-cervical-adenocarcinoma-associated-with-lobular-endocervical-glandular-hyperplasia-radiologic-pathologic-correlation
#7
Ayumi Ohya, Shiho Asaka, Yasunari Fujinaga, Masumi Kadoya
AIM: We aimed to identify the radiologic features of uterine cervical adenocarcinoma associated with lobular endocervical glandular hyperplasia (LEGH). METHODS: We retrospectively analyzed magnetic resonance (MR) images and pathologic findings of eight patients who underwent preoperative MR imaging followed by surgical resection and who were pathologically diagnosed with adenocarcinoma (except for adenocarcinoma in situ) associated with LEGH. We assessed the following MR findings: multicystic component (MC), solid component (SC), signal intensity of SC on diffusion-weighted imaging (DWI) and the apparent diffusion coefficient (ADC) map, and radiological stage (r-stage) based on the FIGO classification...
November 16, 2017: Journal of Obstetrics and Gynaecology Research
https://www.readbyqxmd.com/read/29143106/nonsuppressing-normal-thymus-on-chemical-shift-mr-imaging-and-anterior-mediastinal-lymphoma-differentiation-with-diffusion-weighted-mr-imaging-by-using-the-apparent-diffusion-coefficient
#8
Adriano Massimiliano Priola, Sandro Massimo Priola, Dario Gned, Maria Teresa Giraudo, Andrea Veltri
OBJECTIVES: To prospectively evaluate usefulness of the apparent diffusion coefficient (ADC) in differentiating anterior mediastinal lymphoma from nonsuppressing normal thymus on chemical-shift MR, and to look at the relationship between patient age and ADC. METHODS: Seventy-three young subjects (25 men, 48 women; age range, 9-29 years), who underwent chemical-shift MR and diffusion-weighted MR were divided into a normal thymus group (group A, 40 subjects), and a lymphoma group (group B, 33 patients)...
November 15, 2017: European Radiology
https://www.readbyqxmd.com/read/29143105/application-of-dwibs-in-malignant-lymphoma-correlation-between-adc-values-and-ki-67-index
#9
Mengtian Sun, Jingliang Cheng, Yong Zhang, Jie Bai, Feifei Wang, Yun Meng, Zhenqian Li
OBJECTIVES: We investigated the correlation between the apparent diffusion coefficient (ADC) and Ki-67 index using diffusion-weighted whole-body imaging with background body signal suppression (DWIBS), and their utility in evaluating malignant lymphoma cell proliferation. MATERIALS AND METHODS: Seventy-four patients with malignant lymphoma underwent DWIBS within 1 week before pathological confirmation. The ADC value was measured at the site of the pathological examination, and specimens were also stained with Ki-67...
November 15, 2017: European Radiology
https://www.readbyqxmd.com/read/29142456/secretory-carcinoma-impact-of-translocation-and-gene-fusions-on-salivary-gland-tumor
#10
Ryoko Inaki, Masanobu Abe, Liang Zong, Takahiro Abe, Aya Shinozaki-Ushiku, Tetsuo Ushiku, Kazuto Hoshi
Secretory carcinoma (SC), previously described as mammary analogue secretory carcinoma (MASC), is a recently described salivary gland tumor which morphologically resembles mammary secretory carcinoma. The first description of SC/MASC, reported by Skálová et al. in 2010, was as a rare salivary carcinoma imitating secretory carcinoma of the breast. SC/MASC is a unique salivary gland tumor with morphological overlap with acinic cell carcinoma (AciCC), mucoepidermoid carcinoma (MEC), and adenocarcinoma not otherwise specified (ADC-NOS)...
October 2017: Chinese Journal of Cancer Research, Chung-kuo Yen Cheng Yen Chiu
https://www.readbyqxmd.com/read/29142069/cat-02-106-a-site-specifically-conjugated-anti-cd22-antibody-bearing-an-mdr1-resistant-maytansine-payload-yields-excellent-efficacy-and-safety-in-preclinical-models
#11
Penelope M Drake, Adam Carlson, Jesse M McFarland, Stefanie Banas, Robyn M Barfield, Wesley Zmolek, Yun Cheol Kim, Betty C B Huang, Romas Kudirka, David Rabuka
Hematologically-derived tumors make up ~10% of all newly-diagnosed cancer cases in the U.S. Of these, the non-Hodgkin lymphoma (NHL) designation describes a diverse group of cancers that collectively rank among the top 10 most commonly diagnosed cancers worldwide. Although long-term survival trends are improving, there remains a significant unmet clinical need for treatments to help patients with relapsed or refractory disease, one cause of which is drug efflux through upregulation of xenobiotic pumps, such as MDR1...
November 15, 2017: Molecular Cancer Therapeutics
https://www.readbyqxmd.com/read/29141638/diffusion-weighted-imaging-of-the-brains-of-dogs-with-idiopathic-epilepsy
#12
Antje Hartmann, Steffen Sager, Klaus Failing, Marion Sparenberg, Martin J Schmidt
BACKGROUND: Idiopathic epilepsy is one of the most common neurological disorders in dogs. Unfortunately, up to 30% of dogs with idiopathic epilepsy show no improvement under antiepileptic drug treatment. Diffusion-weighted imaging is used in human medicine to identify epileptogenic foci in the brain to allow for more invasive treatments such as deep brain stimulation or surgical removal. The aim of this study was to ass the feasibility of interictal diffusion-weighted MRI in dogs and to evaluate the distribution of diffusion in the brains of dogs with idiopathic epilepsy (IE) and to compare these values to previously published values from healthy beagle dogs...
November 15, 2017: BMC Veterinary Research
https://www.readbyqxmd.com/read/29141511/a-multimodal-mri-study-of-recovery-of-consciousness-in-severe-traumatic-brain-injury-preliminary-results
#13
Ang Yang, Xue Hong Xiao, Zhong Hua Liu, Zhi Long Wan, Ze Yan Wang
Accurate and reliable assessment of the conscious state of patients with severe TBI is vital for their future management. The purpose of the present study is to find an effective and accurate magnetic resonance imaging (MRI) method for predicting recovery of consciousness in patients with severe traumatic brain injury (TBI). Multimodal MR techniques, including structural MRI, magnetic resonance spectroscopy (MRS), diffusion tensor imaging (DTI), were used to evaluate brain damage in 58 patients with severe TBI...
November 15, 2017: Journal of Neurotrauma
https://www.readbyqxmd.com/read/29141436/surface-hopping-dynamics-including-intersystem-crossing-using-the-algebraic-diagrammatic-construction-method
#14
Sebastian Mai, Felix Plasser, Mathias Pabst, Frank Neese, Andreas Köhn, Leticia González
We report an implementation for employing the algebraic diagrammatic construction to second order [ADC(2)] ab initio electronic structure level of theory in nonadiabatic dynamics simulations in the framework of the SHARC (surface hopping including arbitrary couplings) dynamics method. The implementation is intended to enable computationally efficient, reliable, and easy-to-use nonadiabatic dynamics simulations of intersystem crossing in organic molecules. The methodology is evaluated for the 2-thiouracil molecule...
November 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29141363/-characteristics-of-high-resolution-diffusion-weighted-imaging-apparent-diffusion-coefficient-histogram-and-its-correlations-with-cancer-stages-in-patients-with-nasopharyngeal-carcinoma
#15
G J Wang, Y Wang, Y Ye, F Chen, Y T Lu, S L Li
Objective: To investigate the features of apparent diffusion coefficient (ADC) histogram parameters based on entire tumor volume data in high resolution diffusion weighted imaging of nasopharyngeal carcinoma (NPC) and to evaluate its correlations with cancer stages. Methods: This retrospective study included 154 cases of NPC patients[102 males and 52 females, mean age (48±11) years]who had received readout segmentation of long variable echo trains of MRI scan before radiation therapy. The area of tumor was delineated on each section of axial ADC maps to generate ADC histogram by using Image J...
November 7, 2017: Zhonghua Yi Xue za Zhi [Chinese medical journal]
https://www.readbyqxmd.com/read/29140697/accurate-excited-state-geometries-a-caspt2-and-coupled-cluster-reference-database-for-small-molecules
#16
Simon Budzak, Giovanni Scalmani, Denis Jacquemin
We present an investigation of the excited-state structural parameters determined for a large set of small compounds with the dual goals of defining reference values for further works and assessing the quality of the geometries obtained with relatively cheap computational approaches. In the first stage, we compare the excited-state geometries obtained with ADC(2), CC2, CCSD, CCSDR(3), CC3 and CASPT2 and large atomic basis sets. It is found that CASPT2 and CC3 results are generally in very good agreement with one another (typical differences of ca...
November 15, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29139039/genetic-screening-and-molecular-characterization-of-met-alterations-in-non-small-cell-lung-cancer
#17
M Saigi, A McLeer-Florin, E Pros, E Nadal, E Brambilla, M Sanchez-Cespedes
PURPOSE: Aberrant activation of MET as a result of exon 14-skipping (METex14) mutations or gene amplification is an oncogenic mechanism in non-small cell lung carcinoma (NSCLC) and a potential therapeutic target. The purpose of this study was to characterize MET alterations in a cohort of NSCLC patients treated with surgery. METHODS AND PATIENTS: 157 NSCLCs of various histopathologies, including pulmonary sarcomatoid carcinomas (PSC), were tested for MET alterations...
November 14, 2017: Clinical & Translational Oncology
https://www.readbyqxmd.com/read/29137496/preoperative-quantitative-dynamic-contrast-enhanced-mri-and-diffusion-weighted-imaging-predict-aggressive-disease-in-endometrial-cancer
#18
Kristine E Fasmer, Atle Bjørnerud, Sigmund Ytre-Hauge, Renate Grüner, Ingvild L Tangen, Henrica Mj Werner, Line Bjørge, Øyvind O Salvesen, Jone Trovik, Camilla Krakstad, Ingfrid S Haldorsen
Background Quantitative dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) and diffusion-weighted imaging (DWI) may yield preoperative tumor biomarkers relevant for prognosis and therapy in cancer. Purpose To explore the value of preoperative DCE-MRI and DWI for the prediction of aggressive disease in endometrial cancer patients. Material and Methods Preoperative MRI (1.5-T) from 177 patients were analyzed and imaging parameters reflecting tumor microvasculature (from DCE-MRI) and tumor microstructure (from DWI) were estimated...
January 1, 2017: Acta Radiologica
https://www.readbyqxmd.com/read/29134565/prognostic-value-of-fdg-pet-and-dwi-in-breast-cancer
#19
Kazuhiro Kitajima, Yasuo Miyoshi, Toshiko Yamano, Soichi Odawara, Tomoko Higuchi, Koichiro Yamakado
OBJECTIVE: To investigate the prognostic value of preoperative FDG-PET/CT and diffusion weighted imaging (DWI) in patients with breast cancer. METHODS: A total of 73 patients with newly diagnosed invasive breast cancer who had undergone preoperative whole-body FDG-PET/CT and 3-Tesla breast MRI including DWI followed by surgery were identified. Effects of primary tumor PET parameters [maximum standardized uptake value (SUVmax), mean SUV (SUVmean), metabolic tumor volume (MTV), and total lesion glycolysis (TLG)] and DWI parameters [mean apparent diffusion coefficient (ADCmean) and minimum ADC (ADCmin)] including clinicopathologic factors on disease-free survival (DFS) were retrospectively evaluated using the log-rank and Cox methods...
November 13, 2017: Annals of Nuclear Medicine
https://www.readbyqxmd.com/read/29134357/apparent-diffusion-coefficient-of-vertebral-haemangiomas-allows-differentiation-from-malignant-focal-deposits-in-whole-body-diffusion-weighted-mri
#20
Jessica M Winfield, Gabriele Poillucci, Matthew D Blackledge, David J Collins, Vallari Shah, Nina Tunariu, Martin F Kaiser, Christina Messiou
OBJECTIVES: The aim of this study was to identify apparent diffusion coefficient (ADC) values for typical haemangiomas in the spine and to compare them with active malignant focal deposits. METHODS: This was a retrospective single-institution study. Whole-body magnetic resonance imaging (MRI) scans of 106 successive patients with active multiple myeloma, metastatic prostate or breast cancer were analysed. ADC values of typical vertebral haemangiomas and malignant focal deposits were recorded...
November 13, 2017: European Radiology
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