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Items: 1 to 50 of 274

1.

An updated scoring system for prediction of survival after resection of colorectal liver metastases: addition of KRAS status as an important risk modifier.

Jost E, Major D, Dixon E.

Hepatobiliary Surg Nutr. 2020 Feb;9(1):70-72. doi: 10.21037/hbsn.2019.06.06. No abstract available.

2.

Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.

Syntrivanis LD, Némethová I, Schmid D, Levi S, Prescimone A, Bissegger F, Major DT, Tiefenbacher K.

J Am Chem Soc. 2020 Mar 25;142(12):5894-5900. doi: 10.1021/jacs.0c01464. Epub 2020 Mar 16.

PMID:
32134641
3.

Understanding the role of active site residues in CotB2 catalysis using a cluster model.

Raz K, Driller R, Brück T, Loll B, Major DT.

Beilstein J Org Chem. 2020 Jan 8;16:50-59. doi: 10.3762/bjoc.16.7. eCollection 2020.

4.

Content reporting of exercise interventions in rotator cuff disease trials: results from application of the Consensus on Exercise Reporting Template (CERT).

Major DH, Røe Y, Grotle M, Jessup RL, Farmer C, Småstuen MC, Buchbinder R.

BMJ Open Sport Exerc Med. 2019 Dec 22;5(1):e000656. doi: 10.1136/bmjsem-2019-000656. eCollection 2019.

5.

Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Solution.

Kannath S, Adamczyk P, Ferro-Costas D, Fernández-Ramos A, Major DT, Dybala-Defratyka A.

J Chem Theory Comput. 2020 Feb 11;16(2):847-859. doi: 10.1021/acs.jctc.9b00774. Epub 2020 Jan 21.

PMID:
31904954
6.

Current understanding and biotechnological application of the bacterial diterpene synthase CotB2.

Driller R, Garbe D, Mehlmer N, Fuchs M, Raz K, Major DT, Brück T, Loll B.

Beilstein J Org Chem. 2019 Oct 2;15:2355-2368. doi: 10.3762/bjoc.15.228. eCollection 2019. Review.

7.

Developing effective nurse leadership skills.

Major D.

Nurs Stand. 2019 May 24;34(6):61-66. doi: 10.7748/ns.2019.e11247.

PMID:
31468933
8.

Cobalt accumulation in horses following repeated administration of cobalt chloride.

Wenzel RG, Major D, Hesp KF, Hall E, Doble P.

Aust Vet J. 2019 Nov;97(11):465-472. doi: 10.1111/avj.12872. Epub 2019 Aug 16.

PMID:
31418855
9.

EnzyDock: Protein-Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes.

Das S, Shimshi M, Raz K, Nitoker Eliaz N, Mhashal AR, Ansbacher T, Major DT.

J Chem Theory Comput. 2019 Sep 10;15(9):5116-5134. doi: 10.1021/acs.jctc.9b00366. Epub 2019 Aug 27.

PMID:
31386808
10.

Discovering Monoterpene Catalysis Inside Nanocapsules with Multiscale Modeling and Experiments.

Pahima E, Zhang Q, Tiefenbacher K, Major DT.

J Am Chem Soc. 2019 Apr 17;141(15):6234-6246. doi: 10.1021/jacs.8b13411. Epub 2019 Apr 5.

PMID:
30907083
11.

Crystal structure of LepI, a multifunctional SAM-dependent enzyme which catalyzes pericyclic reactions in leporin biosynthesis.

Chang Z, Ansbacher T, Zhang L, Yang Y, Ko TP, Zhang G, Liu W, Huang JW, Dai L, Guo RT, Major DT, Chen CC.

Org Biomol Chem. 2019 Feb 20;17(8):2070-2076. doi: 10.1039/c8ob02758g.

PMID:
30628619
12.

Endogenous Dynamic Nuclear Polarization for Natural Abundance 17O and Lithium NMR in the Bulk of Inorganic Solids.

Wolf T, Kumar S, Singh H, Chakrabarty T, Aussenac F, Frenkel AI, Major DT, Leskes M.

J Am Chem Soc. 2019 Jan 9;141(1):451-462. doi: 10.1021/jacs.8b11015. Epub 2018 Dec 26.

PMID:
30525555
13.

Deep Sequential Segmentation of Organs in Volumetric Medical Scans.

Novikov AA, Major D, Wimmer M, Lenis D, Buhler K.

IEEE Trans Med Imaging. 2019 May;38(5):1207-1215. doi: 10.1109/TMI.2018.2881678. Epub 2018 Nov 16.

PMID:
30452352
14.

Evolutionary Effects on Bound Substrate p Ka in Dihydrofolate Reductase.

Mhashal AR, Pshetitsky Y, Cheatum CM, Kohen A, Major DT.

J Am Chem Soc. 2018 Dec 5;140(48):16650-16660. doi: 10.1021/jacs.8b09089. Epub 2018 Nov 19.

PMID:
30398861
15.

Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis.

Driller R, Janke S, Fuchs M, Warner E, Mhashal AR, Major DT, Christmann M, Brück T, Loll B.

Nat Commun. 2018 Sep 28;9(1):3971. doi: 10.1038/s41467-018-06325-8.

16.

Understanding the Role of Minor Molybdenum Doping in LiNi0.5Co0.2Mn0.3O2 Electrodes: from Structural and Surface Analyses and Theoretical Modeling to Practical Electrochemical Cells.

Breuer O, Chakraborty A, Liu J, Kravchuk T, Burstein L, Grinblat J, Kauffman Y, Gladkih A, Nayak P, Tsubery M, Frenkel AI, Talianker M, Major DT, Markovsky B, Aurbach D.

ACS Appl Mater Interfaces. 2018 Sep 5;10(35):29608-29621. doi: 10.1021/acsami.8b09795. Epub 2018 Aug 23.

PMID:
30095889
17.

Effect of Asp122 Mutation on the Hydride Transfer in E. coli DHFR Demonstrates the Goldilocks of Enzyme Flexibility.

Mhashal AR, Pshetitsky Y, Eitan R, Cheatum CM, Kohen A, Major DT.

J Phys Chem B. 2018 Aug 23;122(33):8006-8017. doi: 10.1021/acs.jpcb.8b05556. Epub 2018 Aug 9.

PMID:
30040418
18.

Behind Closed Doors: The Stigma of Suicide Loss Survivors.

Sheehan L, Corrigan PW, Al-Khouja MA, Lewy SA, Major DR, Mead J, Redmon M, Rubey CT, Weber S.

Omega (Westport). 2018 Sep;77(4):330-349. doi: 10.1177/0030222816674215. Epub 2016 Dec 14.

PMID:
30035704
19.

Fully automatic cross-modality localization and labeling of vertebral bodies and intervertebral discs in 3D spinal images.

Wimmer M, Major D, Novikov AA, Bühler K.

Int J Comput Assist Radiol Surg. 2018 Oct;13(10):1591-1603. doi: 10.1007/s11548-018-1818-3. Epub 2018 Jul 19.

PMID:
30027302
20.

A promising drug candidate for the treatment of glaucoma based on a P2Y6-receptor agonist.

Jacob TF, Singh V, Dixit M, Ginsburg-Shmuel T, Fonseca B, Pintor J, Youdim MBH, Major DT, Weinreb O, Fischer B.

Purinergic Signal. 2018 Sep;14(3):271-284. doi: 10.1007/s11302-018-9614-7. Epub 2018 Jul 17.

21.

Fully Convolutional Architectures for Multiclass Segmentation in Chest Radiographs.

Novikov AA, Lenis D, Major D, Hladuvka J, Wimmer M, Buhler K.

IEEE Trans Med Imaging. 2018 Aug;37(8):1865-1876. doi: 10.1109/TMI.2018.2806086. Epub 2018 Feb 26.

PMID:
29994439
22.

Comparison of single radial immunodiffusion, SDS-PAGE and HPLC potency assays for inactivated influenza vaccines shows differences in ability to predict immunogenicity of haemagglutinin antigen.

Engelhardt OG, Edge C, Dunleavy U, Guilfoyle K, Harvey R, Major D, Newman R, Penn R, Skeldon S, Storey C, Wheeler J, Wood J, Minor P.

Vaccine. 2018 Jul 5;36(29):4339-4345. doi: 10.1016/j.vaccine.2018.05.076. Epub 2018 Jun 9.

23.

Comment on "Substrate Folding Modes in Trichodiene Synthase: A Determinant of Chemo- and Stereoselectivity".

Dixit M, Weitman M, Gao J, Major DT.

ACS Catal. 2018;8(2):1371-1375. doi: 10.1021/acscatal.7b02823. Epub 2017 Oct 9.

24.

Slow-Starter Enzymes: Role of Active-Site Architecture in the Catalytic Control of the Biosynthesis of Taxadiene by Taxadiene Synthase.

Ansbacher T, Freud Y, Major DT.

Biochemistry. 2018 Jul 3;57(26):3773-3779. doi: 10.1021/acs.biochem.8b00452. Epub 2018 Jun 19.

PMID:
29791145
25.

Determination of vitamin B12 in equine urine by liquid chromatography - inductively coupled plasma - mass spectrometry.

Wenzel R, Major D, Hesp K, Doble P.

J Trace Elem Med Biol. 2018 Dec;50:634-639. doi: 10.1016/j.jtemb.2018.05.005. Epub 2018 May 9.

PMID:
29773468
26.

Identification of the binding site between bovine serum albumin and ultrasmall SiC fluorescent biomarkers.

Dravecz G, Jánosi TZ, Beke D, Major DÁ, Károlyházy G, Erostyák J, Kamarás K, Gali Á.

Phys Chem Chem Phys. 2018 May 16;20(19):13419-13429. doi: 10.1039/c8cp02144a.

PMID:
29722404
27.

Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA.

Das S, Nam K, Major DT.

J Chem Theory Comput. 2018 Mar 13;14(3):1695-1705. doi: 10.1021/acs.jctc.7b00964. Epub 2018 Mar 1.

PMID:
29446946
28.

Chemical Control in the Battle against Fidelity in Promiscuous Natural Product Biosynthesis: The Case of Trichodiene Synthase.

Dixit M, Weitman M, Gao J, Major DT.

ACS Catal. 2017 Jan 6;7(1):812-818. doi: 10.1021/acscatal.6b02584. Epub 2016 Dec 2.

29.

Shaping Polyyne Rods by Using an Electric Field.

Rozental E, Altus E, Major DT, Hoz S.

ChemistryOpen. 2017 Sep 12;6(6):733-738. doi: 10.1002/open.201700132. eCollection 2017 Dec.

30.

A surprising substituent effect in corroles on the electrochemical activation of oxygen reduction.

Levy N, Shpilman JS, Honig HC, Major DT, Elbaz L.

Chem Commun (Camb). 2017 Nov 30;53(96):12942-12945. doi: 10.1039/c7cc06920k.

PMID:
29155903
31.

Ex vivo comparison of single-layer and double-layer laparoscopic closure of equine bladders with 2 types of barbed sutures.

Major DS, Duff AH, Cohen ND, Hardy J.

Vet Surg. 2017 Nov;46(8):1145-1153. doi: 10.1111/vsu.12719. Epub 2017 Oct 3.

PMID:
28972268
32.

The role of the Met20 loop in the hydride transfer in Escherichia coli dihydrofolate reductase.

Mhashal AR, Vardi-Kilshtain A, Kohen A, Major DT.

J Biol Chem. 2017 Aug 25;292(34):14229-14239. doi: 10.1074/jbc.M117.777136. Epub 2017 Jun 15.

33.

Microfluidic high performance liquid chromatography-chip hyphenation to inductively coupled plasma-mass spectrometry.

Bishop DP, Blanes L, Wilson AB, Wilbanks T, Killeen K, Grimm R, Wenzel R, Major D, Macka M, Clarke D, Schmid R, Cole N, Doble PA.

J Chromatogr A. 2017 May 12;1497:64-69. doi: 10.1016/j.chroma.2017.03.025. Epub 2017 Mar 19.

PMID:
28385265
34.

Automated Anatomy-Based Tracking of Systemic Arteries in Arbitrary Field-of-View CTA Scans.

Novikov AA, Major D, Wimmer M, Sluiter G, Buhler K.

IEEE Trans Med Imaging. 2017 Jun;36(6):1359-1371. doi: 10.1109/TMI.2017.2679981. Epub 2017 Mar 9.

PMID:
28362584
35.

Insight into the Stigma of Suicide Loss Survivors: Factor Analyses of Family Stereotypes, Prejudices, and Discriminations.

Corrigan PW, Sheehan L, Al-Khouja MA, Lewy S, Major DR, Mead J, Redmon M, Rubey CT, Weber S.

Arch Suicide Res. 2018 Jan-Mar;22(1):57-66. doi: 10.1080/13811118.2016.1275993. Epub 2017 Jan 27.

PMID:
28010177
36.

Frequency and Determinants of a Short-Interval Follow-up Recommendation After an Abnormal Screening Mammogram.

Pelletier E, Daigle JM, Defay F, Major D, Guertin MH, Brisson J.

Can Assoc Radiol J. 2016 Nov;67(4):322-329. doi: 10.1016/j.carj.2015.11.001. Epub 2016 May 18.

37.
38.

Practical Aspects of Multiscale Classical and Quantum Simulations of Enzyme Reactions.

Dixit M, Das S, Mhashal AR, Eitan R, Major DT.

Methods Enzymol. 2016;577:251-86. doi: 10.1016/bs.mie.2016.05.046. Epub 2016 Jul 1. Review.

PMID:
27498641
39.

Improved Sugar Puckering Profiles for Nicotinamide Ribonucleoside for Hybrid QM/MM Simulations.

Pshetitsky Y, Eitan R, Verner G, Kohen A, Major DT.

J Chem Theory Comput. 2016 Oct 11;12(10):5179-5189. Epub 2016 Sep 2.

PMID:
27490188
40.

First principles model calculations of the biosynthetic pathway in selinadiene synthase.

Das S, Dixit M, Major DT.

Bioorg Med Chem. 2016 Oct 15;24(20):4867-4870. doi: 10.1016/j.bmc.2016.07.002. Epub 2016 Jul 4.

PMID:
27427398
41.

Nucleoside-2',3'/3',5'-bis(thio)phosphate antioxidants are also capable of disassembly of amyloid beta42-Zn(ii)/Cu(ii) aggregates via Zn(ii)/Cu(ii)-chelation.

Hevroni BL, Major DT, Dixit M, Mhashal AR, Das S, Fischer B.

Org Biomol Chem. 2016 May 18;14(20):4640-53. doi: 10.1039/c6ob00613b.

PMID:
27109038
42.

Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.

Guo Q, Gakhar L, Wickersham K, Francis K, Vardi-Kilshtain A, Major DT, Cheatum CM, Kohen A.

Biochemistry. 2016 May 17;55(19):2760-71. doi: 10.1021/acs.biochem.6b00181. Epub 2016 May 3.

43.

Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective.

Singh V, Major DT.

Inorg Chem. 2016 Apr 4;55(7):3307-15. doi: 10.1021/acs.inorgchem.5b02426. Epub 2016 Mar 24.

PMID:
27010797
44.

Is it True That the Normal Valence-Length Correlation Is Irrelevant for Metal-Metal Bonds?

Singh V, Dixit M, Kosa M, Major DT, Levi E, Aurbach D.

Chemistry. 2016 Apr 4;22(15):5269-76. doi: 10.1002/chem.201504161. Epub 2016 Mar 1.

PMID:
26929001
45.

Thermodynamic and kinetic studies of LiNi0.5Co0.2Mn0.3O2 as a positive electrode material for Li-ion batteries using first principles.

Dixit M, Kosa M, Lavi OS, Markovsky B, Aurbach D, Major DT.

Phys Chem Chem Phys. 2016 Mar 7;18(9):6799-812. doi: 10.1039/c5cp07128c. Epub 2016 Feb 15.

PMID:
26878345
46.

Commentary on Paper: "Controlling the misuse of cobalt in horses".

Major D, Wenzel R.

Drug Test Anal. 2016 Aug;8(8):880-1. doi: 10.1002/dta.1901. Epub 2016 Jan 15. No abstract available.

PMID:
26767604
47.

A combined computational and experimental investigation of Mg doped α-Fe2O3.

Kosa M, Barad HN, Singh V, Keller DA, Shimanovich K, Rühle S, Anderson AY, Zaban A, Major DT.

Phys Chem Chem Phys. 2016 Jan 14;18(2):781-91. doi: 10.1039/c5cp05987a.

PMID:
26625981
48.

Putting DFT to the test: a first-principles study of electronic, magnetic, and optical properties of Co3O4.

Singh V, Kosa M, Majhi K, Major DT.

J Chem Theory Comput. 2015 Jan 13;11(1):64-72. doi: 10.1021/ct500770m.

PMID:
26574204
49.

Magnetism in olivine-type LiCo(1-x)Fe(x)PO4 cathode materials: bridging theory and experiment.

Singh V, Gershinsky Y, Kosa M, Dixit M, Zitoun D, Major DT.

Phys Chem Chem Phys. 2015 Dec 14;17(46):31202-15. doi: 10.1039/c5cp04871k.

PMID:
26548581
50.

Smoldering Remediation of Coal-Tar-Contaminated Soil: Pilot Field Tests of STAR.

Scholes GC, Gerhard JI, Grant GP, Major DW, Vidumsky JE, Switzer C, Torero JL.

Environ Sci Technol. 2015 Dec 15;49(24):14334-42. doi: 10.1021/acs.est.5b03177. Epub 2015 Nov 16.

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